USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1007 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 89 SER OG : rot 114:sc= 0.33 USER MOD Set 1.2: A 90 LYS NZ :NH3+ -162:sc= 0.211 (180deg=0) USER MOD Set 2.1: A 45 TYR OH : rot 180:sc= 0.935 USER MOD Set 2.2: A 57 THR OG1 : rot -59:sc= 1.71 USER MOD Set 3.1: A 17 SER OG : rot 75:sc= 0.0481 USER MOD Set 3.2: A 20 GLN : amide:sc= 0.998 K(o=1,f=-6.3!) USER MOD Set 4.1: A 4 THR OG1 : rot 180:sc= 1.08 USER MOD Set 4.2: A 7 SER OG : rot 66:sc= 1.25 USER MOD Single : A 8 SER OG : rot -146:sc= -1.26 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.26 USER MOD Single : A 12 HIS : no HD1:sc= -1.57 X(o=-1.6,f=-1.7) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.322 K(o=-0.32,f=-1.1) USER MOD Single : A 21 LYS NZ :NH3+ -112:sc= 0.66 (180deg=-0.00117) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -179:sc= -4.49! (180deg=-4.51!) USER MOD Single : A 28 LYS NZ :NH3+ 170:sc= -0.0265 (180deg=-0.231) USER MOD Single : A 29 LYS NZ :NH3+ -163:sc= -0.0631 (180deg=-0.396) USER MOD Single : A 32 LYS NZ :NH3+ 129:sc= 1.27 (180deg=0.758) USER MOD Single : A 34 LYS NZ :NH3+ -145:sc= 1.26 (180deg=0.826) USER MOD Single : A 35 LYS NZ :NH3+ 156:sc= -2.26! (180deg=-2.84!) USER MOD Single : A 40 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.041) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 TYR OH : rot -109:sc= -0.42! USER MOD Single : A 53 LYS NZ :NH3+ -165:sc= -0.0255 (180deg=-0.256) USER MOD Single : A 54 LYS NZ :NH3+ -158:sc= 1.25 (180deg=1.11) USER MOD Single : A 59 HIS : no HD1:sc= 1.06 K(o=1.1,f=-4!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -171:sc= 1.07 (180deg=0.848) USER MOD Single : A 70 HIS : no HD1:sc= -0.0945 X(o=-0.095,f=0) USER MOD Single : A 76 LYS NZ :NH3+ -138:sc= 0.313 (180deg=-0.773) USER MOD Single : A 81 LYS NZ :NH3+ -173:sc= -0.0014 (180deg=-0.0947) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot -25:sc= 0.255 USER MOD Single : A 94 LYS NZ :NH3+ -125:sc= 0.525 (180deg=0.0284) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 HIS : no HD1:sc= -0.0662 X(o=-0.066,f=-0.022) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ -157:sc= 0.0659 (180deg=-0.759!) USER MOD Single : A 111 GLN : amide:sc= -0.0607 X(o=-0.061,f=-0.55) USER MOD Single : A 112 TYR OH : rot 180:sc= -0.371 USER MOD Single : A 121 LYS NZ :NH3+ -116:sc= 1.26 (180deg=-0.0217) USER MOD Single : A 122 LYS NZ :NH3+ -134:sc= -1.41 (180deg=-3.94!) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 105 N PHE A 3 -3.348 4.592 -11.519 1.00 1.08 N ATOM 106 CA PHE A 3 -2.744 4.463 -10.205 1.00 0.89 C ATOM 107 C PHE A 3 -2.074 5.765 -9.796 1.00 0.90 C ATOM 108 O PHE A 3 -0.865 5.940 -9.951 1.00 1.22 O ATOM 109 CB PHE A 3 -1.743 3.303 -10.178 1.00 0.94 C ATOM 110 CG PHE A 3 -2.381 1.962 -10.418 1.00 0.86 C ATOM 111 CD1 PHE A 3 -3.086 1.327 -9.409 1.00 0.90 C ATOM 112 CD2 PHE A 3 -2.286 1.343 -11.653 1.00 0.97 C ATOM 113 CE1 PHE A 3 -3.683 0.102 -9.631 1.00 0.97 C ATOM 114 CE2 PHE A 3 -2.877 0.118 -11.879 1.00 0.99 C ATOM 115 CZ PHE A 3 -3.577 -0.505 -10.867 1.00 0.96 C ATOM 0 HA PHE A 3 -3.533 4.244 -9.485 1.00 0.89 H new ATOM 0 HB2 PHE A 3 -0.978 3.475 -10.935 1.00 0.94 H new ATOM 0 HB3 PHE A 3 -1.238 3.290 -9.212 1.00 0.94 H new ATOM 0 HD1 PHE A 3 -3.170 1.795 -8.439 1.00 0.90 H new ATOM 0 HD2 PHE A 3 -1.741 1.827 -12.450 1.00 0.97 H new ATOM 0 HE1 PHE A 3 -4.233 -0.382 -8.838 1.00 0.97 H new ATOM 0 HE2 PHE A 3 -2.792 -0.353 -12.847 1.00 0.99 H new ATOM 0 HZ PHE A 3 -4.041 -1.465 -11.041 1.00 0.96 H new ATOM 125 N THR A 4 -2.877 6.675 -9.277 1.00 0.74 N ATOM 126 CA THR A 4 -2.370 7.936 -8.778 1.00 0.76 C ATOM 127 C THR A 4 -2.524 7.941 -7.268 1.00 0.71 C ATOM 128 O THR A 4 -3.419 7.275 -6.754 1.00 0.76 O ATOM 129 CB THR A 4 -3.119 9.142 -9.389 1.00 0.77 C ATOM 130 OG1 THR A 4 -4.517 9.075 -9.072 1.00 0.68 O ATOM 131 CG2 THR A 4 -2.942 9.179 -10.900 1.00 0.96 C ATOM 0 H THR A 4 -3.887 6.562 -9.191 1.00 0.74 H new ATOM 0 HA THR A 4 -1.323 8.034 -9.063 1.00 0.76 H new ATOM 0 HB THR A 4 -2.696 10.051 -8.962 1.00 0.77 H new ATOM 0 HG1 THR A 4 -4.979 9.845 -9.464 1.00 0.68 H new ATOM 0 HG21 THR A 4 -3.478 10.036 -11.308 1.00 0.96 H new ATOM 0 HG22 THR A 4 -1.882 9.266 -11.140 1.00 0.96 H new ATOM 0 HG23 THR A 4 -3.339 8.262 -11.335 1.00 0.96 H new ATOM 139 N LEU A 5 -1.642 8.626 -6.556 1.00 0.74 N ATOM 140 CA LEU A 5 -1.673 8.624 -5.095 1.00 0.77 C ATOM 141 C LEU A 5 -3.069 8.873 -4.518 1.00 0.67 C ATOM 142 O LEU A 5 -3.558 8.062 -3.729 1.00 0.73 O ATOM 143 CB LEU A 5 -0.705 9.673 -4.542 1.00 0.91 C ATOM 144 CG LEU A 5 -0.629 9.743 -3.013 1.00 1.02 C ATOM 145 CD1 LEU A 5 -0.003 8.477 -2.445 1.00 1.67 C ATOM 146 CD2 LEU A 5 0.148 10.971 -2.573 1.00 1.67 C ATOM 0 H LEU A 5 -0.896 9.191 -6.962 1.00 0.74 H new ATOM 0 HA LEU A 5 -1.369 7.624 -4.787 1.00 0.77 H new ATOM 0 HB2 LEU A 5 0.292 9.466 -4.931 1.00 0.91 H new ATOM 0 HB3 LEU A 5 -0.998 10.652 -4.921 1.00 0.91 H new ATOM 0 HG LEU A 5 -1.644 9.823 -2.624 1.00 1.02 H new ATOM 0 HD11 LEU A 5 0.041 8.549 -1.358 1.00 1.67 H new ATOM 0 HD12 LEU A 5 -0.606 7.614 -2.728 1.00 1.67 H new ATOM 0 HD13 LEU A 5 1.005 8.360 -2.842 1.00 1.67 H new ATOM 0 HD21 LEU A 5 0.191 11.003 -1.484 1.00 1.67 H new ATOM 0 HD22 LEU A 5 1.160 10.925 -2.975 1.00 1.67 H new ATOM 0 HD23 LEU A 5 -0.349 11.868 -2.943 1.00 1.67 H new ATOM 158 N GLU A 6 -3.717 9.965 -4.956 1.00 0.60 N ATOM 159 CA GLU A 6 -5.110 10.264 -4.582 1.00 0.58 C ATOM 160 C GLU A 6 -5.998 9.023 -4.756 1.00 0.59 C ATOM 161 O GLU A 6 -6.924 8.839 -3.966 1.00 0.61 O ATOM 162 CB GLU A 6 -5.657 11.412 -5.427 1.00 0.62 C ATOM 163 CG GLU A 6 -7.019 11.893 -4.965 1.00 0.87 C ATOM 164 CD GLU A 6 -7.636 12.892 -5.917 1.00 1.35 C ATOM 165 OE1 GLU A 6 -8.207 12.465 -6.942 1.00 1.68 O ATOM 166 OE2 GLU A 6 -7.545 14.112 -5.648 1.00 1.80 O ATOM 0 H GLU A 6 -3.296 10.659 -5.573 1.00 0.60 H new ATOM 0 HA GLU A 6 -5.121 10.559 -3.533 1.00 0.58 H new ATOM 0 HB2 GLU A 6 -4.954 12.245 -5.396 1.00 0.62 H new ATOM 0 HB3 GLU A 6 -5.725 11.090 -6.466 1.00 0.62 H new ATOM 0 HG2 GLU A 6 -7.686 11.037 -4.860 1.00 0.87 H new ATOM 0 HG3 GLU A 6 -6.925 12.347 -3.979 1.00 0.87 H new ATOM 173 N SER A 7 -5.760 8.187 -5.758 1.00 0.59 N ATOM 174 CA SER A 7 -6.697 7.108 -6.093 1.00 0.63 C ATOM 175 C SER A 7 -6.973 6.143 -4.931 1.00 0.62 C ATOM 176 O SER A 7 -7.924 5.367 -4.995 1.00 0.78 O ATOM 177 CB SER A 7 -6.194 6.319 -7.307 1.00 0.67 C ATOM 178 OG SER A 7 -6.172 7.131 -8.471 1.00 1.14 O ATOM 0 H SER A 7 -4.933 8.229 -6.353 1.00 0.59 H new ATOM 0 HA SER A 7 -7.642 7.598 -6.325 1.00 0.63 H new ATOM 0 HB2 SER A 7 -5.193 5.937 -7.107 1.00 0.67 H new ATOM 0 HB3 SER A 7 -6.837 5.455 -7.475 1.00 0.67 H new ATOM 0 HG SER A 7 -5.509 7.844 -8.360 1.00 1.14 H new ATOM 184 N SER A 8 -6.166 6.169 -3.876 1.00 0.53 N ATOM 185 CA SER A 8 -6.364 5.249 -2.763 1.00 0.52 C ATOM 186 C SER A 8 -7.117 5.843 -1.563 1.00 0.48 C ATOM 187 O SER A 8 -7.685 5.108 -0.771 1.00 0.48 O ATOM 188 CB SER A 8 -5.036 4.656 -2.320 1.00 0.57 C ATOM 189 OG SER A 8 -4.086 5.676 -2.074 1.00 1.02 O ATOM 0 H SER A 8 -5.379 6.808 -3.768 1.00 0.53 H new ATOM 0 HA SER A 8 -7.013 4.464 -3.149 1.00 0.52 H new ATOM 0 HB2 SER A 8 -5.181 4.063 -1.417 1.00 0.57 H new ATOM 0 HB3 SER A 8 -4.660 3.981 -3.088 1.00 0.57 H new ATOM 0 HG SER A 8 -3.193 5.357 -2.320 1.00 1.02 H new ATOM 195 N LEU A 9 -7.058 7.170 -1.404 1.00 0.47 N ATOM 196 CA LEU A 9 -7.409 7.853 -0.156 1.00 0.46 C ATOM 197 C LEU A 9 -8.762 7.518 0.484 1.00 0.46 C ATOM 198 O LEU A 9 -8.924 7.552 1.701 1.00 0.42 O ATOM 199 CB LEU A 9 -7.278 9.357 -0.352 1.00 0.49 C ATOM 200 CG LEU A 9 -5.838 9.883 -0.374 1.00 0.49 C ATOM 201 CD1 LEU A 9 -5.159 9.646 0.958 1.00 1.04 C ATOM 202 CD2 LEU A 9 -5.020 9.243 -1.465 1.00 0.78 C ATOM 0 H LEU A 9 -6.762 7.805 -2.146 1.00 0.47 H new ATOM 0 HA LEU A 9 -6.694 7.463 0.568 1.00 0.46 H new ATOM 0 HB2 LEU A 9 -7.763 9.630 -1.289 1.00 0.49 H new ATOM 0 HB3 LEU A 9 -7.821 9.861 0.447 1.00 0.49 H new ATOM 0 HG LEU A 9 -5.899 10.953 -0.571 1.00 0.49 H new ATOM 0 HD11 LEU A 9 -4.139 10.027 0.919 1.00 1.04 H new ATOM 0 HD12 LEU A 9 -5.710 10.163 1.744 1.00 1.04 H new ATOM 0 HD13 LEU A 9 -5.139 8.577 1.171 1.00 1.04 H new ATOM 0 HD21 LEU A 9 -4.007 9.645 -1.444 1.00 0.78 H new ATOM 0 HD22 LEU A 9 -4.986 8.165 -1.309 1.00 0.78 H new ATOM 0 HD23 LEU A 9 -5.474 9.455 -2.433 1.00 0.78 H new ATOM 214 N ASP A 10 -9.732 7.232 -0.378 1.00 0.51 N ATOM 215 CA ASP A 10 -11.059 6.816 0.081 1.00 0.53 C ATOM 216 C ASP A 10 -11.239 5.318 -0.045 1.00 0.54 C ATOM 217 O ASP A 10 -12.300 4.779 0.282 1.00 0.57 O ATOM 218 CB ASP A 10 -12.159 7.527 -0.711 1.00 0.57 C ATOM 219 CG ASP A 10 -12.367 8.956 -0.263 1.00 0.78 C ATOM 220 OD1 ASP A 10 -12.924 9.162 0.835 1.00 0.77 O ATOM 221 OD2 ASP A 10 -11.987 9.884 -1.008 1.00 1.32 O ATOM 0 H ASP A 10 -9.629 7.279 -1.392 1.00 0.51 H new ATOM 0 HA ASP A 10 -11.138 7.093 1.132 1.00 0.53 H new ATOM 0 HB2 ASP A 10 -11.904 7.516 -1.771 1.00 0.57 H new ATOM 0 HB3 ASP A 10 -13.093 6.976 -0.602 1.00 0.57 H new ATOM 226 N THR A 11 -10.215 4.638 -0.503 1.00 0.54 N ATOM 227 CA THR A 11 -10.275 3.205 -0.640 1.00 0.56 C ATOM 228 C THR A 11 -9.129 2.516 0.096 1.00 0.53 C ATOM 229 O THR A 11 -9.203 2.261 1.296 1.00 0.53 O ATOM 230 CB THR A 11 -10.286 2.777 -2.124 1.00 0.62 C ATOM 231 OG1 THR A 11 -9.266 3.480 -2.851 1.00 0.59 O ATOM 232 CG2 THR A 11 -11.642 3.048 -2.758 1.00 0.69 C ATOM 0 H THR A 11 -9.329 5.056 -0.787 1.00 0.54 H new ATOM 0 HA THR A 11 -11.212 2.888 -0.182 1.00 0.56 H new ATOM 0 HB THR A 11 -10.089 1.706 -2.167 1.00 0.62 H new ATOM 0 HG1 THR A 11 -9.281 3.200 -3.790 1.00 0.59 H new ATOM 0 HG21 THR A 11 -11.624 2.738 -3.803 1.00 0.69 H new ATOM 0 HG22 THR A 11 -12.411 2.487 -2.226 1.00 0.69 H new ATOM 0 HG23 THR A 11 -11.865 4.113 -2.700 1.00 0.69 H new ATOM 240 N HIS A 12 -8.071 2.232 -0.646 1.00 0.51 N ATOM 241 CA HIS A 12 -6.919 1.525 -0.097 1.00 0.49 C ATOM 242 C HIS A 12 -6.288 2.293 1.068 1.00 0.43 C ATOM 243 O HIS A 12 -5.846 1.689 2.043 1.00 0.43 O ATOM 244 CB HIS A 12 -5.892 1.238 -1.193 1.00 0.49 C ATOM 245 CG HIS A 12 -6.508 0.711 -2.456 1.00 0.57 C ATOM 246 ND1 HIS A 12 -7.379 -0.356 -2.484 1.00 1.50 N ATOM 247 CD2 HIS A 12 -6.402 1.139 -3.736 1.00 0.90 C ATOM 248 CE1 HIS A 12 -7.781 -0.562 -3.724 1.00 1.34 C ATOM 249 NE2 HIS A 12 -7.202 0.331 -4.503 1.00 0.66 N ATOM 0 H HIS A 12 -7.983 2.479 -1.632 1.00 0.51 H new ATOM 0 HA HIS A 12 -7.270 0.572 0.300 1.00 0.49 H new ATOM 0 HB2 HIS A 12 -5.344 2.153 -1.418 1.00 0.49 H new ATOM 0 HB3 HIS A 12 -5.166 0.515 -0.821 1.00 0.49 H new ATOM 0 HD2 HIS A 12 -5.800 1.963 -4.088 1.00 0.90 H new ATOM 0 HE1 HIS A 12 -8.467 -1.331 -4.046 1.00 1.34 H new ATOM 0 HE2 HIS A 12 -7.329 0.408 -5.512 1.00 0.66 H new ATOM 258 N LEU A 13 -6.241 3.614 0.973 1.00 0.40 N ATOM 259 CA LEU A 13 -5.525 4.403 1.966 1.00 0.36 C ATOM 260 C LEU A 13 -6.447 5.217 2.872 1.00 0.34 C ATOM 261 O LEU A 13 -6.055 6.223 3.458 1.00 0.32 O ATOM 262 CB LEU A 13 -4.515 5.334 1.293 1.00 0.34 C ATOM 263 CG LEU A 13 -3.243 4.655 0.768 1.00 0.38 C ATOM 264 CD1 LEU A 13 -2.242 5.694 0.292 1.00 1.13 C ATOM 265 CD2 LEU A 13 -2.617 3.769 1.839 1.00 0.84 C ATOM 0 H LEU A 13 -6.683 4.156 0.230 1.00 0.40 H new ATOM 0 HA LEU A 13 -5.004 3.685 2.599 1.00 0.36 H new ATOM 0 HB2 LEU A 13 -5.008 5.837 0.461 1.00 0.34 H new ATOM 0 HB3 LEU A 13 -4.227 6.106 2.006 1.00 0.34 H new ATOM 0 HG LEU A 13 -3.521 4.025 -0.077 1.00 0.38 H new ATOM 0 HD11 LEU A 13 -1.346 5.194 -0.077 1.00 1.13 H new ATOM 0 HD12 LEU A 13 -2.684 6.285 -0.510 1.00 1.13 H new ATOM 0 HD13 LEU A 13 -1.976 6.350 1.121 1.00 1.13 H new ATOM 0 HD21 LEU A 13 -1.717 3.299 1.442 1.00 0.84 H new ATOM 0 HD22 LEU A 13 -2.357 4.375 2.707 1.00 0.84 H new ATOM 0 HD23 LEU A 13 -3.328 2.998 2.135 1.00 0.84 H new ATOM 277 N LYS A 14 -7.690 4.748 2.973 1.00 0.38 N ATOM 278 CA LYS A 14 -8.732 5.449 3.717 1.00 0.38 C ATOM 279 C LYS A 14 -8.477 5.420 5.219 1.00 0.35 C ATOM 280 O LYS A 14 -9.027 6.227 5.965 1.00 0.36 O ATOM 281 CB LYS A 14 -10.102 4.848 3.407 1.00 0.45 C ATOM 282 CG LYS A 14 -10.257 3.392 3.814 1.00 0.64 C ATOM 283 CD LYS A 14 -11.638 2.870 3.454 1.00 0.67 C ATOM 284 CE LYS A 14 -11.754 1.373 3.673 1.00 1.26 C ATOM 285 NZ LYS A 14 -13.110 0.863 3.334 1.00 1.69 N ATOM 0 H LYS A 14 -8.000 3.876 2.544 1.00 0.38 H new ATOM 0 HA LYS A 14 -8.714 6.491 3.398 1.00 0.38 H new ATOM 0 HB2 LYS A 14 -10.866 5.437 3.913 1.00 0.45 H new ATOM 0 HB3 LYS A 14 -10.289 4.935 2.337 1.00 0.45 H new ATOM 0 HG2 LYS A 14 -9.496 2.789 3.319 1.00 0.64 H new ATOM 0 HG3 LYS A 14 -10.095 3.291 4.887 1.00 0.64 H new ATOM 0 HD2 LYS A 14 -12.388 3.384 4.055 1.00 0.67 H new ATOM 0 HD3 LYS A 14 -11.853 3.102 2.411 1.00 0.67 H new ATOM 0 HE2 LYS A 14 -11.011 0.859 3.064 1.00 1.26 H new ATOM 0 HE3 LYS A 14 -11.529 1.140 4.714 1.00 1.26 H new ATOM 0 HZ1 LYS A 14 -13.146 -0.163 3.498 1.00 1.69 H new ATOM 0 HZ2 LYS A 14 -13.818 1.334 3.933 1.00 1.69 H new ATOM 0 HZ3 LYS A 14 -13.315 1.061 2.334 1.00 1.69 H new ATOM 299 N TRP A 15 -7.640 4.484 5.646 1.00 0.34 N ATOM 300 CA TRP A 15 -7.304 4.330 7.056 1.00 0.33 C ATOM 301 C TRP A 15 -6.329 5.418 7.502 1.00 0.29 C ATOM 302 O TRP A 15 -6.034 5.544 8.693 1.00 0.29 O ATOM 303 CB TRP A 15 -6.680 2.955 7.296 1.00 0.35 C ATOM 304 CG TRP A 15 -5.485 2.707 6.429 1.00 0.33 C ATOM 305 CD1 TRP A 15 -5.497 2.234 5.153 1.00 0.34 C ATOM 306 CD2 TRP A 15 -4.109 2.921 6.768 1.00 0.30 C ATOM 307 NE1 TRP A 15 -4.218 2.153 4.670 1.00 0.33 N ATOM 308 CE2 TRP A 15 -3.346 2.562 5.644 1.00 0.30 C ATOM 309 CE3 TRP A 15 -3.448 3.381 7.913 1.00 0.30 C ATOM 310 CZ2 TRP A 15 -1.956 2.649 5.628 1.00 0.30 C ATOM 311 CZ3 TRP A 15 -2.068 3.469 7.894 1.00 0.30 C ATOM 312 CH2 TRP A 15 -1.337 3.103 6.759 1.00 0.30 C ATOM 0 H TRP A 15 -7.178 3.815 5.031 1.00 0.34 H new ATOM 0 HA TRP A 15 -8.221 4.421 7.638 1.00 0.33 H new ATOM 0 HB2 TRP A 15 -6.389 2.870 8.343 1.00 0.35 H new ATOM 0 HB3 TRP A 15 -7.427 2.183 7.109 1.00 0.35 H new ATOM 0 HD1 TRP A 15 -6.385 1.962 4.602 1.00 0.34 H new ATOM 0 HE1 TRP A 15 -3.957 1.839 3.735 1.00 0.33 H new ATOM 0 HE3 TRP A 15 -4.005 3.662 8.795 1.00 0.30 H new ATOM 0 HZ2 TRP A 15 -1.388 2.368 4.754 1.00 0.30 H new ATOM 0 HZ3 TRP A 15 -1.546 3.826 8.770 1.00 0.30 H new ATOM 0 HH2 TRP A 15 -0.260 3.181 6.777 1.00 0.30 H new ATOM 323 N LEU A 16 -5.838 6.203 6.549 1.00 0.28 N ATOM 324 CA LEU A 16 -4.987 7.338 6.868 1.00 0.26 C ATOM 325 C LEU A 16 -5.853 8.473 7.402 1.00 0.27 C ATOM 326 O LEU A 16 -6.997 8.665 6.983 1.00 0.31 O ATOM 327 CB LEU A 16 -4.225 7.831 5.627 1.00 0.25 C ATOM 328 CG LEU A 16 -3.238 6.845 4.984 1.00 0.26 C ATOM 329 CD1 LEU A 16 -2.751 7.397 3.656 1.00 0.26 C ATOM 330 CD2 LEU A 16 -2.044 6.578 5.890 1.00 0.30 C ATOM 0 H LEU A 16 -6.015 6.073 5.553 1.00 0.28 H new ATOM 0 HA LEU A 16 -4.259 7.023 7.616 1.00 0.26 H new ATOM 0 HB2 LEU A 16 -4.956 8.121 4.872 1.00 0.25 H new ATOM 0 HB3 LEU A 16 -3.676 8.732 5.901 1.00 0.25 H new ATOM 0 HG LEU A 16 -3.763 5.903 4.826 1.00 0.26 H new ATOM 0 HD11 LEU A 16 -2.051 6.694 3.204 1.00 0.26 H new ATOM 0 HD12 LEU A 16 -3.601 7.543 2.989 1.00 0.26 H new ATOM 0 HD13 LEU A 16 -2.251 8.352 3.820 1.00 0.26 H new ATOM 0 HD21 LEU A 16 -1.367 5.876 5.403 1.00 0.30 H new ATOM 0 HD22 LEU A 16 -1.519 7.513 6.085 1.00 0.30 H new ATOM 0 HD23 LEU A 16 -2.390 6.153 6.832 1.00 0.30 H new ATOM 342 N SER A 17 -5.272 9.218 8.321 1.00 0.27 N ATOM 343 CA SER A 17 -5.950 10.377 8.870 1.00 0.30 C ATOM 344 C SER A 17 -5.747 11.569 7.943 1.00 0.33 C ATOM 345 O SER A 17 -4.817 11.557 7.136 1.00 0.34 O ATOM 346 CB SER A 17 -5.428 10.687 10.270 1.00 0.31 C ATOM 347 OG SER A 17 -5.457 9.532 11.095 1.00 1.24 O ATOM 0 H SER A 17 -4.341 9.045 8.701 1.00 0.27 H new ATOM 0 HA SER A 17 -7.016 10.166 8.949 1.00 0.30 H new ATOM 0 HB2 SER A 17 -4.408 11.066 10.205 1.00 0.31 H new ATOM 0 HB3 SER A 17 -6.032 11.474 10.720 1.00 0.31 H new ATOM 0 HG SER A 17 -4.730 8.927 10.837 1.00 1.24 H new ATOM 353 N GLN A 18 -6.600 12.581 8.038 1.00 0.36 N ATOM 354 CA GLN A 18 -6.533 13.714 7.121 1.00 0.41 C ATOM 355 C GLN A 18 -5.142 14.337 7.133 1.00 0.41 C ATOM 356 O GLN A 18 -4.577 14.616 6.076 1.00 0.42 O ATOM 357 CB GLN A 18 -7.598 14.755 7.465 1.00 0.47 C ATOM 358 CG GLN A 18 -7.707 15.878 6.444 1.00 1.19 C ATOM 359 CD GLN A 18 -7.961 15.366 5.039 1.00 1.41 C ATOM 360 OE1 GLN A 18 -8.558 14.308 4.845 1.00 1.90 O ATOM 361 NE2 GLN A 18 -7.519 16.121 4.047 1.00 1.91 N ATOM 0 H GLN A 18 -7.342 12.642 8.735 1.00 0.36 H new ATOM 0 HA GLN A 18 -6.732 13.348 6.114 1.00 0.41 H new ATOM 0 HB2 GLN A 18 -8.565 14.259 7.551 1.00 0.47 H new ATOM 0 HB3 GLN A 18 -7.372 15.184 8.441 1.00 0.47 H new ATOM 0 HG2 GLN A 18 -8.515 16.550 6.733 1.00 1.19 H new ATOM 0 HG3 GLN A 18 -6.787 16.463 6.453 1.00 1.19 H new ATOM 0 HE21 GLN A 18 -7.028 16.992 4.249 1.00 1.91 H new ATOM 0 HE22 GLN A 18 -7.669 15.832 3.080 1.00 1.91 H new ATOM 370 N GLU A 19 -4.593 14.540 8.327 1.00 0.41 N ATOM 371 CA GLU A 19 -3.271 15.101 8.467 1.00 0.42 C ATOM 372 C GLU A 19 -2.239 14.266 7.712 1.00 0.40 C ATOM 373 O GLU A 19 -1.322 14.815 7.111 1.00 0.42 O ATOM 374 CB GLU A 19 -2.898 15.183 9.935 1.00 0.41 C ATOM 375 CG GLU A 19 -3.738 16.156 10.741 1.00 1.18 C ATOM 376 CD GLU A 19 -3.251 16.275 12.168 1.00 1.79 C ATOM 377 OE1 GLU A 19 -3.439 15.318 12.951 1.00 2.49 O ATOM 378 OE2 GLU A 19 -2.665 17.320 12.513 1.00 2.01 O ATOM 0 H GLU A 19 -5.053 14.320 9.210 1.00 0.41 H new ATOM 0 HA GLU A 19 -3.277 16.103 8.039 1.00 0.42 H new ATOM 0 HB2 GLU A 19 -2.989 14.191 10.377 1.00 0.41 H new ATOM 0 HB3 GLU A 19 -1.850 15.473 10.016 1.00 0.41 H new ATOM 0 HG2 GLU A 19 -3.713 17.137 10.266 1.00 1.18 H new ATOM 0 HG3 GLU A 19 -4.777 15.827 10.738 1.00 1.18 H new ATOM 385 N GLN A 20 -2.397 12.945 7.731 1.00 0.37 N ATOM 386 CA GLN A 20 -1.474 12.061 7.027 1.00 0.36 C ATOM 387 C GLN A 20 -1.706 12.178 5.528 1.00 0.38 C ATOM 388 O GLN A 20 -0.759 12.200 4.746 1.00 0.41 O ATOM 389 CB GLN A 20 -1.658 10.609 7.473 1.00 0.33 C ATOM 390 CG GLN A 20 -1.682 10.433 8.981 1.00 0.37 C ATOM 391 CD GLN A 20 -1.832 8.983 9.394 1.00 0.77 C ATOM 392 OE1 GLN A 20 -2.941 8.469 9.499 1.00 1.57 O ATOM 393 NE2 GLN A 20 -0.719 8.325 9.658 1.00 1.04 N ATOM 0 H GLN A 20 -3.151 12.466 8.223 1.00 0.37 H new ATOM 0 HA GLN A 20 -0.454 12.361 7.265 1.00 0.36 H new ATOM 0 HB2 GLN A 20 -2.589 10.225 7.056 1.00 0.33 H new ATOM 0 HB3 GLN A 20 -0.851 10.006 7.058 1.00 0.33 H new ATOM 0 HG2 GLN A 20 -0.762 10.835 9.405 1.00 0.37 H new ATOM 0 HG3 GLN A 20 -2.505 11.013 9.398 1.00 0.37 H new ATOM 0 HE21 GLN A 20 0.184 8.789 9.558 1.00 1.04 H new ATOM 0 HE22 GLN A 20 -0.761 7.352 9.962 1.00 1.04 H new ATOM 402 N LYS A 21 -2.969 12.245 5.128 1.00 0.38 N ATOM 403 CA LYS A 21 -3.318 12.406 3.725 1.00 0.42 C ATOM 404 C LYS A 21 -2.738 13.704 3.181 1.00 0.42 C ATOM 405 O LYS A 21 -2.040 13.707 2.172 1.00 0.43 O ATOM 406 CB LYS A 21 -4.840 12.403 3.553 1.00 0.47 C ATOM 407 CG LYS A 21 -5.505 11.126 4.035 1.00 0.56 C ATOM 408 CD LYS A 21 -6.997 11.123 3.729 1.00 0.54 C ATOM 409 CE LYS A 21 -7.596 9.734 3.889 1.00 0.57 C ATOM 410 NZ LYS A 21 -9.065 9.734 3.651 1.00 0.95 N ATOM 0 H LYS A 21 -3.769 12.190 5.758 1.00 0.38 H new ATOM 0 HA LYS A 21 -2.897 11.570 3.166 1.00 0.42 H new ATOM 0 HB2 LYS A 21 -5.260 13.249 4.097 1.00 0.47 H new ATOM 0 HB3 LYS A 21 -5.078 12.551 2.500 1.00 0.47 H new ATOM 0 HG2 LYS A 21 -5.033 10.267 3.558 1.00 0.56 H new ATOM 0 HG3 LYS A 21 -5.353 11.018 5.109 1.00 0.56 H new ATOM 0 HD2 LYS A 21 -7.507 11.819 4.394 1.00 0.54 H new ATOM 0 HD3 LYS A 21 -7.161 11.476 2.711 1.00 0.54 H new ATOM 0 HE2 LYS A 21 -7.115 9.048 3.191 1.00 0.57 H new ATOM 0 HE3 LYS A 21 -7.391 9.363 4.893 1.00 0.57 H new ATOM 0 HZ1 LYS A 21 -9.561 9.536 4.543 1.00 0.95 H new ATOM 0 HZ2 LYS A 21 -9.358 10.664 3.291 1.00 0.95 H new ATOM 0 HZ3 LYS A 21 -9.304 9.001 2.952 1.00 0.95 H new ATOM 424 N ASP A 22 -3.004 14.793 3.883 1.00 0.44 N ATOM 425 CA ASP A 22 -2.511 16.113 3.499 1.00 0.46 C ATOM 426 C ASP A 22 -0.990 16.166 3.591 1.00 0.46 C ATOM 427 O ASP A 22 -0.351 16.865 2.804 1.00 0.48 O ATOM 428 CB ASP A 22 -3.109 17.169 4.433 1.00 0.49 C ATOM 429 CG ASP A 22 -2.872 18.582 3.941 1.00 0.58 C ATOM 430 OD1 ASP A 22 -3.502 18.983 2.939 1.00 0.67 O ATOM 431 OD2 ASP A 22 -2.071 19.310 4.559 1.00 0.64 O ATOM 0 H ASP A 22 -3.566 14.791 4.734 1.00 0.44 H new ATOM 0 HA ASP A 22 -2.808 16.311 2.469 1.00 0.46 H new ATOM 0 HB2 ASP A 22 -4.181 16.997 4.531 1.00 0.49 H new ATOM 0 HB3 ASP A 22 -2.676 17.057 5.427 1.00 0.49 H new ATOM 436 N GLU A 23 -0.409 15.424 4.519 1.00 0.44 N ATOM 437 CA GLU A 23 1.024 15.229 4.576 1.00 0.45 C ATOM 438 C GLU A 23 1.551 14.597 3.287 1.00 0.42 C ATOM 439 O GLU A 23 2.449 15.146 2.646 1.00 0.44 O ATOM 440 CB GLU A 23 1.340 14.340 5.768 1.00 0.47 C ATOM 441 CG GLU A 23 2.563 14.775 6.517 1.00 0.71 C ATOM 442 CD GLU A 23 2.609 14.218 7.921 1.00 0.97 C ATOM 443 OE1 GLU A 23 2.690 12.986 8.074 1.00 1.40 O ATOM 444 OE2 GLU A 23 2.541 15.016 8.882 1.00 1.43 O ATOM 0 H GLU A 23 -0.923 14.940 5.255 1.00 0.44 H new ATOM 0 HA GLU A 23 1.514 16.196 4.686 1.00 0.45 H new ATOM 0 HB2 GLU A 23 0.487 14.336 6.447 1.00 0.47 H new ATOM 0 HB3 GLU A 23 1.478 13.315 5.423 1.00 0.47 H new ATOM 0 HG2 GLU A 23 3.452 14.455 5.973 1.00 0.71 H new ATOM 0 HG3 GLU A 23 2.591 15.864 6.560 1.00 0.71 H new ATOM 451 N LEU A 24 0.998 13.452 2.906 1.00 0.40 N ATOM 452 CA LEU A 24 1.422 12.749 1.713 1.00 0.39 C ATOM 453 C LEU A 24 1.098 13.536 0.441 1.00 0.39 C ATOM 454 O LEU A 24 1.902 13.571 -0.491 1.00 0.41 O ATOM 455 CB LEU A 24 0.762 11.374 1.690 1.00 0.38 C ATOM 456 CG LEU A 24 1.497 10.288 2.481 1.00 0.50 C ATOM 457 CD1 LEU A 24 1.843 10.724 3.891 1.00 1.16 C ATOM 458 CD2 LEU A 24 0.676 9.014 2.506 1.00 1.33 C ATOM 0 H LEU A 24 0.246 12.990 3.417 1.00 0.40 H new ATOM 0 HA LEU A 24 2.506 12.635 1.739 1.00 0.39 H new ATOM 0 HB2 LEU A 24 -0.250 11.467 2.084 1.00 0.38 H new ATOM 0 HB3 LEU A 24 0.672 11.049 0.654 1.00 0.38 H new ATOM 0 HG LEU A 24 2.441 10.102 1.969 1.00 0.50 H new ATOM 0 HD11 LEU A 24 2.362 9.915 4.405 1.00 1.16 H new ATOM 0 HD12 LEU A 24 2.487 11.602 3.852 1.00 1.16 H new ATOM 0 HD13 LEU A 24 0.928 10.969 4.431 1.00 1.16 H new ATOM 0 HD21 LEU A 24 1.209 8.249 3.071 1.00 1.33 H new ATOM 0 HD22 LEU A 24 -0.286 9.210 2.979 1.00 1.33 H new ATOM 0 HD23 LEU A 24 0.515 8.665 1.486 1.00 1.33 H new ATOM 470 N LEU A 25 -0.072 14.168 0.407 1.00 0.40 N ATOM 471 CA LEU A 25 -0.458 15.005 -0.724 1.00 0.43 C ATOM 472 C LEU A 25 0.534 16.149 -0.893 1.00 0.46 C ATOM 473 O LEU A 25 0.889 16.520 -2.012 1.00 0.48 O ATOM 474 CB LEU A 25 -1.876 15.547 -0.534 1.00 0.45 C ATOM 475 CG LEU A 25 -2.985 14.490 -0.517 1.00 0.49 C ATOM 476 CD1 LEU A 25 -4.339 15.145 -0.297 1.00 1.02 C ATOM 477 CD2 LEU A 25 -2.988 13.684 -1.807 1.00 1.06 C ATOM 0 H LEU A 25 -0.769 14.116 1.150 1.00 0.40 H new ATOM 0 HA LEU A 25 -0.445 14.396 -1.628 1.00 0.43 H new ATOM 0 HB2 LEU A 25 -1.912 16.103 0.403 1.00 0.45 H new ATOM 0 HB3 LEU A 25 -2.086 16.257 -1.334 1.00 0.45 H new ATOM 0 HG LEU A 25 -2.790 13.807 0.309 1.00 0.49 H new ATOM 0 HD11 LEU A 25 -5.116 14.380 -0.288 1.00 1.02 H new ATOM 0 HD12 LEU A 25 -4.337 15.672 0.657 1.00 1.02 H new ATOM 0 HD13 LEU A 25 -4.536 15.853 -1.102 1.00 1.02 H new ATOM 0 HD21 LEU A 25 -3.784 12.941 -1.770 1.00 1.06 H new ATOM 0 HD22 LEU A 25 -3.154 14.351 -2.653 1.00 1.06 H new ATOM 0 HD23 LEU A 25 -2.028 13.182 -1.924 1.00 1.06 H new ATOM 489 N LYS A 26 0.982 16.694 0.233 1.00 0.47 N ATOM 490 CA LYS A 26 1.964 17.771 0.243 1.00 0.51 C ATOM 491 C LYS A 26 3.288 17.281 -0.323 1.00 0.49 C ATOM 492 O LYS A 26 3.925 17.966 -1.119 1.00 0.51 O ATOM 493 CB LYS A 26 2.178 18.279 1.671 1.00 0.56 C ATOM 494 CG LYS A 26 3.058 19.517 1.764 1.00 0.93 C ATOM 495 CD LYS A 26 2.344 20.765 1.266 1.00 1.62 C ATOM 496 CE LYS A 26 1.148 21.112 2.142 1.00 2.50 C ATOM 497 NZ LYS A 26 0.517 22.396 1.745 1.00 3.24 N ATOM 0 H LYS A 26 0.676 16.402 1.161 1.00 0.47 H new ATOM 0 HA LYS A 26 1.588 18.586 -0.376 1.00 0.51 H new ATOM 0 HB2 LYS A 26 1.208 18.502 2.115 1.00 0.56 H new ATOM 0 HB3 LYS A 26 2.626 17.483 2.265 1.00 0.56 H new ATOM 0 HG2 LYS A 26 3.367 19.665 2.799 1.00 0.93 H new ATOM 0 HG3 LYS A 26 3.965 19.361 1.180 1.00 0.93 H new ATOM 0 HD2 LYS A 26 3.041 21.603 1.252 1.00 1.62 H new ATOM 0 HD3 LYS A 26 2.011 20.610 0.240 1.00 1.62 H new ATOM 0 HE2 LYS A 26 0.410 20.312 2.080 1.00 2.50 H new ATOM 0 HE3 LYS A 26 1.467 21.172 3.183 1.00 2.50 H new ATOM 0 HZ1 LYS A 26 -0.292 22.592 2.368 1.00 3.24 H new ATOM 0 HZ2 LYS A 26 1.212 23.165 1.828 1.00 3.24 H new ATOM 0 HZ3 LYS A 26 0.188 22.331 0.760 1.00 3.24 H new ATOM 511 N MET A 27 3.687 16.084 0.088 1.00 0.47 N ATOM 512 CA MET A 27 4.913 15.478 -0.416 1.00 0.47 C ATOM 513 C MET A 27 4.878 15.285 -1.928 1.00 0.47 C ATOM 514 O MET A 27 5.780 15.735 -2.632 1.00 0.49 O ATOM 515 CB MET A 27 5.191 14.141 0.271 1.00 0.49 C ATOM 516 CG MET A 27 5.419 14.253 1.770 1.00 0.50 C ATOM 517 SD MET A 27 6.557 12.999 2.393 1.00 0.92 S ATOM 518 CE MET A 27 5.825 11.511 1.725 1.00 0.79 C ATOM 0 H MET A 27 3.181 15.515 0.767 1.00 0.47 H new ATOM 0 HA MET A 27 5.721 16.171 -0.183 1.00 0.47 H new ATOM 0 HB2 MET A 27 4.351 13.470 0.090 1.00 0.49 H new ATOM 0 HB3 MET A 27 6.068 13.684 -0.187 1.00 0.49 H new ATOM 0 HG2 MET A 27 5.813 15.243 2.001 1.00 0.50 H new ATOM 0 HG3 MET A 27 4.464 14.161 2.287 1.00 0.50 H new ATOM 0 HE1 MET A 27 6.408 10.646 2.040 1.00 0.79 H new ATOM 0 HE2 MET A 27 4.803 11.413 2.091 1.00 0.79 H new ATOM 0 HE3 MET A 27 5.817 11.566 0.636 1.00 0.79 H new ATOM 528 N LYS A 28 3.832 14.638 -2.429 1.00 0.45 N ATOM 529 CA LYS A 28 3.693 14.412 -3.864 1.00 0.49 C ATOM 530 C LYS A 28 3.679 15.735 -4.627 1.00 0.54 C ATOM 531 O LYS A 28 4.281 15.865 -5.694 1.00 0.58 O ATOM 532 CB LYS A 28 2.411 13.629 -4.151 1.00 0.50 C ATOM 533 CG LYS A 28 2.126 13.470 -5.633 1.00 0.79 C ATOM 534 CD LYS A 28 0.989 12.500 -5.890 1.00 1.41 C ATOM 535 CE LYS A 28 0.620 12.462 -7.363 1.00 1.82 C ATOM 536 NZ LYS A 28 1.791 12.164 -8.230 1.00 2.44 N ATOM 0 H LYS A 28 3.070 14.261 -1.865 1.00 0.45 H new ATOM 0 HA LYS A 28 4.551 13.831 -4.202 1.00 0.49 H new ATOM 0 HB2 LYS A 28 2.486 12.642 -3.694 1.00 0.50 H new ATOM 0 HB3 LYS A 28 1.570 14.136 -3.678 1.00 0.50 H new ATOM 0 HG2 LYS A 28 1.878 14.441 -6.061 1.00 0.79 H new ATOM 0 HG3 LYS A 28 3.025 13.118 -6.140 1.00 0.79 H new ATOM 0 HD2 LYS A 28 1.277 11.502 -5.559 1.00 1.41 H new ATOM 0 HD3 LYS A 28 0.119 12.792 -5.302 1.00 1.41 H new ATOM 0 HE2 LYS A 28 -0.150 11.707 -7.523 1.00 1.82 H new ATOM 0 HE3 LYS A 28 0.191 13.421 -7.653 1.00 1.82 H new ATOM 0 HZ1 LYS A 28 1.466 11.981 -9.201 1.00 2.44 H new ATOM 0 HZ2 LYS A 28 2.439 12.977 -8.229 1.00 2.44 H new ATOM 0 HZ3 LYS A 28 2.287 11.325 -7.867 1.00 2.44 H new ATOM 550 N LYS A 29 3.003 16.717 -4.049 1.00 0.55 N ATOM 551 CA LYS A 29 2.890 18.040 -4.649 1.00 0.62 C ATOM 552 C LYS A 29 4.236 18.766 -4.678 1.00 0.64 C ATOM 553 O LYS A 29 4.534 19.497 -5.623 1.00 0.72 O ATOM 554 CB LYS A 29 1.856 18.862 -3.878 1.00 0.62 C ATOM 555 CG LYS A 29 1.636 20.260 -4.427 1.00 1.13 C ATOM 556 CD LYS A 29 0.586 21.007 -3.621 1.00 1.57 C ATOM 557 CE LYS A 29 0.460 22.453 -4.074 1.00 2.08 C ATOM 558 NZ LYS A 29 1.727 23.205 -3.875 1.00 2.69 N ATOM 0 H LYS A 29 2.520 16.621 -3.156 1.00 0.55 H new ATOM 0 HA LYS A 29 2.566 17.920 -5.683 1.00 0.62 H new ATOM 0 HB2 LYS A 29 0.906 18.328 -3.885 1.00 0.62 H new ATOM 0 HB3 LYS A 29 2.172 18.938 -2.838 1.00 0.62 H new ATOM 0 HG2 LYS A 29 2.575 20.813 -4.408 1.00 1.13 H new ATOM 0 HG3 LYS A 29 1.323 20.199 -5.469 1.00 1.13 H new ATOM 0 HD2 LYS A 29 -0.377 20.507 -3.724 1.00 1.57 H new ATOM 0 HD3 LYS A 29 0.849 20.978 -2.564 1.00 1.57 H new ATOM 0 HE2 LYS A 29 0.182 22.481 -5.128 1.00 2.08 H new ATOM 0 HE3 LYS A 29 -0.343 22.939 -3.519 1.00 2.08 H new ATOM 0 HZ1 LYS A 29 1.535 24.226 -3.916 1.00 2.69 H new ATOM 0 HZ2 LYS A 29 2.131 22.966 -2.947 1.00 2.69 H new ATOM 0 HZ3 LYS A 29 2.403 22.950 -4.623 1.00 2.69 H new ATOM 572 N ASP A 30 5.052 18.551 -3.655 1.00 0.62 N ATOM 573 CA ASP A 30 6.313 19.278 -3.530 1.00 0.66 C ATOM 574 C ASP A 30 7.448 18.554 -4.258 1.00 0.65 C ATOM 575 O ASP A 30 8.593 19.004 -4.280 1.00 0.69 O ATOM 576 CB ASP A 30 6.660 19.481 -2.051 1.00 0.67 C ATOM 577 CG ASP A 30 7.819 20.438 -1.833 1.00 1.33 C ATOM 578 OD1 ASP A 30 7.599 21.668 -1.885 1.00 1.32 O ATOM 579 OD2 ASP A 30 8.955 19.964 -1.632 1.00 2.14 O ATOM 0 H ASP A 30 4.868 17.885 -2.904 1.00 0.62 H new ATOM 0 HA ASP A 30 6.191 20.254 -4.000 1.00 0.66 H new ATOM 0 HB2 ASP A 30 5.782 19.859 -1.527 1.00 0.67 H new ATOM 0 HB3 ASP A 30 6.905 18.516 -1.607 1.00 0.67 H new ATOM 584 N GLY A 31 7.103 17.430 -4.869 1.00 0.62 N ATOM 585 CA GLY A 31 8.048 16.738 -5.715 1.00 0.62 C ATOM 586 C GLY A 31 8.853 15.705 -4.967 1.00 0.61 C ATOM 587 O GLY A 31 9.958 15.352 -5.372 1.00 0.63 O ATOM 0 H GLY A 31 6.187 16.987 -4.793 1.00 0.62 H new ATOM 0 HA2 GLY A 31 7.512 16.253 -6.531 1.00 0.62 H new ATOM 0 HA3 GLY A 31 8.725 17.464 -6.165 1.00 0.62 H new ATOM 591 N LYS A 32 8.307 15.244 -3.855 1.00 0.59 N ATOM 592 CA LYS A 32 8.883 14.131 -3.138 1.00 0.58 C ATOM 593 C LYS A 32 8.712 12.880 -3.982 1.00 0.56 C ATOM 594 O LYS A 32 7.706 12.722 -4.681 1.00 0.55 O ATOM 595 CB LYS A 32 8.202 13.969 -1.779 1.00 0.57 C ATOM 596 CG LYS A 32 8.408 15.163 -0.859 1.00 0.63 C ATOM 597 CD LYS A 32 9.762 15.121 -0.171 1.00 0.76 C ATOM 598 CE LYS A 32 9.744 14.171 1.013 1.00 1.15 C ATOM 599 NZ LYS A 32 11.072 14.074 1.671 1.00 1.65 N ATOM 0 H LYS A 32 7.462 15.628 -3.432 1.00 0.59 H new ATOM 0 HA LYS A 32 9.943 14.307 -2.957 1.00 0.58 H new ATOM 0 HB2 LYS A 32 7.134 13.816 -1.931 1.00 0.57 H new ATOM 0 HB3 LYS A 32 8.586 13.073 -1.292 1.00 0.57 H new ATOM 0 HG2 LYS A 32 8.322 16.084 -1.435 1.00 0.63 H new ATOM 0 HG3 LYS A 32 7.619 15.182 -0.107 1.00 0.63 H new ATOM 0 HD2 LYS A 32 10.525 14.806 -0.882 1.00 0.76 H new ATOM 0 HD3 LYS A 32 10.034 16.122 0.166 1.00 0.76 H new ATOM 0 HE2 LYS A 32 9.004 14.510 1.738 1.00 1.15 H new ATOM 0 HE3 LYS A 32 9.432 13.181 0.679 1.00 1.15 H new ATOM 0 HZ1 LYS A 32 10.965 14.229 2.694 1.00 1.65 H new ATOM 0 HZ2 LYS A 32 11.474 13.130 1.504 1.00 1.65 H new ATOM 0 HZ3 LYS A 32 11.708 14.796 1.277 1.00 1.65 H new ATOM 613 N ALA A 33 9.688 12.006 -3.924 1.00 0.56 N ATOM 614 CA ALA A 33 9.680 10.787 -4.716 1.00 0.55 C ATOM 615 C ALA A 33 8.632 9.822 -4.190 1.00 0.52 C ATOM 616 O ALA A 33 8.357 9.814 -2.994 1.00 0.50 O ATOM 617 CB ALA A 33 11.046 10.124 -4.692 1.00 0.59 C ATOM 0 H ALA A 33 10.510 12.114 -3.330 1.00 0.56 H new ATOM 0 HA ALA A 33 9.436 11.052 -5.745 1.00 0.55 H new ATOM 0 HB1 ALA A 33 11.019 9.213 -5.291 1.00 0.59 H new ATOM 0 HB2 ALA A 33 11.789 10.807 -5.104 1.00 0.59 H new ATOM 0 HB3 ALA A 33 11.312 9.875 -3.665 1.00 0.59 H new ATOM 623 N LYS A 34 8.059 9.006 -5.069 1.00 0.53 N ATOM 624 CA LYS A 34 7.072 8.013 -4.654 1.00 0.51 C ATOM 625 C LYS A 34 7.634 7.154 -3.524 1.00 0.51 C ATOM 626 O LYS A 34 6.909 6.773 -2.609 1.00 0.48 O ATOM 627 CB LYS A 34 6.673 7.125 -5.836 1.00 0.56 C ATOM 628 CG LYS A 34 5.548 6.151 -5.514 1.00 1.21 C ATOM 629 CD LYS A 34 5.226 5.250 -6.698 1.00 1.64 C ATOM 630 CE LYS A 34 4.737 6.048 -7.896 1.00 2.21 C ATOM 631 NZ LYS A 34 4.408 5.169 -9.049 1.00 2.97 N ATOM 0 H LYS A 34 8.259 9.012 -6.069 1.00 0.53 H new ATOM 0 HA LYS A 34 6.185 8.537 -4.296 1.00 0.51 H new ATOM 0 HB2 LYS A 34 6.367 7.758 -6.668 1.00 0.56 H new ATOM 0 HB3 LYS A 34 7.546 6.562 -6.168 1.00 0.56 H new ATOM 0 HG2 LYS A 34 5.831 5.539 -4.658 1.00 1.21 H new ATOM 0 HG3 LYS A 34 4.656 6.708 -5.227 1.00 1.21 H new ATOM 0 HD2 LYS A 34 6.115 4.684 -6.976 1.00 1.64 H new ATOM 0 HD3 LYS A 34 4.465 4.526 -6.408 1.00 1.64 H new ATOM 0 HE2 LYS A 34 3.855 6.623 -7.614 1.00 2.21 H new ATOM 0 HE3 LYS A 34 5.503 6.765 -8.192 1.00 2.21 H new ATOM 0 HZ1 LYS A 34 4.653 5.654 -9.936 1.00 2.97 H new ATOM 0 HZ2 LYS A 34 4.950 4.284 -8.977 1.00 2.97 H new ATOM 0 HZ3 LYS A 34 3.391 4.953 -9.042 1.00 2.97 H new ATOM 645 N LYS A 35 8.929 6.873 -3.588 1.00 0.54 N ATOM 646 CA LYS A 35 9.602 6.081 -2.561 1.00 0.56 C ATOM 647 C LYS A 35 9.508 6.734 -1.179 1.00 0.53 C ATOM 648 O LYS A 35 9.729 6.076 -0.163 1.00 0.55 O ATOM 649 CB LYS A 35 11.072 5.870 -2.935 1.00 0.61 C ATOM 650 CG LYS A 35 11.254 5.231 -4.301 1.00 1.17 C ATOM 651 CD LYS A 35 10.499 3.919 -4.388 1.00 1.56 C ATOM 652 CE LYS A 35 10.342 3.455 -5.820 1.00 2.18 C ATOM 653 NZ LYS A 35 9.290 2.418 -5.931 1.00 2.82 N ATOM 0 H LYS A 35 9.539 7.183 -4.344 1.00 0.54 H new ATOM 0 HA LYS A 35 9.094 5.118 -2.509 1.00 0.56 H new ATOM 0 HB2 LYS A 35 11.586 6.831 -2.919 1.00 0.61 H new ATOM 0 HB3 LYS A 35 11.546 5.242 -2.181 1.00 0.61 H new ATOM 0 HG2 LYS A 35 10.900 5.911 -5.076 1.00 1.17 H new ATOM 0 HG3 LYS A 35 12.314 5.059 -4.488 1.00 1.17 H new ATOM 0 HD2 LYS A 35 11.027 3.157 -3.815 1.00 1.56 H new ATOM 0 HD3 LYS A 35 9.515 4.035 -3.933 1.00 1.56 H new ATOM 0 HE2 LYS A 35 10.089 4.304 -6.455 1.00 2.18 H new ATOM 0 HE3 LYS A 35 11.290 3.057 -6.183 1.00 2.18 H new ATOM 0 HZ1 LYS A 35 8.916 2.406 -6.901 1.00 2.82 H new ATOM 0 HZ2 LYS A 35 9.695 1.487 -5.704 1.00 2.82 H new ATOM 0 HZ3 LYS A 35 8.520 2.632 -5.265 1.00 2.82 H new ATOM 667 N GLU A 36 9.184 8.021 -1.139 1.00 0.51 N ATOM 668 CA GLU A 36 9.059 8.741 0.116 1.00 0.50 C ATOM 669 C GLU A 36 7.625 8.682 0.641 1.00 0.44 C ATOM 670 O GLU A 36 7.354 8.741 1.840 1.00 0.45 O ATOM 671 CB GLU A 36 9.527 10.181 -0.066 1.00 0.53 C ATOM 672 CG GLU A 36 10.897 10.249 -0.708 1.00 0.61 C ATOM 673 CD GLU A 36 11.478 11.643 -0.741 1.00 0.68 C ATOM 674 OE1 GLU A 36 12.078 12.065 0.270 1.00 0.85 O ATOM 675 OE2 GLU A 36 11.359 12.314 -1.783 1.00 0.66 O ATOM 0 H GLU A 36 9.003 8.587 -1.968 1.00 0.51 H new ATOM 0 HA GLU A 36 9.695 8.263 0.862 1.00 0.50 H new ATOM 0 HB2 GLU A 36 8.809 10.722 -0.683 1.00 0.53 H new ATOM 0 HB3 GLU A 36 9.554 10.680 0.903 1.00 0.53 H new ATOM 0 HG2 GLU A 36 11.577 9.593 -0.165 1.00 0.61 H new ATOM 0 HG3 GLU A 36 10.832 9.867 -1.727 1.00 0.61 H new ATOM 682 N LEU A 37 6.726 8.513 -0.326 1.00 0.39 N ATOM 683 CA LEU A 37 5.343 8.214 -0.046 1.00 0.36 C ATOM 684 C LEU A 37 5.219 6.783 0.453 1.00 0.36 C ATOM 685 O LEU A 37 4.551 6.512 1.452 1.00 0.35 O ATOM 686 CB LEU A 37 4.532 8.392 -1.324 1.00 0.37 C ATOM 687 CG LEU A 37 4.368 9.831 -1.834 1.00 0.41 C ATOM 688 CD1 LEU A 37 3.435 10.608 -0.931 1.00 1.22 C ATOM 689 CD2 LEU A 37 5.686 10.576 -1.971 1.00 1.01 C ATOM 0 H LEU A 37 6.945 8.581 -1.320 1.00 0.39 H new ATOM 0 HA LEU A 37 4.966 8.888 0.723 1.00 0.36 H new ATOM 0 HB2 LEU A 37 5.001 7.802 -2.111 1.00 0.37 H new ATOM 0 HB3 LEU A 37 3.539 7.973 -1.160 1.00 0.37 H new ATOM 0 HG LEU A 37 3.942 9.752 -2.834 1.00 0.41 H new ATOM 0 HD11 LEU A 37 3.329 11.626 -1.306 1.00 1.22 H new ATOM 0 HD12 LEU A 37 2.458 10.124 -0.914 1.00 1.22 H new ATOM 0 HD13 LEU A 37 3.844 10.634 0.079 1.00 1.22 H new ATOM 0 HD21 LEU A 37 5.497 11.586 -2.336 1.00 1.01 H new ATOM 0 HD22 LEU A 37 6.178 10.627 -1.000 1.00 1.01 H new ATOM 0 HD23 LEU A 37 6.330 10.050 -2.676 1.00 1.01 H new ATOM 701 N GLU A 38 5.905 5.881 -0.245 1.00 0.39 N ATOM 702 CA GLU A 38 5.970 4.471 0.130 1.00 0.43 C ATOM 703 C GLU A 38 6.576 4.320 1.517 1.00 0.43 C ATOM 704 O GLU A 38 6.360 3.331 2.197 1.00 0.45 O ATOM 705 CB GLU A 38 6.822 3.693 -0.873 1.00 0.57 C ATOM 706 CG GLU A 38 6.271 3.675 -2.289 1.00 1.35 C ATOM 707 CD GLU A 38 7.242 3.039 -3.270 1.00 2.06 C ATOM 708 OE1 GLU A 38 8.053 2.191 -2.842 1.00 2.72 O ATOM 709 OE2 GLU A 38 7.226 3.407 -4.465 1.00 2.49 O ATOM 0 H GLU A 38 6.432 6.108 -1.088 1.00 0.39 H new ATOM 0 HA GLU A 38 4.955 4.073 0.131 1.00 0.43 H new ATOM 0 HB2 GLU A 38 7.823 4.124 -0.892 1.00 0.57 H new ATOM 0 HB3 GLU A 38 6.924 2.666 -0.524 1.00 0.57 H new ATOM 0 HG2 GLU A 38 5.329 3.127 -2.304 1.00 1.35 H new ATOM 0 HG3 GLU A 38 6.052 4.695 -2.606 1.00 1.35 H new ATOM 716 N ALA A 39 7.300 5.336 1.940 1.00 0.43 N ATOM 717 CA ALA A 39 8.014 5.296 3.201 1.00 0.45 C ATOM 718 C ALA A 39 7.200 5.807 4.377 1.00 0.42 C ATOM 719 O ALA A 39 7.253 5.240 5.471 1.00 0.44 O ATOM 720 CB ALA A 39 9.319 6.068 3.089 1.00 0.49 C ATOM 0 H ALA A 39 7.410 6.208 1.423 1.00 0.43 H new ATOM 0 HA ALA A 39 8.219 4.245 3.405 1.00 0.45 H new ATOM 0 HB1 ALA A 39 9.847 6.031 4.042 1.00 0.49 H new ATOM 0 HB2 ALA A 39 9.940 5.622 2.313 1.00 0.49 H new ATOM 0 HB3 ALA A 39 9.107 7.106 2.832 1.00 0.49 H new ATOM 726 N LYS A 40 6.438 6.868 4.148 1.00 0.39 N ATOM 727 CA LYS A 40 5.544 7.376 5.156 1.00 0.37 C ATOM 728 C LYS A 40 4.454 6.359 5.437 1.00 0.31 C ATOM 729 O LYS A 40 4.231 5.989 6.584 1.00 0.31 O ATOM 730 CB LYS A 40 4.936 8.695 4.694 1.00 0.41 C ATOM 731 CG LYS A 40 5.925 9.843 4.644 1.00 0.79 C ATOM 732 CD LYS A 40 6.407 10.234 6.029 1.00 0.64 C ATOM 733 CE LYS A 40 7.360 11.413 5.967 1.00 0.74 C ATOM 734 NZ LYS A 40 8.663 11.046 5.351 1.00 1.34 N ATOM 0 H LYS A 40 6.428 7.387 3.270 1.00 0.39 H new ATOM 0 HA LYS A 40 6.102 7.553 6.075 1.00 0.37 H new ATOM 0 HB2 LYS A 40 4.504 8.557 3.703 1.00 0.41 H new ATOM 0 HB3 LYS A 40 4.119 8.961 5.364 1.00 0.41 H new ATOM 0 HG2 LYS A 40 6.779 9.560 4.029 1.00 0.79 H new ATOM 0 HG3 LYS A 40 5.458 10.704 4.165 1.00 0.79 H new ATOM 0 HD2 LYS A 40 5.552 10.487 6.656 1.00 0.64 H new ATOM 0 HD3 LYS A 40 6.905 9.385 6.497 1.00 0.64 H new ATOM 0 HE2 LYS A 40 6.902 12.219 5.393 1.00 0.74 H new ATOM 0 HE3 LYS A 40 7.530 11.795 6.974 1.00 0.74 H new ATOM 0 HZ1 LYS A 40 9.319 11.850 5.420 1.00 1.34 H new ATOM 0 HZ2 LYS A 40 9.065 10.228 5.851 1.00 1.34 H new ATOM 0 HZ3 LYS A 40 8.518 10.803 4.350 1.00 1.34 H new ATOM 748 N ILE A 41 3.805 5.882 4.377 1.00 0.29 N ATOM 749 CA ILE A 41 2.728 4.917 4.503 1.00 0.26 C ATOM 750 C ILE A 41 3.185 3.663 5.231 1.00 0.27 C ATOM 751 O ILE A 41 2.487 3.165 6.104 1.00 0.27 O ATOM 752 CB ILE A 41 2.181 4.533 3.120 1.00 0.29 C ATOM 753 CG1 ILE A 41 1.668 5.781 2.411 1.00 0.33 C ATOM 754 CG2 ILE A 41 1.077 3.497 3.248 1.00 0.33 C ATOM 755 CD1 ILE A 41 1.239 5.534 0.990 1.00 0.39 C ATOM 0 H ILE A 41 4.013 6.154 3.416 1.00 0.29 H new ATOM 0 HA ILE A 41 1.938 5.389 5.088 1.00 0.26 H new ATOM 0 HB ILE A 41 2.985 4.093 2.529 1.00 0.29 H new ATOM 0 HG12 ILE A 41 0.825 6.186 2.971 1.00 0.33 H new ATOM 0 HG13 ILE A 41 2.450 6.540 2.419 1.00 0.33 H new ATOM 0 HG21 ILE A 41 0.703 3.239 2.257 1.00 0.33 H new ATOM 0 HG22 ILE A 41 1.471 2.603 3.731 1.00 0.33 H new ATOM 0 HG23 ILE A 41 0.263 3.905 3.848 1.00 0.33 H new ATOM 0 HD11 ILE A 41 0.886 6.466 0.549 1.00 0.39 H new ATOM 0 HD12 ILE A 41 2.085 5.158 0.415 1.00 0.39 H new ATOM 0 HD13 ILE A 41 0.435 4.798 0.975 1.00 0.39 H new ATOM 767 N LEU A 42 4.364 3.165 4.886 1.00 0.31 N ATOM 768 CA LEU A 42 4.889 1.962 5.516 1.00 0.35 C ATOM 769 C LEU A 42 5.220 2.193 6.988 1.00 0.35 C ATOM 770 O LEU A 42 5.094 1.291 7.817 1.00 0.38 O ATOM 771 CB LEU A 42 6.142 1.467 4.786 1.00 0.39 C ATOM 772 CG LEU A 42 5.903 0.844 3.409 1.00 0.40 C ATOM 773 CD1 LEU A 42 7.187 0.241 2.873 1.00 0.45 C ATOM 774 CD2 LEU A 42 4.803 -0.208 3.465 1.00 0.40 C ATOM 0 H LEU A 42 4.973 3.573 4.177 1.00 0.31 H new ATOM 0 HA LEU A 42 4.108 1.204 5.452 1.00 0.35 H new ATOM 0 HB2 LEU A 42 6.829 2.306 4.671 1.00 0.39 H new ATOM 0 HB3 LEU A 42 6.641 0.731 5.416 1.00 0.39 H new ATOM 0 HG LEU A 42 5.577 1.634 2.732 1.00 0.40 H new ATOM 0 HD11 LEU A 42 7.001 -0.198 1.893 1.00 0.45 H new ATOM 0 HD12 LEU A 42 7.945 1.019 2.784 1.00 0.45 H new ATOM 0 HD13 LEU A 42 7.539 -0.532 3.556 1.00 0.45 H new ATOM 0 HD21 LEU A 42 4.655 -0.633 2.472 1.00 0.40 H new ATOM 0 HD22 LEU A 42 5.090 -0.998 4.159 1.00 0.40 H new ATOM 0 HD23 LEU A 42 3.875 0.253 3.804 1.00 0.40 H new ATOM 786 N HIS A 43 5.645 3.410 7.307 1.00 0.35 N ATOM 787 CA HIS A 43 5.830 3.803 8.697 1.00 0.37 C ATOM 788 C HIS A 43 4.477 3.906 9.408 1.00 0.35 C ATOM 789 O HIS A 43 4.321 3.404 10.520 1.00 0.40 O ATOM 790 CB HIS A 43 6.578 5.137 8.800 1.00 0.40 C ATOM 791 CG HIS A 43 6.851 5.560 10.212 1.00 0.49 C ATOM 792 ND1 HIS A 43 7.877 5.039 10.970 1.00 1.17 N ATOM 793 CD2 HIS A 43 6.215 6.450 11.009 1.00 1.23 C ATOM 794 CE1 HIS A 43 7.857 5.584 12.171 1.00 0.93 C ATOM 795 NE2 HIS A 43 6.859 6.446 12.219 1.00 0.92 N ATOM 0 H HIS A 43 5.866 4.137 6.626 1.00 0.35 H new ATOM 0 HA HIS A 43 6.431 3.035 9.184 1.00 0.37 H new ATOM 0 HB2 HIS A 43 7.523 5.057 8.263 1.00 0.40 H new ATOM 0 HB3 HIS A 43 5.994 5.912 8.303 1.00 0.40 H new ATOM 0 HD2 HIS A 43 5.359 7.052 10.741 1.00 1.23 H new ATOM 0 HE1 HIS A 43 8.541 5.363 12.977 1.00 0.93 H new ATOM 0 HE2 HIS A 43 6.608 7.017 13.026 1.00 0.92 H new ATOM 804 N TYR A 44 3.502 4.550 8.760 1.00 0.30 N ATOM 805 CA TYR A 44 2.165 4.711 9.338 1.00 0.30 C ATOM 806 C TYR A 44 1.502 3.350 9.503 1.00 0.32 C ATOM 807 O TYR A 44 0.712 3.128 10.418 1.00 0.40 O ATOM 808 CB TYR A 44 1.291 5.613 8.458 1.00 0.31 C ATOM 809 CG TYR A 44 1.894 6.976 8.238 1.00 0.35 C ATOM 810 CD1 TYR A 44 2.685 7.558 9.214 1.00 0.42 C ATOM 811 CD2 TYR A 44 1.704 7.665 7.046 1.00 0.40 C ATOM 812 CE1 TYR A 44 3.267 8.784 9.021 1.00 0.52 C ATOM 813 CE2 TYR A 44 2.292 8.898 6.839 1.00 0.50 C ATOM 814 CZ TYR A 44 3.073 9.454 7.834 1.00 0.58 C ATOM 815 OH TYR A 44 3.682 10.670 7.638 1.00 0.68 O ATOM 0 H TYR A 44 3.613 4.968 7.836 1.00 0.30 H new ATOM 0 HA TYR A 44 2.271 5.183 10.315 1.00 0.30 H new ATOM 0 HB2 TYR A 44 1.134 5.130 7.493 1.00 0.31 H new ATOM 0 HB3 TYR A 44 0.311 5.725 8.921 1.00 0.31 H new ATOM 0 HD1 TYR A 44 2.847 7.036 10.145 1.00 0.42 H new ATOM 0 HD2 TYR A 44 1.089 7.231 6.272 1.00 0.40 H new ATOM 0 HE1 TYR A 44 3.876 9.223 9.798 1.00 0.52 H new ATOM 0 HE2 TYR A 44 2.142 9.423 5.907 1.00 0.50 H new ATOM 0 HH TYR A 44 3.007 11.380 7.655 1.00 0.68 H new ATOM 825 N TYR A 45 1.844 2.457 8.593 1.00 0.30 N ATOM 826 CA TYR A 45 1.403 1.082 8.624 1.00 0.33 C ATOM 827 C TYR A 45 1.951 0.369 9.861 1.00 0.40 C ATOM 828 O TYR A 45 1.219 -0.300 10.587 1.00 0.42 O ATOM 829 CB TYR A 45 1.886 0.401 7.337 1.00 0.35 C ATOM 830 CG TYR A 45 1.629 -1.075 7.251 1.00 0.40 C ATOM 831 CD1 TYR A 45 0.334 -1.547 7.136 1.00 0.41 C ATOM 832 CD2 TYR A 45 2.664 -1.988 7.309 1.00 0.49 C ATOM 833 CE1 TYR A 45 0.073 -2.893 7.078 1.00 0.46 C ATOM 834 CE2 TYR A 45 2.415 -3.341 7.247 1.00 0.54 C ATOM 835 CZ TYR A 45 1.194 -3.801 7.061 1.00 0.53 C ATOM 836 OH TYR A 45 0.860 -5.142 7.067 1.00 0.58 O ATOM 0 H TYR A 45 2.447 2.674 7.799 1.00 0.30 H new ATOM 0 HA TYR A 45 0.316 1.035 8.681 1.00 0.33 H new ATOM 0 HB2 TYR A 45 1.405 0.886 6.488 1.00 0.35 H new ATOM 0 HB3 TYR A 45 2.958 0.572 7.237 1.00 0.35 H new ATOM 0 HD1 TYR A 45 -0.485 -0.845 7.091 1.00 0.41 H new ATOM 0 HD2 TYR A 45 3.681 -1.636 7.404 1.00 0.49 H new ATOM 0 HE1 TYR A 45 -0.942 -3.262 7.046 1.00 0.46 H new ATOM 0 HE2 TYR A 45 3.234 -4.037 7.353 1.00 0.54 H new ATOM 0 HH TYR A 45 1.677 -5.683 7.054 1.00 0.58 H new ATOM 846 N ASP A 46 3.235 0.546 10.117 1.00 0.43 N ATOM 847 CA ASP A 46 3.891 -0.179 11.196 1.00 0.51 C ATOM 848 C ASP A 46 3.520 0.370 12.574 1.00 0.53 C ATOM 849 O ASP A 46 3.613 -0.344 13.573 1.00 0.60 O ATOM 850 CB ASP A 46 5.409 -0.181 11.005 1.00 0.58 C ATOM 851 CG ASP A 46 6.131 -0.911 12.118 1.00 0.90 C ATOM 852 OD1 ASP A 46 6.085 -2.159 12.143 1.00 1.20 O ATOM 853 OD2 ASP A 46 6.754 -0.240 12.971 1.00 1.14 O ATOM 0 H ASP A 46 3.842 1.180 9.598 1.00 0.43 H new ATOM 0 HA ASP A 46 3.532 -1.207 11.154 1.00 0.51 H new ATOM 0 HB2 ASP A 46 5.652 -0.649 10.051 1.00 0.58 H new ATOM 0 HB3 ASP A 46 5.768 0.847 10.956 1.00 0.58 H new ATOM 858 N GLU A 47 3.080 1.622 12.645 1.00 0.49 N ATOM 859 CA GLU A 47 2.710 2.218 13.921 1.00 0.51 C ATOM 860 C GLU A 47 1.239 1.944 14.241 1.00 0.49 C ATOM 861 O GLU A 47 0.675 2.519 15.174 1.00 0.58 O ATOM 862 CB GLU A 47 2.960 3.726 13.901 1.00 0.53 C ATOM 863 CG GLU A 47 2.249 4.429 12.767 1.00 1.21 C ATOM 864 CD GLU A 47 2.204 5.931 12.933 1.00 1.73 C ATOM 865 OE1 GLU A 47 3.185 6.600 12.545 1.00 2.22 O ATOM 866 OE2 GLU A 47 1.198 6.453 13.459 1.00 2.21 O ATOM 0 H GLU A 47 2.972 2.239 11.840 1.00 0.49 H new ATOM 0 HA GLU A 47 3.329 1.765 14.695 1.00 0.51 H new ATOM 0 HB2 GLU A 47 2.634 4.155 14.848 1.00 0.53 H new ATOM 0 HB3 GLU A 47 4.031 3.910 13.820 1.00 0.53 H new ATOM 0 HG2 GLU A 47 2.749 4.188 11.829 1.00 1.21 H new ATOM 0 HG3 GLU A 47 1.231 4.047 12.693 1.00 1.21 H new ATOM 873 N LEU A 48 0.613 1.080 13.442 1.00 0.44 N ATOM 874 CA LEU A 48 -0.785 0.736 13.615 1.00 0.46 C ATOM 875 C LEU A 48 -0.999 -0.170 14.824 1.00 0.69 C ATOM 876 O LEU A 48 -0.129 -0.304 15.689 1.00 1.11 O ATOM 877 CB LEU A 48 -1.302 0.096 12.324 1.00 0.37 C ATOM 878 CG LEU A 48 -1.506 1.075 11.179 1.00 0.36 C ATOM 879 CD1 LEU A 48 -1.947 0.343 9.930 1.00 0.44 C ATOM 880 CD2 LEU A 48 -2.531 2.122 11.574 1.00 0.47 C ATOM 0 H LEU A 48 1.065 0.604 12.661 1.00 0.44 H new ATOM 0 HA LEU A 48 -1.355 1.644 13.815 1.00 0.46 H new ATOM 0 HB2 LEU A 48 -0.599 -0.674 12.007 1.00 0.37 H new ATOM 0 HB3 LEU A 48 -2.248 -0.403 12.533 1.00 0.37 H new ATOM 0 HG LEU A 48 -0.560 1.572 10.965 1.00 0.36 H new ATOM 0 HD11 LEU A 48 -2.089 1.058 9.120 1.00 0.44 H new ATOM 0 HD12 LEU A 48 -1.185 -0.382 9.645 1.00 0.44 H new ATOM 0 HD13 LEU A 48 -2.886 -0.175 10.124 1.00 0.44 H new ATOM 0 HD21 LEU A 48 -2.673 2.821 10.750 1.00 0.47 H new ATOM 0 HD22 LEU A 48 -3.478 1.635 11.804 1.00 0.47 H new ATOM 0 HD23 LEU A 48 -2.178 2.663 12.452 1.00 0.47 H new ATOM 892 N GLU A 49 -2.151 -0.808 14.859 1.00 0.61 N ATOM 893 CA GLU A 49 -2.609 -1.500 16.055 1.00 0.86 C ATOM 894 C GLU A 49 -3.798 -2.412 15.770 1.00 0.61 C ATOM 895 O GLU A 49 -4.844 -1.956 15.316 1.00 1.16 O ATOM 896 CB GLU A 49 -2.983 -0.478 17.130 1.00 1.42 C ATOM 897 CG GLU A 49 -3.881 0.633 16.619 1.00 1.33 C ATOM 898 CD GLU A 49 -4.192 1.661 17.679 1.00 2.01 C ATOM 899 OE1 GLU A 49 -3.403 2.616 17.832 1.00 2.19 O ATOM 900 OE2 GLU A 49 -5.221 1.516 18.370 1.00 2.83 O ATOM 0 H GLU A 49 -2.794 -0.864 14.069 1.00 0.61 H new ATOM 0 HA GLU A 49 -1.791 -2.129 16.407 1.00 0.86 H new ATOM 0 HB2 GLU A 49 -3.484 -0.992 17.950 1.00 1.42 H new ATOM 0 HB3 GLU A 49 -2.072 -0.040 17.537 1.00 1.42 H new ATOM 0 HG2 GLU A 49 -3.400 1.123 15.772 1.00 1.33 H new ATOM 0 HG3 GLU A 49 -4.812 0.202 16.251 1.00 1.33 H new ATOM 907 N GLY A 50 -3.610 -3.705 16.024 1.00 0.74 N ATOM 908 CA GLY A 50 -4.698 -4.673 15.964 1.00 0.61 C ATOM 909 C GLY A 50 -5.530 -4.596 14.700 1.00 0.54 C ATOM 910 O GLY A 50 -5.030 -4.846 13.601 1.00 0.54 O ATOM 0 H GLY A 50 -2.707 -4.107 16.275 1.00 0.74 H new ATOM 0 HA2 GLY A 50 -4.281 -5.677 16.051 1.00 0.61 H new ATOM 0 HA3 GLY A 50 -5.350 -4.523 16.824 1.00 0.61 H new ATOM 914 N ASP A 51 -6.798 -4.228 14.857 1.00 0.54 N ATOM 915 CA ASP A 51 -7.733 -4.183 13.738 1.00 0.52 C ATOM 916 C ASP A 51 -7.384 -3.062 12.775 1.00 0.46 C ATOM 917 O ASP A 51 -7.710 -3.145 11.594 1.00 0.46 O ATOM 918 CB ASP A 51 -9.174 -4.036 14.225 1.00 0.58 C ATOM 919 CG ASP A 51 -9.755 -5.349 14.706 1.00 1.53 C ATOM 920 OD1 ASP A 51 -10.326 -6.093 13.875 1.00 2.06 O ATOM 921 OD2 ASP A 51 -9.644 -5.651 15.913 1.00 2.37 O ATOM 0 H ASP A 51 -7.203 -3.956 15.753 1.00 0.54 H new ATOM 0 HA ASP A 51 -7.648 -5.130 13.206 1.00 0.52 H new ATOM 0 HB2 ASP A 51 -9.209 -3.307 15.035 1.00 0.58 H new ATOM 0 HB3 ASP A 51 -9.790 -3.643 13.416 1.00 0.58 H new ATOM 926 N ALA A 52 -6.741 -2.011 13.272 1.00 0.43 N ATOM 927 CA ALA A 52 -6.270 -0.943 12.396 1.00 0.41 C ATOM 928 C ALA A 52 -5.257 -1.520 11.426 1.00 0.40 C ATOM 929 O ALA A 52 -5.302 -1.279 10.222 1.00 0.40 O ATOM 930 CB ALA A 52 -5.671 0.202 13.200 1.00 0.42 C ATOM 0 H ALA A 52 -6.536 -1.876 14.262 1.00 0.43 H new ATOM 0 HA ALA A 52 -7.112 -0.533 11.839 1.00 0.41 H new ATOM 0 HB1 ALA A 52 -5.329 0.983 12.521 1.00 0.42 H new ATOM 0 HB2 ALA A 52 -6.427 0.610 13.871 1.00 0.42 H new ATOM 0 HB3 ALA A 52 -4.828 -0.166 13.785 1.00 0.42 H new ATOM 936 N LYS A 53 -4.347 -2.310 11.993 1.00 0.40 N ATOM 937 CA LYS A 53 -3.286 -2.956 11.242 1.00 0.41 C ATOM 938 C LYS A 53 -3.891 -3.935 10.256 1.00 0.41 C ATOM 939 O LYS A 53 -3.668 -3.839 9.055 1.00 0.40 O ATOM 940 CB LYS A 53 -2.349 -3.692 12.200 1.00 0.47 C ATOM 941 CG LYS A 53 -1.098 -4.243 11.539 1.00 0.52 C ATOM 942 CD LYS A 53 -0.163 -3.134 11.095 1.00 0.94 C ATOM 943 CE LYS A 53 1.142 -3.678 10.542 1.00 0.83 C ATOM 944 NZ LYS A 53 1.922 -4.418 11.568 1.00 1.62 N ATOM 0 H LYS A 53 -4.330 -2.517 12.992 1.00 0.40 H new ATOM 0 HA LYS A 53 -2.715 -2.203 10.698 1.00 0.41 H new ATOM 0 HB2 LYS A 53 -2.055 -3.011 12.999 1.00 0.47 H new ATOM 0 HB3 LYS A 53 -2.894 -4.514 12.665 1.00 0.47 H new ATOM 0 HG2 LYS A 53 -0.578 -4.900 12.236 1.00 0.52 H new ATOM 0 HG3 LYS A 53 -1.378 -4.849 10.678 1.00 0.52 H new ATOM 0 HD2 LYS A 53 -0.655 -2.528 10.334 1.00 0.94 H new ATOM 0 HD3 LYS A 53 0.047 -2.477 11.939 1.00 0.94 H new ATOM 0 HE2 LYS A 53 0.931 -4.340 9.702 1.00 0.83 H new ATOM 0 HE3 LYS A 53 1.742 -2.854 10.156 1.00 0.83 H new ATOM 0 HZ1 LYS A 53 2.898 -4.550 11.234 1.00 1.62 H new ATOM 0 HZ2 LYS A 53 1.930 -3.876 12.456 1.00 1.62 H new ATOM 0 HZ3 LYS A 53 1.485 -5.347 11.734 1.00 1.62 H new ATOM 958 N LYS A 54 -4.674 -4.862 10.792 1.00 0.44 N ATOM 959 CA LYS A 54 -5.366 -5.862 9.997 1.00 0.47 C ATOM 960 C LYS A 54 -6.166 -5.227 8.857 1.00 0.44 C ATOM 961 O LYS A 54 -6.134 -5.718 7.728 1.00 0.46 O ATOM 962 CB LYS A 54 -6.255 -6.708 10.909 1.00 0.52 C ATOM 963 CG LYS A 54 -7.720 -6.743 10.523 1.00 0.99 C ATOM 964 CD LYS A 54 -8.400 -7.913 11.202 1.00 0.97 C ATOM 965 CE LYS A 54 -9.876 -8.007 10.849 1.00 1.74 C ATOM 966 NZ LYS A 54 -10.632 -6.798 11.271 1.00 2.49 N ATOM 0 H LYS A 54 -4.846 -4.940 11.794 1.00 0.44 H new ATOM 0 HA LYS A 54 -4.626 -6.510 9.527 1.00 0.47 H new ATOM 0 HB2 LYS A 54 -5.873 -7.729 10.918 1.00 0.52 H new ATOM 0 HB3 LYS A 54 -6.172 -6.327 11.927 1.00 0.52 H new ATOM 0 HG2 LYS A 54 -8.204 -5.811 10.813 1.00 0.99 H new ATOM 0 HG3 LYS A 54 -7.819 -6.831 9.441 1.00 0.99 H new ATOM 0 HD2 LYS A 54 -7.900 -8.838 10.914 1.00 0.97 H new ATOM 0 HD3 LYS A 54 -8.293 -7.816 12.282 1.00 0.97 H new ATOM 0 HE2 LYS A 54 -9.983 -8.143 9.773 1.00 1.74 H new ATOM 0 HE3 LYS A 54 -10.307 -8.888 11.326 1.00 1.74 H new ATOM 0 HZ1 LYS A 54 -11.641 -7.034 11.362 1.00 2.49 H new ATOM 0 HZ2 LYS A 54 -10.270 -6.465 12.187 1.00 2.49 H new ATOM 0 HZ3 LYS A 54 -10.514 -6.049 10.559 1.00 2.49 H new ATOM 980 N GLU A 55 -6.869 -4.132 9.146 1.00 0.42 N ATOM 981 CA GLU A 55 -7.614 -3.418 8.125 1.00 0.41 C ATOM 982 C GLU A 55 -6.681 -2.794 7.114 1.00 0.39 C ATOM 983 O GLU A 55 -6.885 -2.968 5.915 1.00 0.41 O ATOM 984 CB GLU A 55 -8.492 -2.334 8.738 1.00 0.42 C ATOM 985 CG GLU A 55 -9.912 -2.770 8.991 1.00 0.89 C ATOM 986 CD GLU A 55 -10.874 -1.604 8.908 1.00 1.39 C ATOM 987 OE1 GLU A 55 -10.989 -0.998 7.826 1.00 1.34 O ATOM 988 OE2 GLU A 55 -11.543 -1.307 9.921 1.00 2.27 O ATOM 0 H GLU A 55 -6.934 -3.725 10.079 1.00 0.42 H new ATOM 0 HA GLU A 55 -8.252 -4.146 7.623 1.00 0.41 H new ATOM 0 HB2 GLU A 55 -8.048 -2.010 9.679 1.00 0.42 H new ATOM 0 HB3 GLU A 55 -8.500 -1.469 8.075 1.00 0.42 H new ATOM 0 HG2 GLU A 55 -10.196 -3.530 8.262 1.00 0.89 H new ATOM 0 HG3 GLU A 55 -9.982 -3.231 9.976 1.00 0.89 H new ATOM 995 N ALA A 56 -5.672 -2.072 7.568 1.00 0.36 N ATOM 996 CA ALA A 56 -4.776 -1.418 6.636 1.00 0.34 C ATOM 997 C ALA A 56 -4.120 -2.459 5.750 1.00 0.36 C ATOM 998 O ALA A 56 -4.178 -2.362 4.530 1.00 0.37 O ATOM 999 CB ALA A 56 -3.741 -0.576 7.355 1.00 0.31 C ATOM 0 H ALA A 56 -5.456 -1.926 8.554 1.00 0.36 H new ATOM 0 HA ALA A 56 -5.357 -0.738 6.013 1.00 0.34 H new ATOM 0 HB1 ALA A 56 -3.087 -0.101 6.624 1.00 0.31 H new ATOM 0 HB2 ALA A 56 -4.242 0.191 7.946 1.00 0.31 H new ATOM 0 HB3 ALA A 56 -3.149 -1.211 8.013 1.00 0.31 H new ATOM 1005 N THR A 57 -3.520 -3.463 6.373 1.00 0.38 N ATOM 1006 CA THR A 57 -2.902 -4.562 5.658 1.00 0.41 C ATOM 1007 C THR A 57 -3.803 -5.117 4.554 1.00 0.44 C ATOM 1008 O THR A 57 -3.384 -5.299 3.415 1.00 0.45 O ATOM 1009 CB THR A 57 -2.544 -5.708 6.631 1.00 0.45 C ATOM 1010 OG1 THR A 57 -1.653 -5.237 7.646 1.00 0.43 O ATOM 1011 CG2 THR A 57 -1.903 -6.870 5.897 1.00 0.51 C ATOM 0 H THR A 57 -3.450 -3.536 7.388 1.00 0.38 H new ATOM 0 HA THR A 57 -1.999 -4.163 5.196 1.00 0.41 H new ATOM 0 HB THR A 57 -3.470 -6.054 7.090 1.00 0.45 H new ATOM 0 HG1 THR A 57 -0.839 -4.886 7.229 1.00 0.43 H new ATOM 0 HG21 THR A 57 -1.662 -7.661 6.607 1.00 0.51 H new ATOM 0 HG22 THR A 57 -2.596 -7.254 5.148 1.00 0.51 H new ATOM 0 HG23 THR A 57 -0.990 -6.532 5.407 1.00 0.51 H new ATOM 1019 N GLU A 58 -5.068 -5.328 4.919 1.00 0.45 N ATOM 1020 CA GLU A 58 -6.094 -5.788 3.986 1.00 0.49 C ATOM 1021 C GLU A 58 -6.364 -4.770 2.874 1.00 0.48 C ATOM 1022 O GLU A 58 -6.587 -5.150 1.723 1.00 0.53 O ATOM 1023 CB GLU A 58 -7.392 -6.090 4.741 1.00 0.52 C ATOM 1024 CG GLU A 58 -7.471 -7.506 5.278 1.00 0.78 C ATOM 1025 CD GLU A 58 -8.799 -7.788 5.949 1.00 1.14 C ATOM 1026 OE1 GLU A 58 -9.821 -7.869 5.234 1.00 1.37 O ATOM 1027 OE2 GLU A 58 -8.827 -7.933 7.192 1.00 1.71 O ATOM 0 H GLU A 58 -5.409 -5.185 5.870 1.00 0.45 H new ATOM 0 HA GLU A 58 -5.720 -6.697 3.515 1.00 0.49 H new ATOM 0 HB2 GLU A 58 -7.490 -5.390 5.571 1.00 0.52 H new ATOM 0 HB3 GLU A 58 -8.238 -5.916 4.076 1.00 0.52 H new ATOM 0 HG2 GLU A 58 -7.321 -8.212 4.461 1.00 0.78 H new ATOM 0 HG3 GLU A 58 -6.663 -7.668 5.992 1.00 0.78 H new ATOM 1034 N HIS A 59 -6.325 -3.483 3.204 1.00 0.43 N ATOM 1035 CA HIS A 59 -6.666 -2.442 2.243 1.00 0.43 C ATOM 1036 C HIS A 59 -5.515 -2.237 1.268 1.00 0.42 C ATOM 1037 O HIS A 59 -5.724 -2.093 0.063 1.00 0.44 O ATOM 1038 CB HIS A 59 -7.014 -1.126 2.952 1.00 0.40 C ATOM 1039 CG HIS A 59 -8.217 -1.218 3.846 1.00 0.48 C ATOM 1040 ND1 HIS A 59 -9.240 -2.119 3.646 1.00 0.72 N ATOM 1041 CD2 HIS A 59 -8.544 -0.535 4.974 1.00 0.42 C ATOM 1042 CE1 HIS A 59 -10.136 -1.989 4.602 1.00 0.77 C ATOM 1043 NE2 HIS A 59 -9.742 -1.036 5.423 1.00 0.57 N ATOM 0 H HIS A 59 -6.061 -3.137 4.127 1.00 0.43 H new ATOM 0 HA HIS A 59 -7.547 -2.763 1.688 1.00 0.43 H new ATOM 0 HB2 HIS A 59 -6.157 -0.806 3.544 1.00 0.40 H new ATOM 0 HB3 HIS A 59 -7.189 -0.355 2.201 1.00 0.40 H new ATOM 0 HD2 HIS A 59 -7.969 0.255 5.433 1.00 0.42 H new ATOM 0 HE1 HIS A 59 -11.043 -2.567 4.698 1.00 0.77 H new ATOM 0 HE2 HIS A 59 -10.243 -0.722 6.254 1.00 0.57 H new ATOM 1052 N LEU A 60 -4.300 -2.211 1.803 1.00 0.40 N ATOM 1053 CA LEU A 60 -3.106 -2.211 0.997 1.00 0.40 C ATOM 1054 C LEU A 60 -3.023 -3.466 0.134 1.00 0.43 C ATOM 1055 O LEU A 60 -2.519 -3.412 -0.990 1.00 0.43 O ATOM 1056 CB LEU A 60 -1.875 -2.083 1.889 1.00 0.39 C ATOM 1057 CG LEU A 60 -1.616 -0.668 2.388 1.00 0.38 C ATOM 1058 CD1 LEU A 60 -2.693 -0.208 3.333 1.00 0.62 C ATOM 1059 CD2 LEU A 60 -0.241 -0.548 3.026 1.00 0.59 C ATOM 0 H LEU A 60 -4.125 -2.189 2.808 1.00 0.40 H new ATOM 0 HA LEU A 60 -3.144 -1.353 0.325 1.00 0.40 H new ATOM 0 HB2 LEU A 60 -1.991 -2.744 2.748 1.00 0.39 H new ATOM 0 HB3 LEU A 60 -1.001 -2.428 1.336 1.00 0.39 H new ATOM 0 HG LEU A 60 -1.638 -0.010 1.519 1.00 0.38 H new ATOM 0 HD11 LEU A 60 -2.474 0.806 3.668 1.00 0.62 H new ATOM 0 HD12 LEU A 60 -3.656 -0.221 2.822 1.00 0.62 H new ATOM 0 HD13 LEU A 60 -2.730 -0.875 4.194 1.00 0.62 H new ATOM 0 HD21 LEU A 60 -0.088 0.474 3.371 1.00 0.59 H new ATOM 0 HD22 LEU A 60 -0.172 -1.231 3.873 1.00 0.59 H new ATOM 0 HD23 LEU A 60 0.524 -0.801 2.292 1.00 0.59 H new ATOM 1071 N LYS A 61 -3.529 -4.592 0.652 1.00 0.46 N ATOM 1072 CA LYS A 61 -3.600 -5.820 -0.133 1.00 0.50 C ATOM 1073 C LYS A 61 -4.453 -5.594 -1.362 1.00 0.53 C ATOM 1074 O LYS A 61 -4.001 -5.807 -2.481 1.00 0.56 O ATOM 1075 CB LYS A 61 -4.185 -6.984 0.675 1.00 0.51 C ATOM 1076 CG LYS A 61 -3.191 -7.678 1.594 1.00 0.57 C ATOM 1077 CD LYS A 61 -3.855 -8.808 2.363 1.00 0.57 C ATOM 1078 CE LYS A 61 -2.863 -9.556 3.236 1.00 0.59 C ATOM 1079 NZ LYS A 61 -3.516 -10.636 4.021 1.00 0.67 N ATOM 0 H LYS A 61 -3.891 -4.674 1.602 1.00 0.46 H new ATOM 0 HA LYS A 61 -2.582 -6.083 -0.420 1.00 0.50 H new ATOM 0 HB2 LYS A 61 -5.016 -6.612 1.274 1.00 0.51 H new ATOM 0 HB3 LYS A 61 -4.595 -7.720 -0.017 1.00 0.51 H new ATOM 0 HG2 LYS A 61 -2.361 -8.072 1.007 1.00 0.57 H new ATOM 0 HG3 LYS A 61 -2.771 -6.955 2.294 1.00 0.57 H new ATOM 0 HD2 LYS A 61 -4.654 -8.404 2.985 1.00 0.57 H new ATOM 0 HD3 LYS A 61 -4.317 -9.502 1.661 1.00 0.57 H new ATOM 0 HE2 LYS A 61 -2.081 -9.985 2.610 1.00 0.59 H new ATOM 0 HE3 LYS A 61 -2.379 -8.856 3.916 1.00 0.59 H new ATOM 0 HZ1 LYS A 61 -2.804 -11.121 4.603 1.00 0.67 H new ATOM 0 HZ2 LYS A 61 -4.245 -10.224 4.638 1.00 0.67 H new ATOM 0 HZ3 LYS A 61 -3.957 -11.319 3.372 1.00 0.67 H new ATOM 1093 N GLY A 62 -5.694 -5.164 -1.145 1.00 0.53 N ATOM 1094 CA GLY A 62 -6.577 -4.836 -2.243 1.00 0.56 C ATOM 1095 C GLY A 62 -5.965 -3.808 -3.174 1.00 0.55 C ATOM 1096 O GLY A 62 -6.127 -3.891 -4.386 1.00 0.59 O ATOM 0 H GLY A 62 -6.103 -5.037 -0.219 1.00 0.53 H new ATOM 0 HA2 GLY A 62 -6.810 -5.741 -2.804 1.00 0.56 H new ATOM 0 HA3 GLY A 62 -7.519 -4.454 -1.849 1.00 0.56 H new ATOM 1100 N GLY A 63 -5.265 -2.834 -2.597 1.00 0.50 N ATOM 1101 CA GLY A 63 -4.551 -1.847 -3.387 1.00 0.49 C ATOM 1102 C GLY A 63 -3.594 -2.463 -4.388 1.00 0.49 C ATOM 1103 O GLY A 63 -3.722 -2.245 -5.595 1.00 0.50 O ATOM 0 H GLY A 63 -5.180 -2.711 -1.588 1.00 0.50 H new ATOM 0 HA2 GLY A 63 -5.272 -1.225 -3.918 1.00 0.49 H new ATOM 0 HA3 GLY A 63 -3.995 -1.190 -2.719 1.00 0.49 H new ATOM 1107 N CYS A 64 -2.642 -3.237 -3.900 1.00 0.51 N ATOM 1108 CA CYS A 64 -1.669 -3.854 -4.783 1.00 0.55 C ATOM 1109 C CYS A 64 -2.310 -4.997 -5.568 1.00 0.56 C ATOM 1110 O CYS A 64 -1.810 -5.389 -6.616 1.00 0.56 O ATOM 1111 CB CYS A 64 -0.423 -4.310 -4.021 1.00 0.68 C ATOM 1112 SG CYS A 64 -0.698 -5.639 -2.803 1.00 1.13 S ATOM 0 H CYS A 64 -2.522 -3.452 -2.910 1.00 0.51 H new ATOM 0 HA CYS A 64 -1.336 -3.103 -5.499 1.00 0.55 H new ATOM 0 HB2 CYS A 64 0.320 -4.649 -4.743 1.00 0.68 H new ATOM 0 HB3 CYS A 64 0.003 -3.449 -3.505 1.00 0.68 H new ATOM 1117 N ARG A 65 -3.410 -5.535 -5.046 1.00 0.62 N ATOM 1118 CA ARG A 65 -4.244 -6.475 -5.794 1.00 0.67 C ATOM 1119 C ARG A 65 -4.701 -5.835 -7.099 1.00 0.65 C ATOM 1120 O ARG A 65 -4.582 -6.430 -8.169 1.00 0.79 O ATOM 1121 CB ARG A 65 -5.472 -6.876 -4.971 1.00 0.76 C ATOM 1122 CG ARG A 65 -6.389 -7.866 -5.669 1.00 0.86 C ATOM 1123 CD ARG A 65 -7.754 -7.927 -5.000 1.00 1.49 C ATOM 1124 NE ARG A 65 -8.518 -6.693 -5.196 1.00 2.07 N ATOM 1125 CZ ARG A 65 -9.587 -6.347 -4.483 1.00 2.91 C ATOM 1126 NH1 ARG A 65 -10.022 -7.124 -3.496 1.00 3.31 N ATOM 1127 NH2 ARG A 65 -10.223 -5.217 -4.763 1.00 3.80 N ATOM 0 H ARG A 65 -3.746 -5.335 -4.104 1.00 0.62 H new ATOM 0 HA ARG A 65 -3.653 -7.366 -6.008 1.00 0.67 H new ATOM 0 HB2 ARG A 65 -5.139 -7.308 -4.028 1.00 0.76 H new ATOM 0 HB3 ARG A 65 -6.041 -5.979 -4.727 1.00 0.76 H new ATOM 0 HG2 ARG A 65 -6.507 -7.580 -6.714 1.00 0.86 H new ATOM 0 HG3 ARG A 65 -5.933 -8.856 -5.659 1.00 0.86 H new ATOM 0 HD2 ARG A 65 -8.317 -8.769 -5.402 1.00 1.49 H new ATOM 0 HD3 ARG A 65 -7.627 -8.109 -3.933 1.00 1.49 H new ATOM 0 HE ARG A 65 -8.209 -6.055 -5.929 1.00 2.07 H new ATOM 0 HH11 ARG A 65 -9.535 -7.994 -3.280 1.00 3.31 H new ATOM 0 HH12 ARG A 65 -10.842 -6.850 -2.955 1.00 3.31 H new ATOM 0 HH21 ARG A 65 -9.892 -4.620 -5.521 1.00 3.80 H new ATOM 0 HH22 ARG A 65 -11.043 -4.945 -4.221 1.00 3.80 H new ATOM 1141 N GLU A 66 -5.218 -4.610 -6.999 1.00 0.55 N ATOM 1142 CA GLU A 66 -5.633 -3.852 -8.175 1.00 0.55 C ATOM 1143 C GLU A 66 -4.439 -3.618 -9.092 1.00 0.48 C ATOM 1144 O GLU A 66 -4.570 -3.600 -10.315 1.00 0.47 O ATOM 1145 CB GLU A 66 -6.245 -2.506 -7.770 1.00 0.62 C ATOM 1146 CG GLU A 66 -7.424 -2.620 -6.819 1.00 0.75 C ATOM 1147 CD GLU A 66 -8.568 -3.433 -7.387 1.00 1.27 C ATOM 1148 OE1 GLU A 66 -9.387 -2.868 -8.143 1.00 1.61 O ATOM 1149 OE2 GLU A 66 -8.669 -4.635 -7.063 1.00 2.02 O ATOM 0 H GLU A 66 -5.359 -4.123 -6.114 1.00 0.55 H new ATOM 0 HA GLU A 66 -6.389 -4.431 -8.704 1.00 0.55 H new ATOM 0 HB2 GLU A 66 -5.473 -1.894 -7.303 1.00 0.62 H new ATOM 0 HB3 GLU A 66 -6.567 -1.981 -8.669 1.00 0.62 H new ATOM 0 HG2 GLU A 66 -7.089 -3.076 -5.887 1.00 0.75 H new ATOM 0 HG3 GLU A 66 -7.783 -1.621 -6.573 1.00 0.75 H new ATOM 1156 N ILE A 67 -3.273 -3.438 -8.488 1.00 0.47 N ATOM 1157 CA ILE A 67 -2.039 -3.284 -9.243 1.00 0.47 C ATOM 1158 C ILE A 67 -1.660 -4.586 -9.943 1.00 0.45 C ATOM 1159 O ILE A 67 -1.280 -4.576 -11.107 1.00 0.45 O ATOM 1160 CB ILE A 67 -0.882 -2.819 -8.335 1.00 0.58 C ATOM 1161 CG1 ILE A 67 -1.213 -1.446 -7.750 1.00 0.67 C ATOM 1162 CG2 ILE A 67 0.433 -2.779 -9.107 1.00 0.60 C ATOM 1163 CD1 ILE A 67 -0.146 -0.894 -6.838 1.00 0.81 C ATOM 0 H ILE A 67 -3.156 -3.395 -7.476 1.00 0.47 H new ATOM 0 HA ILE A 67 -2.214 -2.518 -9.999 1.00 0.47 H new ATOM 0 HB ILE A 67 -0.762 -3.532 -7.520 1.00 0.58 H new ATOM 0 HG12 ILE A 67 -1.376 -0.744 -8.568 1.00 0.67 H new ATOM 0 HG13 ILE A 67 -2.150 -1.514 -7.197 1.00 0.67 H new ATOM 0 HG21 ILE A 67 1.233 -2.448 -8.445 1.00 0.60 H new ATOM 0 HG22 ILE A 67 0.663 -3.775 -9.485 1.00 0.60 H new ATOM 0 HG23 ILE A 67 0.343 -2.085 -9.943 1.00 0.60 H new ATOM 0 HD11 ILE A 67 -0.456 0.082 -6.464 1.00 0.81 H new ATOM 0 HD12 ILE A 67 0.003 -1.573 -5.999 1.00 0.81 H new ATOM 0 HD13 ILE A 67 0.788 -0.791 -7.391 1.00 0.81 H new ATOM 1175 N LEU A 68 -1.781 -5.702 -9.233 1.00 0.61 N ATOM 1176 CA LEU A 68 -1.497 -7.021 -9.803 1.00 0.80 C ATOM 1177 C LEU A 68 -2.463 -7.303 -10.952 1.00 0.82 C ATOM 1178 O LEU A 68 -2.134 -7.991 -11.917 1.00 0.88 O ATOM 1179 CB LEU A 68 -1.624 -8.090 -8.711 1.00 1.12 C ATOM 1180 CG LEU A 68 -0.931 -9.418 -9.007 1.00 1.34 C ATOM 1181 CD1 LEU A 68 0.567 -9.210 -9.173 1.00 1.58 C ATOM 1182 CD2 LEU A 68 -1.209 -10.416 -7.895 1.00 1.71 C ATOM 0 H LEU A 68 -2.075 -5.723 -8.257 1.00 0.61 H new ATOM 0 HA LEU A 68 -0.480 -7.042 -10.194 1.00 0.80 H new ATOM 0 HB2 LEU A 68 -1.218 -7.687 -7.783 1.00 1.12 H new ATOM 0 HB3 LEU A 68 -2.683 -8.283 -8.538 1.00 1.12 H new ATOM 0 HG LEU A 68 -1.328 -9.818 -9.940 1.00 1.34 H new ATOM 0 HD11 LEU A 68 1.046 -10.166 -9.383 1.00 1.58 H new ATOM 0 HD12 LEU A 68 0.750 -8.523 -9.999 1.00 1.58 H new ATOM 0 HD13 LEU A 68 0.980 -8.792 -8.255 1.00 1.58 H new ATOM 0 HD21 LEU A 68 -0.709 -11.358 -8.119 1.00 1.71 H new ATOM 0 HD22 LEU A 68 -0.834 -10.022 -6.950 1.00 1.71 H new ATOM 0 HD23 LEU A 68 -2.283 -10.585 -7.817 1.00 1.71 H new ATOM 1194 N LYS A 69 -3.632 -6.687 -10.842 1.00 0.95 N ATOM 1195 CA LYS A 69 -4.617 -6.737 -11.920 1.00 1.24 C ATOM 1196 C LYS A 69 -4.099 -6.018 -13.161 1.00 1.20 C ATOM 1197 O LYS A 69 -4.628 -6.188 -14.260 1.00 1.61 O ATOM 1198 CB LYS A 69 -5.958 -6.143 -11.487 1.00 1.39 C ATOM 1199 CG LYS A 69 -6.724 -7.010 -10.497 1.00 1.43 C ATOM 1200 CD LYS A 69 -8.049 -6.372 -10.103 1.00 1.50 C ATOM 1201 CE LYS A 69 -8.994 -6.235 -11.291 1.00 1.68 C ATOM 1202 NZ LYS A 69 -9.482 -7.551 -11.780 1.00 2.22 N ATOM 0 H LYS A 69 -3.923 -6.150 -10.025 1.00 0.95 H new ATOM 0 HA LYS A 69 -4.778 -7.787 -12.163 1.00 1.24 H new ATOM 0 HB2 LYS A 69 -5.784 -5.165 -11.039 1.00 1.39 H new ATOM 0 HB3 LYS A 69 -6.576 -5.984 -12.370 1.00 1.39 H new ATOM 0 HG2 LYS A 69 -6.908 -7.990 -10.937 1.00 1.43 H new ATOM 0 HG3 LYS A 69 -6.117 -7.169 -9.606 1.00 1.43 H new ATOM 0 HD2 LYS A 69 -8.525 -6.974 -9.329 1.00 1.50 H new ATOM 0 HD3 LYS A 69 -7.863 -5.388 -9.672 1.00 1.50 H new ATOM 0 HE2 LYS A 69 -9.846 -5.618 -11.005 1.00 1.68 H new ATOM 0 HE3 LYS A 69 -8.482 -5.716 -12.101 1.00 1.68 H new ATOM 0 HZ1 LYS A 69 -9.995 -7.420 -12.675 1.00 2.22 H new ATOM 0 HZ2 LYS A 69 -8.673 -8.186 -11.934 1.00 2.22 H new ATOM 0 HZ3 LYS A 69 -10.120 -7.969 -11.073 1.00 2.22 H new ATOM 1216 N HIS A 70 -3.052 -5.227 -12.979 1.00 1.05 N ATOM 1217 CA HIS A 70 -2.447 -4.489 -14.067 1.00 1.16 C ATOM 1218 C HIS A 70 -1.195 -5.222 -14.541 1.00 0.91 C ATOM 1219 O HIS A 70 -1.037 -5.513 -15.724 1.00 0.89 O ATOM 1220 CB HIS A 70 -2.106 -3.057 -13.635 1.00 1.41 C ATOM 1221 CG HIS A 70 -1.624 -2.185 -14.756 1.00 1.41 C ATOM 1222 ND1 HIS A 70 -2.442 -1.301 -15.423 1.00 1.59 N ATOM 1223 CD2 HIS A 70 -0.401 -2.065 -15.322 1.00 1.49 C ATOM 1224 CE1 HIS A 70 -1.745 -0.676 -16.353 1.00 1.76 C ATOM 1225 NE2 HIS A 70 -0.503 -1.121 -16.312 1.00 1.74 N ATOM 0 H HIS A 70 -2.603 -5.082 -12.075 1.00 1.05 H new ATOM 0 HA HIS A 70 -3.158 -4.424 -14.890 1.00 1.16 H new ATOM 0 HB2 HIS A 70 -2.990 -2.602 -13.188 1.00 1.41 H new ATOM 0 HB3 HIS A 70 -1.340 -3.094 -12.861 1.00 1.41 H new ATOM 0 HD2 HIS A 70 0.489 -2.611 -15.046 1.00 1.49 H new ATOM 0 HE1 HIS A 70 -2.126 0.072 -17.032 1.00 1.76 H new ATOM 0 HE2 HIS A 70 0.257 -0.813 -16.918 1.00 1.74 H new ATOM 1234 N VAL A 71 -0.305 -5.501 -13.579 1.00 0.76 N ATOM 1235 CA VAL A 71 1.001 -6.081 -13.857 1.00 0.69 C ATOM 1236 C VAL A 71 0.883 -7.432 -14.541 1.00 0.52 C ATOM 1237 O VAL A 71 1.351 -7.618 -15.660 1.00 0.59 O ATOM 1238 CB VAL A 71 1.837 -6.288 -12.573 1.00 0.81 C ATOM 1239 CG1 VAL A 71 3.297 -6.194 -12.895 1.00 1.01 C ATOM 1240 CG2 VAL A 71 1.500 -5.294 -11.482 1.00 1.46 C ATOM 0 H VAL A 71 -0.477 -5.328 -12.589 1.00 0.76 H new ATOM 0 HA VAL A 71 1.498 -5.365 -14.511 1.00 0.69 H new ATOM 0 HB VAL A 71 1.591 -7.280 -12.195 1.00 0.81 H new ATOM 0 HG11 VAL A 71 3.880 -6.341 -11.986 1.00 1.01 H new ATOM 0 HG12 VAL A 71 3.559 -6.962 -13.622 1.00 1.01 H new ATOM 0 HG13 VAL A 71 3.515 -5.211 -13.311 1.00 1.01 H new ATOM 0 HG21 VAL A 71 2.119 -5.490 -10.607 1.00 1.46 H new ATOM 0 HG22 VAL A 71 1.689 -4.282 -11.841 1.00 1.46 H new ATOM 0 HG23 VAL A 71 0.449 -5.393 -11.212 1.00 1.46 H new ATOM 1250 N VAL A 72 0.251 -8.376 -13.866 1.00 0.44 N ATOM 1251 CA VAL A 72 0.154 -9.724 -14.396 1.00 0.46 C ATOM 1252 C VAL A 72 -1.107 -9.866 -15.233 1.00 0.47 C ATOM 1253 O VAL A 72 -1.293 -10.840 -15.966 1.00 0.64 O ATOM 1254 CB VAL A 72 0.179 -10.784 -13.273 1.00 0.52 C ATOM 1255 CG1 VAL A 72 1.386 -10.569 -12.373 1.00 0.74 C ATOM 1256 CG2 VAL A 72 -1.107 -10.767 -12.459 1.00 0.80 C ATOM 0 H VAL A 72 -0.198 -8.237 -12.961 1.00 0.44 H new ATOM 0 HA VAL A 72 1.025 -9.898 -15.028 1.00 0.46 H new ATOM 0 HB VAL A 72 0.258 -11.766 -13.740 1.00 0.52 H new ATOM 0 HG11 VAL A 72 1.392 -11.323 -11.586 1.00 0.74 H new ATOM 0 HG12 VAL A 72 2.299 -10.653 -12.962 1.00 0.74 H new ATOM 0 HG13 VAL A 72 1.334 -9.577 -11.925 1.00 0.74 H new ATOM 0 HG21 VAL A 72 -1.053 -11.526 -11.678 1.00 0.80 H new ATOM 0 HG22 VAL A 72 -1.236 -9.785 -12.003 1.00 0.80 H new ATOM 0 HG23 VAL A 72 -1.954 -10.978 -13.112 1.00 0.80 H new ATOM 1266 N GLY A 73 -1.966 -8.859 -15.119 1.00 0.45 N ATOM 1267 CA GLY A 73 -3.212 -8.852 -15.844 1.00 0.48 C ATOM 1268 C GLY A 73 -4.288 -9.622 -15.116 1.00 0.50 C ATOM 1269 O GLY A 73 -3.991 -10.435 -14.239 1.00 0.55 O ATOM 0 H GLY A 73 -1.814 -8.041 -14.529 1.00 0.45 H new ATOM 0 HA2 GLY A 73 -3.539 -7.823 -15.994 1.00 0.48 H new ATOM 0 HA3 GLY A 73 -3.060 -9.286 -16.832 1.00 0.48 H new ATOM 1273 N GLU A 74 -5.537 -9.376 -15.478 1.00 0.54 N ATOM 1274 CA GLU A 74 -6.654 -10.092 -14.884 1.00 0.58 C ATOM 1275 C GLU A 74 -6.567 -11.569 -15.248 1.00 0.53 C ATOM 1276 O GLU A 74 -7.084 -12.425 -14.543 1.00 0.60 O ATOM 1277 CB GLU A 74 -7.979 -9.486 -15.346 1.00 0.69 C ATOM 1278 CG GLU A 74 -8.090 -8.005 -15.026 1.00 1.45 C ATOM 1279 CD GLU A 74 -9.448 -7.427 -15.357 1.00 1.80 C ATOM 1280 OE1 GLU A 74 -9.715 -7.180 -16.552 1.00 2.31 O ATOM 1281 OE2 GLU A 74 -10.259 -7.230 -14.431 1.00 2.10 O ATOM 0 H GLU A 74 -5.803 -8.686 -16.180 1.00 0.54 H new ATOM 0 HA GLU A 74 -6.607 -10.000 -13.799 1.00 0.58 H new ATOM 0 HB2 GLU A 74 -8.084 -9.630 -16.421 1.00 0.69 H new ATOM 0 HB3 GLU A 74 -8.803 -10.019 -14.871 1.00 0.69 H new ATOM 0 HG2 GLU A 74 -7.885 -7.852 -13.966 1.00 1.45 H new ATOM 0 HG3 GLU A 74 -7.325 -7.461 -15.581 1.00 1.45 H new ATOM 1288 N GLU A 75 -5.889 -11.836 -16.359 1.00 0.54 N ATOM 1289 CA GLU A 75 -5.518 -13.185 -16.771 1.00 0.55 C ATOM 1290 C GLU A 75 -4.837 -13.943 -15.642 1.00 0.53 C ATOM 1291 O GLU A 75 -5.355 -14.937 -15.136 1.00 0.56 O ATOM 1292 CB GLU A 75 -4.573 -13.093 -17.963 1.00 0.58 C ATOM 1293 CG GLU A 75 -5.190 -12.406 -19.162 1.00 0.95 C ATOM 1294 CD GLU A 75 -4.213 -12.249 -20.302 1.00 1.29 C ATOM 1295 OE1 GLU A 75 -3.779 -13.275 -20.865 1.00 1.31 O ATOM 1296 OE2 GLU A 75 -3.882 -11.097 -20.649 1.00 2.00 O ATOM 0 H GLU A 75 -5.578 -11.112 -17.007 1.00 0.54 H new ATOM 0 HA GLU A 75 -6.424 -13.727 -17.041 1.00 0.55 H new ATOM 0 HB2 GLU A 75 -3.675 -12.552 -17.665 1.00 0.58 H new ATOM 0 HB3 GLU A 75 -4.261 -14.097 -18.249 1.00 0.58 H new ATOM 0 HG2 GLU A 75 -6.052 -12.980 -19.502 1.00 0.95 H new ATOM 0 HG3 GLU A 75 -5.558 -11.424 -18.865 1.00 0.95 H new ATOM 1303 N LYS A 76 -3.674 -13.449 -15.245 1.00 0.50 N ATOM 1304 CA LYS A 76 -2.851 -14.138 -14.267 1.00 0.51 C ATOM 1305 C LYS A 76 -3.406 -13.950 -12.867 1.00 0.55 C ATOM 1306 O LYS A 76 -3.327 -14.850 -12.035 1.00 0.57 O ATOM 1307 CB LYS A 76 -1.420 -13.630 -14.334 1.00 0.47 C ATOM 1308 CG LYS A 76 -0.462 -14.406 -13.445 1.00 1.16 C ATOM 1309 CD LYS A 76 -0.416 -15.878 -13.823 1.00 1.43 C ATOM 1310 CE LYS A 76 -0.029 -16.054 -15.282 1.00 0.71 C ATOM 1311 NZ LYS A 76 0.107 -17.483 -15.663 1.00 1.13 N ATOM 0 H LYS A 76 -3.280 -12.572 -15.586 1.00 0.50 H new ATOM 0 HA LYS A 76 -2.861 -15.203 -14.501 1.00 0.51 H new ATOM 0 HB2 LYS A 76 -1.071 -13.684 -15.365 1.00 0.47 H new ATOM 0 HB3 LYS A 76 -1.401 -12.579 -14.045 1.00 0.47 H new ATOM 0 HG2 LYS A 76 0.537 -13.978 -13.525 1.00 1.16 H new ATOM 0 HG3 LYS A 76 -0.769 -14.306 -12.404 1.00 1.16 H new ATOM 0 HD2 LYS A 76 0.301 -16.398 -13.188 1.00 1.43 H new ATOM 0 HD3 LYS A 76 -1.390 -16.334 -13.644 1.00 1.43 H new ATOM 0 HE2 LYS A 76 -0.781 -15.582 -15.914 1.00 0.71 H new ATOM 0 HE3 LYS A 76 0.913 -15.539 -15.470 1.00 0.71 H new ATOM 0 HZ1 LYS A 76 0.946 -17.603 -16.265 1.00 1.13 H new ATOM 0 HZ2 LYS A 76 0.210 -18.063 -14.806 1.00 1.13 H new ATOM 0 HZ3 LYS A 76 -0.740 -17.785 -16.185 1.00 1.13 H new ATOM 1325 N ALA A 77 -3.967 -12.774 -12.611 1.00 0.57 N ATOM 1326 CA ALA A 77 -4.581 -12.488 -11.324 1.00 0.64 C ATOM 1327 C ALA A 77 -5.747 -13.437 -11.080 1.00 0.65 C ATOM 1328 O ALA A 77 -6.084 -13.742 -9.940 1.00 0.70 O ATOM 1329 CB ALA A 77 -5.043 -11.040 -11.261 1.00 0.68 C ATOM 0 H ALA A 77 -4.008 -12.004 -13.279 1.00 0.57 H new ATOM 0 HA ALA A 77 -3.839 -12.640 -10.540 1.00 0.64 H new ATOM 0 HB1 ALA A 77 -5.500 -10.846 -10.291 1.00 0.68 H new ATOM 0 HB2 ALA A 77 -4.187 -10.379 -11.398 1.00 0.68 H new ATOM 0 HB3 ALA A 77 -5.774 -10.857 -12.049 1.00 0.68 H new ATOM 1335 N ALA A 78 -6.352 -13.904 -12.164 1.00 0.63 N ATOM 1336 CA ALA A 78 -7.409 -14.896 -12.091 1.00 0.67 C ATOM 1337 C ALA A 78 -6.830 -16.253 -11.712 1.00 0.67 C ATOM 1338 O ALA A 78 -7.427 -17.007 -10.944 1.00 0.73 O ATOM 1339 CB ALA A 78 -8.132 -14.973 -13.427 1.00 0.66 C ATOM 0 H ALA A 78 -6.123 -13.606 -13.112 1.00 0.63 H new ATOM 0 HA ALA A 78 -8.125 -14.604 -11.322 1.00 0.67 H new ATOM 0 HB1 ALA A 78 -8.925 -15.719 -13.369 1.00 0.66 H new ATOM 0 HB2 ALA A 78 -8.565 -14.001 -13.663 1.00 0.66 H new ATOM 0 HB3 ALA A 78 -7.425 -15.255 -14.207 1.00 0.66 H new ATOM 1345 N GLU A 79 -5.648 -16.541 -12.237 1.00 0.62 N ATOM 1346 CA GLU A 79 -4.970 -17.805 -11.979 1.00 0.65 C ATOM 1347 C GLU A 79 -4.432 -17.841 -10.556 1.00 0.66 C ATOM 1348 O GLU A 79 -4.477 -18.871 -9.887 1.00 0.67 O ATOM 1349 CB GLU A 79 -3.828 -17.998 -12.967 1.00 0.65 C ATOM 1350 CG GLU A 79 -4.246 -17.758 -14.401 1.00 0.85 C ATOM 1351 CD GLU A 79 -3.168 -18.116 -15.394 1.00 0.87 C ATOM 1352 OE1 GLU A 79 -2.766 -19.296 -15.447 1.00 1.33 O ATOM 1353 OE2 GLU A 79 -2.720 -17.223 -16.138 1.00 1.26 O ATOM 0 H GLU A 79 -5.133 -15.910 -12.851 1.00 0.62 H new ATOM 0 HA GLU A 79 -5.690 -18.614 -12.102 1.00 0.65 H new ATOM 0 HB2 GLU A 79 -3.014 -17.319 -12.712 1.00 0.65 H new ATOM 0 HB3 GLU A 79 -3.439 -19.012 -12.872 1.00 0.65 H new ATOM 0 HG2 GLU A 79 -5.140 -18.343 -14.616 1.00 0.85 H new ATOM 0 HG3 GLU A 79 -4.514 -16.709 -14.525 1.00 0.85 H new ATOM 1360 N LEU A 80 -3.951 -16.695 -10.096 1.00 0.66 N ATOM 1361 CA LEU A 80 -3.553 -16.499 -8.726 1.00 0.70 C ATOM 1362 C LEU A 80 -4.752 -16.492 -7.786 1.00 0.74 C ATOM 1363 O LEU A 80 -4.676 -16.998 -6.669 1.00 0.80 O ATOM 1364 CB LEU A 80 -2.793 -15.183 -8.653 1.00 0.71 C ATOM 1365 CG LEU A 80 -1.305 -15.254 -9.017 1.00 0.66 C ATOM 1366 CD1 LEU A 80 -0.991 -16.294 -10.087 1.00 0.97 C ATOM 1367 CD2 LEU A 80 -0.810 -13.891 -9.471 1.00 0.98 C ATOM 0 H LEU A 80 -3.828 -15.868 -10.680 1.00 0.66 H new ATOM 0 HA LEU A 80 -2.918 -17.325 -8.404 1.00 0.70 H new ATOM 0 HB2 LEU A 80 -3.277 -14.468 -9.318 1.00 0.71 H new ATOM 0 HB3 LEU A 80 -2.882 -14.789 -7.641 1.00 0.71 H new ATOM 0 HG LEU A 80 -0.784 -15.564 -8.111 1.00 0.66 H new ATOM 0 HD11 LEU A 80 0.079 -16.290 -10.295 1.00 0.97 H new ATOM 0 HD12 LEU A 80 -1.288 -17.281 -9.733 1.00 0.97 H new ATOM 0 HD13 LEU A 80 -1.539 -16.055 -10.998 1.00 0.97 H new ATOM 0 HD21 LEU A 80 0.248 -13.955 -9.727 1.00 0.98 H new ATOM 0 HD22 LEU A 80 -1.376 -13.571 -10.346 1.00 0.98 H new ATOM 0 HD23 LEU A 80 -0.946 -13.168 -8.667 1.00 0.98 H new ATOM 1379 N LYS A 81 -5.861 -15.925 -8.240 1.00 0.74 N ATOM 1380 CA LYS A 81 -7.077 -15.916 -7.443 1.00 0.79 C ATOM 1381 C LYS A 81 -7.590 -17.337 -7.261 1.00 0.77 C ATOM 1382 O LYS A 81 -7.999 -17.726 -6.169 1.00 0.79 O ATOM 1383 CB LYS A 81 -8.158 -15.055 -8.097 1.00 0.83 C ATOM 1384 CG LYS A 81 -9.405 -14.896 -7.242 1.00 1.18 C ATOM 1385 CD LYS A 81 -9.107 -14.121 -5.966 1.00 1.34 C ATOM 1386 CE LYS A 81 -10.304 -14.089 -5.029 1.00 1.68 C ATOM 1387 NZ LYS A 81 -11.516 -13.523 -5.678 1.00 2.12 N ATOM 0 H LYS A 81 -5.943 -15.469 -9.149 1.00 0.74 H new ATOM 0 HA LYS A 81 -6.841 -15.487 -6.469 1.00 0.79 H new ATOM 0 HB2 LYS A 81 -7.746 -14.069 -8.312 1.00 0.83 H new ATOM 0 HB3 LYS A 81 -8.436 -15.499 -9.053 1.00 0.83 H new ATOM 0 HG2 LYS A 81 -10.176 -14.378 -7.813 1.00 1.18 H new ATOM 0 HG3 LYS A 81 -9.802 -15.879 -6.988 1.00 1.18 H new ATOM 0 HD2 LYS A 81 -8.258 -14.576 -5.455 1.00 1.34 H new ATOM 0 HD3 LYS A 81 -8.817 -13.101 -6.220 1.00 1.34 H new ATOM 0 HE2 LYS A 81 -10.519 -15.100 -4.683 1.00 1.68 H new ATOM 0 HE3 LYS A 81 -10.057 -13.497 -4.148 1.00 1.68 H new ATOM 0 HZ1 LYS A 81 -12.269 -13.412 -4.970 1.00 2.12 H new ATOM 0 HZ2 LYS A 81 -11.288 -12.596 -6.090 1.00 2.12 H new ATOM 0 HZ3 LYS A 81 -11.839 -14.165 -6.429 1.00 2.12 H new ATOM 1401 N ASN A 82 -7.552 -18.114 -8.338 1.00 0.75 N ATOM 1402 CA ASN A 82 -7.988 -19.500 -8.277 1.00 0.75 C ATOM 1403 C ASN A 82 -6.950 -20.334 -7.557 1.00 0.74 C ATOM 1404 O ASN A 82 -7.262 -21.397 -7.041 1.00 0.80 O ATOM 1405 CB ASN A 82 -8.251 -20.054 -9.674 1.00 0.73 C ATOM 1406 CG ASN A 82 -8.915 -21.421 -9.654 1.00 0.87 C ATOM 1407 OD1 ASN A 82 -10.141 -21.524 -9.611 1.00 1.42 O ATOM 1408 ND2 ASN A 82 -8.115 -22.474 -9.700 1.00 1.54 N ATOM 0 H ASN A 82 -7.226 -17.809 -9.255 1.00 0.75 H new ATOM 0 HA ASN A 82 -8.925 -19.545 -7.722 1.00 0.75 H new ATOM 0 HB2 ASN A 82 -8.884 -19.356 -10.223 1.00 0.73 H new ATOM 0 HB3 ASN A 82 -7.308 -20.122 -10.216 1.00 0.73 H new ATOM 0 HD21 ASN A 82 -8.510 -23.415 -9.701 1.00 1.54 H new ATOM 0 HD22 ASN A 82 -7.104 -22.345 -9.735 1.00 1.54 H new ATOM 1415 N LEU A 83 -5.733 -19.845 -7.484 1.00 0.72 N ATOM 1416 CA LEU A 83 -4.743 -20.485 -6.674 1.00 0.72 C ATOM 1417 C LEU A 83 -5.140 -20.317 -5.218 1.00 0.74 C ATOM 1418 O LEU A 83 -5.353 -21.293 -4.500 1.00 0.77 O ATOM 1419 CB LEU A 83 -3.381 -19.864 -6.950 1.00 0.75 C ATOM 1420 CG LEU A 83 -2.563 -20.512 -8.075 1.00 0.73 C ATOM 1421 CD1 LEU A 83 -1.269 -19.747 -8.300 1.00 1.05 C ATOM 1422 CD2 LEU A 83 -2.259 -21.969 -7.759 1.00 1.37 C ATOM 0 H LEU A 83 -5.414 -19.010 -7.976 1.00 0.72 H new ATOM 0 HA LEU A 83 -4.678 -21.548 -6.906 1.00 0.72 H new ATOM 0 HB2 LEU A 83 -3.526 -18.811 -7.193 1.00 0.75 H new ATOM 0 HB3 LEU A 83 -2.794 -19.902 -6.032 1.00 0.75 H new ATOM 0 HG LEU A 83 -3.159 -20.475 -8.987 1.00 0.73 H new ATOM 0 HD11 LEU A 83 -0.701 -20.220 -9.101 1.00 1.05 H new ATOM 0 HD12 LEU A 83 -1.498 -18.718 -8.576 1.00 1.05 H new ATOM 0 HD13 LEU A 83 -0.678 -19.754 -7.384 1.00 1.05 H new ATOM 0 HD21 LEU A 83 -1.678 -22.404 -8.572 1.00 1.37 H new ATOM 0 HD22 LEU A 83 -1.687 -22.029 -6.833 1.00 1.37 H new ATOM 0 HD23 LEU A 83 -3.193 -22.519 -7.645 1.00 1.37 H new ATOM 1434 N LYS A 84 -5.275 -19.058 -4.816 1.00 0.76 N ATOM 1435 CA LYS A 84 -5.748 -18.693 -3.482 1.00 0.81 C ATOM 1436 C LYS A 84 -6.988 -19.506 -3.085 1.00 0.83 C ATOM 1437 O LYS A 84 -6.970 -20.241 -2.097 1.00 0.87 O ATOM 1438 CB LYS A 84 -6.075 -17.195 -3.474 1.00 0.88 C ATOM 1439 CG LYS A 84 -6.427 -16.626 -2.111 1.00 0.96 C ATOM 1440 CD LYS A 84 -6.859 -15.172 -2.235 1.00 1.19 C ATOM 1441 CE LYS A 84 -7.115 -14.539 -0.880 1.00 1.54 C ATOM 1442 NZ LYS A 84 -7.647 -13.155 -1.010 1.00 2.27 N ATOM 0 H LYS A 84 -5.059 -18.256 -5.408 1.00 0.76 H new ATOM 0 HA LYS A 84 -4.967 -18.914 -2.755 1.00 0.81 H new ATOM 0 HB2 LYS A 84 -5.219 -16.649 -3.870 1.00 0.88 H new ATOM 0 HB3 LYS A 84 -6.909 -17.016 -4.153 1.00 0.88 H new ATOM 0 HG2 LYS A 84 -7.228 -17.212 -1.662 1.00 0.96 H new ATOM 0 HG3 LYS A 84 -5.566 -16.700 -1.446 1.00 0.96 H new ATOM 0 HD2 LYS A 84 -6.088 -14.608 -2.759 1.00 1.19 H new ATOM 0 HD3 LYS A 84 -7.764 -15.113 -2.840 1.00 1.19 H new ATOM 0 HE2 LYS A 84 -7.824 -15.150 -0.321 1.00 1.54 H new ATOM 0 HE3 LYS A 84 -6.188 -14.520 -0.306 1.00 1.54 H new ATOM 0 HZ1 LYS A 84 -7.809 -12.755 -0.064 1.00 2.27 H new ATOM 0 HZ2 LYS A 84 -6.960 -12.566 -1.522 1.00 2.27 H new ATOM 0 HZ3 LYS A 84 -8.544 -13.176 -1.536 1.00 2.27 H new ATOM 1456 N ASP A 85 -8.044 -19.380 -3.881 1.00 0.84 N ATOM 1457 CA ASP A 85 -9.327 -20.048 -3.620 1.00 0.91 C ATOM 1458 C ASP A 85 -9.220 -21.576 -3.642 1.00 0.90 C ATOM 1459 O ASP A 85 -9.901 -22.256 -2.874 1.00 0.94 O ATOM 1460 CB ASP A 85 -10.347 -19.615 -4.673 1.00 0.98 C ATOM 1461 CG ASP A 85 -11.699 -20.276 -4.496 1.00 1.59 C ATOM 1462 OD1 ASP A 85 -12.474 -19.840 -3.620 1.00 1.48 O ATOM 1463 OD2 ASP A 85 -11.998 -21.230 -5.246 1.00 2.52 O ATOM 0 H ASP A 85 -8.041 -18.812 -4.728 1.00 0.84 H new ATOM 0 HA ASP A 85 -9.640 -19.753 -2.619 1.00 0.91 H new ATOM 0 HB2 ASP A 85 -10.469 -18.533 -4.629 1.00 0.98 H new ATOM 0 HB3 ASP A 85 -9.960 -19.852 -5.664 1.00 0.98 H new ATOM 1468 N SER A 86 -8.372 -22.122 -4.493 1.00 0.86 N ATOM 1469 CA SER A 86 -8.248 -23.572 -4.578 1.00 0.90 C ATOM 1470 C SER A 86 -7.367 -24.119 -3.454 1.00 0.84 C ATOM 1471 O SER A 86 -7.271 -25.330 -3.263 1.00 0.96 O ATOM 1472 CB SER A 86 -7.683 -23.989 -5.939 1.00 0.97 C ATOM 1473 OG SER A 86 -7.638 -25.399 -6.081 1.00 1.52 O ATOM 0 H SER A 86 -7.767 -21.599 -5.126 1.00 0.86 H new ATOM 0 HA SER A 86 -9.246 -23.995 -4.467 1.00 0.90 H new ATOM 0 HB2 SER A 86 -8.296 -23.563 -6.733 1.00 0.97 H new ATOM 0 HB3 SER A 86 -6.680 -23.580 -6.057 1.00 0.97 H new ATOM 0 HG SER A 86 -7.583 -25.815 -5.196 1.00 1.52 H new ATOM 1479 N GLY A 87 -6.748 -23.230 -2.697 1.00 0.80 N ATOM 1480 CA GLY A 87 -6.017 -23.652 -1.522 1.00 0.88 C ATOM 1481 C GLY A 87 -4.529 -23.667 -1.748 1.00 0.82 C ATOM 1482 O GLY A 87 -3.792 -24.303 -0.992 1.00 0.92 O ATOM 0 H GLY A 87 -6.738 -22.225 -2.874 1.00 0.80 H new ATOM 0 HA2 GLY A 87 -6.249 -22.983 -0.693 1.00 0.88 H new ATOM 0 HA3 GLY A 87 -6.348 -24.649 -1.230 1.00 0.88 H new ATOM 1486 N ALA A 88 -4.083 -22.982 -2.789 1.00 0.76 N ATOM 1487 CA ALA A 88 -2.663 -22.742 -2.955 1.00 0.76 C ATOM 1488 C ALA A 88 -2.193 -21.975 -1.732 1.00 0.80 C ATOM 1489 O ALA A 88 -2.775 -20.958 -1.349 1.00 0.83 O ATOM 1490 CB ALA A 88 -2.395 -21.948 -4.218 1.00 0.76 C ATOM 0 H ALA A 88 -4.675 -22.589 -3.520 1.00 0.76 H new ATOM 0 HA ALA A 88 -2.124 -23.685 -3.050 1.00 0.76 H new ATOM 0 HB1 ALA A 88 -1.323 -21.780 -4.322 1.00 0.76 H new ATOM 0 HB2 ALA A 88 -2.760 -22.504 -5.082 1.00 0.76 H new ATOM 0 HB3 ALA A 88 -2.909 -20.988 -4.160 1.00 0.76 H new ATOM 1496 N SER A 89 -1.151 -22.497 -1.121 1.00 0.81 N ATOM 1497 CA SER A 89 -0.594 -21.904 0.077 1.00 0.86 C ATOM 1498 C SER A 89 0.179 -20.635 -0.272 1.00 0.78 C ATOM 1499 O SER A 89 0.271 -20.263 -1.448 1.00 0.77 O ATOM 1500 CB SER A 89 0.301 -22.908 0.806 1.00 0.93 C ATOM 1501 OG SER A 89 0.620 -22.454 2.113 1.00 1.60 O ATOM 0 H SER A 89 -0.669 -23.338 -1.437 1.00 0.81 H new ATOM 0 HA SER A 89 -1.411 -21.633 0.746 1.00 0.86 H new ATOM 0 HB2 SER A 89 -0.203 -23.873 0.866 1.00 0.93 H new ATOM 0 HB3 SER A 89 1.218 -23.062 0.237 1.00 0.93 H new ATOM 0 HG SER A 89 0.211 -23.049 2.775 1.00 1.60 H new ATOM 1507 N LYS A 90 0.752 -19.993 0.729 1.00 0.76 N ATOM 1508 CA LYS A 90 1.412 -18.707 0.539 1.00 0.74 C ATOM 1509 C LYS A 90 2.540 -18.815 -0.484 1.00 0.69 C ATOM 1510 O LYS A 90 2.790 -17.881 -1.234 1.00 0.67 O ATOM 1511 CB LYS A 90 1.964 -18.167 1.867 1.00 0.81 C ATOM 1512 CG LYS A 90 0.898 -17.682 2.851 1.00 1.29 C ATOM 1513 CD LYS A 90 0.052 -18.821 3.409 1.00 1.77 C ATOM 1514 CE LYS A 90 0.878 -19.782 4.249 1.00 2.22 C ATOM 1515 NZ LYS A 90 0.082 -20.952 4.703 1.00 2.96 N ATOM 0 H LYS A 90 0.776 -20.340 1.688 1.00 0.76 H new ATOM 0 HA LYS A 90 0.664 -18.010 0.163 1.00 0.74 H new ATOM 0 HB2 LYS A 90 2.552 -18.950 2.346 1.00 0.81 H new ATOM 0 HB3 LYS A 90 2.645 -17.343 1.654 1.00 0.81 H new ATOM 0 HG2 LYS A 90 1.382 -17.157 3.675 1.00 1.29 H new ATOM 0 HG3 LYS A 90 0.248 -16.963 2.352 1.00 1.29 H new ATOM 0 HD2 LYS A 90 -0.755 -18.410 4.016 1.00 1.77 H new ATOM 0 HD3 LYS A 90 -0.412 -19.365 2.586 1.00 1.77 H new ATOM 0 HE2 LYS A 90 1.732 -20.129 3.668 1.00 2.22 H new ATOM 0 HE3 LYS A 90 1.275 -19.255 5.117 1.00 2.22 H new ATOM 0 HZ1 LYS A 90 0.566 -21.413 5.500 1.00 2.96 H new ATOM 0 HZ2 LYS A 90 -0.860 -20.634 5.007 1.00 2.96 H new ATOM 0 HZ3 LYS A 90 -0.017 -21.629 3.920 1.00 2.96 H new ATOM 1529 N GLU A 91 3.187 -19.971 -0.525 1.00 0.71 N ATOM 1530 CA GLU A 91 4.351 -20.176 -1.374 1.00 0.70 C ATOM 1531 C GLU A 91 3.971 -20.364 -2.848 1.00 0.67 C ATOM 1532 O GLU A 91 4.630 -19.840 -3.737 1.00 0.67 O ATOM 1533 CB GLU A 91 5.122 -21.392 -0.872 1.00 0.73 C ATOM 1534 CG GLU A 91 6.387 -21.686 -1.651 1.00 1.30 C ATOM 1535 CD GLU A 91 7.076 -22.944 -1.174 1.00 1.74 C ATOM 1536 OE1 GLU A 91 7.749 -22.901 -0.122 1.00 2.10 O ATOM 1537 OE2 GLU A 91 6.946 -23.990 -1.852 1.00 2.34 O ATOM 0 H GLU A 91 2.922 -20.788 0.025 1.00 0.71 H new ATOM 0 HA GLU A 91 4.973 -19.282 -1.318 1.00 0.70 H new ATOM 0 HB2 GLU A 91 5.381 -21.238 0.176 1.00 0.73 H new ATOM 0 HB3 GLU A 91 4.471 -22.265 -0.914 1.00 0.73 H new ATOM 0 HG2 GLU A 91 6.144 -21.786 -2.709 1.00 1.30 H new ATOM 0 HG3 GLU A 91 7.071 -20.843 -1.560 1.00 1.30 H new ATOM 1544 N GLU A 92 2.925 -21.142 -3.093 1.00 0.66 N ATOM 1545 CA GLU A 92 2.368 -21.343 -4.416 1.00 0.65 C ATOM 1546 C GLU A 92 1.949 -20.017 -5.008 1.00 0.60 C ATOM 1547 O GLU A 92 2.161 -19.760 -6.179 1.00 0.57 O ATOM 1548 CB GLU A 92 1.157 -22.244 -4.307 1.00 0.69 C ATOM 1549 CG GLU A 92 1.439 -23.560 -3.625 1.00 0.74 C ATOM 1550 CD GLU A 92 2.315 -24.475 -4.455 1.00 1.06 C ATOM 1551 OE1 GLU A 92 1.768 -25.221 -5.297 1.00 1.10 O ATOM 1552 OE2 GLU A 92 3.553 -24.456 -4.268 1.00 1.45 O ATOM 0 H GLU A 92 2.434 -21.658 -2.363 1.00 0.66 H new ATOM 0 HA GLU A 92 3.120 -21.799 -5.060 1.00 0.65 H new ATOM 0 HB2 GLU A 92 0.374 -21.721 -3.758 1.00 0.69 H new ATOM 0 HB3 GLU A 92 0.769 -22.439 -5.307 1.00 0.69 H new ATOM 0 HG2 GLU A 92 1.924 -23.371 -2.667 1.00 0.74 H new ATOM 0 HG3 GLU A 92 0.496 -24.063 -3.411 1.00 0.74 H new ATOM 1559 N LEU A 93 1.379 -19.167 -4.176 1.00 0.61 N ATOM 1560 CA LEU A 93 1.125 -17.800 -4.591 1.00 0.60 C ATOM 1561 C LEU A 93 2.464 -17.114 -4.709 1.00 0.61 C ATOM 1562 O LEU A 93 2.722 -16.511 -5.734 1.00 0.64 O ATOM 1563 CB LEU A 93 0.164 -17.108 -3.631 1.00 0.64 C ATOM 1564 CG LEU A 93 -1.273 -17.632 -3.737 1.00 0.69 C ATOM 1565 CD1 LEU A 93 -2.164 -17.042 -2.666 1.00 1.08 C ATOM 1566 CD2 LEU A 93 -1.839 -17.335 -5.114 1.00 1.07 C ATOM 0 H LEU A 93 1.087 -19.392 -3.225 1.00 0.61 H new ATOM 0 HA LEU A 93 0.626 -17.761 -5.559 1.00 0.60 H new ATOM 0 HB2 LEU A 93 0.520 -17.244 -2.610 1.00 0.64 H new ATOM 0 HB3 LEU A 93 0.169 -16.036 -3.830 1.00 0.64 H new ATOM 0 HG LEU A 93 -1.244 -18.711 -3.586 1.00 0.69 H new ATOM 0 HD11 LEU A 93 -3.174 -17.437 -2.774 1.00 1.08 H new ATOM 0 HD12 LEU A 93 -1.775 -17.306 -1.683 1.00 1.08 H new ATOM 0 HD13 LEU A 93 -2.186 -15.957 -2.768 1.00 1.08 H new ATOM 0 HD21 LEU A 93 -2.860 -17.712 -5.177 1.00 1.07 H new ATOM 0 HD22 LEU A 93 -1.839 -16.258 -5.283 1.00 1.07 H new ATOM 0 HD23 LEU A 93 -1.225 -17.821 -5.872 1.00 1.07 H new ATOM 1578 N LYS A 94 3.356 -17.251 -3.757 1.00 0.61 N ATOM 1579 CA LYS A 94 4.579 -16.467 -3.757 1.00 0.61 C ATOM 1580 C LYS A 94 5.370 -16.704 -5.018 1.00 0.66 C ATOM 1581 O LYS A 94 5.730 -15.772 -5.729 1.00 0.72 O ATOM 1582 CB LYS A 94 5.429 -16.820 -2.535 1.00 0.64 C ATOM 1583 CG LYS A 94 6.809 -16.175 -2.513 1.00 0.69 C ATOM 1584 CD LYS A 94 6.736 -14.664 -2.628 1.00 1.16 C ATOM 1585 CE LYS A 94 8.097 -14.023 -2.400 1.00 1.38 C ATOM 1586 NZ LYS A 94 9.139 -14.542 -3.330 1.00 2.06 N ATOM 0 H LYS A 94 3.263 -17.895 -2.972 1.00 0.61 H new ATOM 0 HA LYS A 94 4.308 -15.412 -3.714 1.00 0.61 H new ATOM 0 HB2 LYS A 94 4.889 -16.523 -1.636 1.00 0.64 H new ATOM 0 HB3 LYS A 94 5.548 -17.903 -2.492 1.00 0.64 H new ATOM 0 HG2 LYS A 94 7.319 -16.443 -1.588 1.00 0.69 H new ATOM 0 HG3 LYS A 94 7.407 -16.572 -3.333 1.00 0.69 H new ATOM 0 HD2 LYS A 94 6.364 -14.390 -3.615 1.00 1.16 H new ATOM 0 HD3 LYS A 94 6.023 -14.276 -1.900 1.00 1.16 H new ATOM 0 HE2 LYS A 94 8.011 -12.943 -2.523 1.00 1.38 H new ATOM 0 HE3 LYS A 94 8.411 -14.203 -1.372 1.00 1.38 H new ATOM 0 HZ1 LYS A 94 9.946 -14.902 -2.781 1.00 2.06 H new ATOM 0 HZ2 LYS A 94 8.740 -15.312 -3.904 1.00 2.06 H new ATOM 0 HZ3 LYS A 94 9.460 -13.775 -3.955 1.00 2.06 H new ATOM 1600 N ALA A 95 5.602 -17.960 -5.307 1.00 0.67 N ATOM 1601 CA ALA A 95 6.477 -18.320 -6.380 1.00 0.73 C ATOM 1602 C ALA A 95 5.809 -18.186 -7.737 1.00 0.73 C ATOM 1603 O ALA A 95 6.387 -17.625 -8.667 1.00 0.93 O ATOM 1604 CB ALA A 95 7.000 -19.733 -6.182 1.00 0.77 C ATOM 0 H ALA A 95 5.192 -18.749 -4.808 1.00 0.67 H new ATOM 0 HA ALA A 95 7.314 -17.622 -6.364 1.00 0.73 H new ATOM 0 HB1 ALA A 95 7.664 -19.994 -7.006 1.00 0.77 H new ATOM 0 HB2 ALA A 95 7.548 -19.790 -5.242 1.00 0.77 H new ATOM 0 HB3 ALA A 95 6.163 -20.431 -6.156 1.00 0.77 H new ATOM 1610 N LYS A 96 4.591 -18.721 -7.852 1.00 0.70 N ATOM 1611 CA LYS A 96 3.861 -18.638 -9.110 1.00 0.76 C ATOM 1612 C LYS A 96 3.657 -17.188 -9.582 1.00 0.58 C ATOM 1613 O LYS A 96 3.586 -16.908 -10.780 1.00 0.55 O ATOM 1614 CB LYS A 96 2.512 -19.333 -8.994 1.00 1.02 C ATOM 1615 CG LYS A 96 2.607 -20.848 -8.897 1.00 1.75 C ATOM 1616 CD LYS A 96 3.240 -21.457 -10.137 1.00 2.07 C ATOM 1617 CE LYS A 96 3.401 -22.959 -9.991 1.00 2.92 C ATOM 1618 NZ LYS A 96 3.961 -23.576 -11.220 1.00 3.11 N ATOM 0 H LYS A 96 4.100 -19.207 -7.101 1.00 0.70 H new ATOM 0 HA LYS A 96 4.472 -19.144 -9.857 1.00 0.76 H new ATOM 0 HB2 LYS A 96 1.993 -18.954 -8.113 1.00 1.02 H new ATOM 0 HB3 LYS A 96 1.904 -19.071 -9.860 1.00 1.02 H new ATOM 0 HG2 LYS A 96 3.194 -21.119 -8.019 1.00 1.75 H new ATOM 0 HG3 LYS A 96 1.610 -21.266 -8.756 1.00 1.75 H new ATOM 0 HD2 LYS A 96 2.623 -21.238 -11.008 1.00 2.07 H new ATOM 0 HD3 LYS A 96 4.214 -21.000 -10.313 1.00 2.07 H new ATOM 0 HE2 LYS A 96 4.055 -23.174 -9.146 1.00 2.92 H new ATOM 0 HE3 LYS A 96 2.433 -23.408 -9.767 1.00 2.92 H new ATOM 0 HZ1 LYS A 96 4.056 -24.602 -11.081 1.00 3.11 H new ATOM 0 HZ2 LYS A 96 3.324 -23.393 -12.022 1.00 3.11 H new ATOM 0 HZ3 LYS A 96 4.896 -23.166 -11.419 1.00 3.11 H new ATOM 1632 N VAL A 97 3.571 -16.278 -8.603 1.00 0.62 N ATOM 1633 CA VAL A 97 3.497 -14.846 -8.860 1.00 0.57 C ATOM 1634 C VAL A 97 4.826 -14.325 -9.401 1.00 0.54 C ATOM 1635 O VAL A 97 4.852 -13.568 -10.369 1.00 0.59 O ATOM 1636 CB VAL A 97 3.141 -14.056 -7.582 1.00 0.60 C ATOM 1637 CG1 VAL A 97 3.292 -12.568 -7.805 1.00 0.97 C ATOM 1638 CG2 VAL A 97 1.733 -14.368 -7.133 1.00 0.93 C ATOM 0 H VAL A 97 3.551 -16.521 -7.612 1.00 0.62 H new ATOM 0 HA VAL A 97 2.710 -14.698 -9.600 1.00 0.57 H new ATOM 0 HB VAL A 97 3.835 -14.363 -6.800 1.00 0.60 H new ATOM 0 HG11 VAL A 97 3.035 -12.035 -6.890 1.00 0.97 H new ATOM 0 HG12 VAL A 97 4.323 -12.344 -8.078 1.00 0.97 H new ATOM 0 HG13 VAL A 97 2.627 -12.251 -8.608 1.00 0.97 H new ATOM 0 HG21 VAL A 97 1.504 -13.800 -6.231 1.00 0.93 H new ATOM 0 HG22 VAL A 97 1.031 -14.096 -7.921 1.00 0.93 H new ATOM 0 HG23 VAL A 97 1.646 -15.434 -6.922 1.00 0.93 H new ATOM 1648 N GLU A 98 5.931 -14.737 -8.772 1.00 0.53 N ATOM 1649 CA GLU A 98 7.266 -14.326 -9.208 1.00 0.57 C ATOM 1650 C GLU A 98 7.478 -14.696 -10.670 1.00 0.52 C ATOM 1651 O GLU A 98 8.173 -13.996 -11.407 1.00 0.53 O ATOM 1652 CB GLU A 98 8.355 -14.989 -8.358 1.00 0.68 C ATOM 1653 CG GLU A 98 8.227 -14.737 -6.863 1.00 0.81 C ATOM 1654 CD GLU A 98 8.548 -13.313 -6.452 1.00 1.31 C ATOM 1655 OE1 GLU A 98 7.853 -12.390 -6.922 1.00 2.03 O ATOM 1656 OE2 GLU A 98 9.492 -13.106 -5.674 1.00 1.65 O ATOM 0 H GLU A 98 5.926 -15.354 -7.960 1.00 0.53 H new ATOM 0 HA GLU A 98 7.337 -13.245 -9.087 1.00 0.57 H new ATOM 0 HB2 GLU A 98 8.333 -16.064 -8.536 1.00 0.68 H new ATOM 0 HB3 GLU A 98 9.328 -14.630 -8.692 1.00 0.68 H new ATOM 0 HG2 GLU A 98 7.211 -14.975 -6.550 1.00 0.81 H new ATOM 0 HG3 GLU A 98 8.892 -15.417 -6.331 1.00 0.81 H new ATOM 1663 N GLU A 99 6.859 -15.795 -11.085 1.00 0.49 N ATOM 1664 CA GLU A 99 6.925 -16.233 -12.472 1.00 0.49 C ATOM 1665 C GLU A 99 6.217 -15.229 -13.366 1.00 0.48 C ATOM 1666 O GLU A 99 6.708 -14.892 -14.440 1.00 0.51 O ATOM 1667 CB GLU A 99 6.298 -17.619 -12.626 1.00 0.52 C ATOM 1668 CG GLU A 99 6.959 -18.683 -11.763 1.00 0.91 C ATOM 1669 CD GLU A 99 8.431 -18.857 -12.070 1.00 1.68 C ATOM 1670 OE1 GLU A 99 9.251 -18.107 -11.508 1.00 2.48 O ATOM 1671 OE2 GLU A 99 8.777 -19.748 -12.878 1.00 1.82 O ATOM 0 H GLU A 99 6.305 -16.400 -10.478 1.00 0.49 H new ATOM 0 HA GLU A 99 7.971 -16.296 -12.771 1.00 0.49 H new ATOM 0 HB2 GLU A 99 5.240 -17.561 -12.371 1.00 0.52 H new ATOM 0 HB3 GLU A 99 6.357 -17.922 -13.671 1.00 0.52 H new ATOM 0 HG2 GLU A 99 6.841 -18.417 -10.713 1.00 0.91 H new ATOM 0 HG3 GLU A 99 6.447 -19.634 -11.911 1.00 0.91 H new ATOM 1678 N ALA A 100 5.084 -14.722 -12.898 1.00 0.49 N ATOM 1679 CA ALA A 100 4.318 -13.744 -13.655 1.00 0.55 C ATOM 1680 C ALA A 100 5.017 -12.385 -13.650 1.00 0.54 C ATOM 1681 O ALA A 100 4.994 -11.659 -14.642 1.00 0.58 O ATOM 1682 CB ALA A 100 2.913 -13.632 -13.087 1.00 0.63 C ATOM 0 H ALA A 100 4.676 -14.973 -11.997 1.00 0.49 H new ATOM 0 HA ALA A 100 4.250 -14.079 -14.690 1.00 0.55 H new ATOM 0 HB1 ALA A 100 2.347 -12.898 -13.660 1.00 0.63 H new ATOM 0 HB2 ALA A 100 2.417 -14.601 -13.148 1.00 0.63 H new ATOM 0 HB3 ALA A 100 2.966 -13.317 -12.045 1.00 0.63 H new ATOM 1688 N LEU A 101 5.649 -12.059 -12.527 1.00 0.51 N ATOM 1689 CA LEU A 101 6.375 -10.805 -12.385 1.00 0.53 C ATOM 1690 C LEU A 101 7.705 -10.855 -13.129 1.00 0.51 C ATOM 1691 O LEU A 101 8.335 -9.826 -13.365 1.00 0.53 O ATOM 1692 CB LEU A 101 6.616 -10.496 -10.910 1.00 0.53 C ATOM 1693 CG LEU A 101 5.352 -10.331 -10.059 1.00 0.66 C ATOM 1694 CD1 LEU A 101 5.725 -10.070 -8.612 1.00 1.40 C ATOM 1695 CD2 LEU A 101 4.476 -9.206 -10.595 1.00 1.28 C ATOM 0 H LEU A 101 5.672 -12.652 -11.697 1.00 0.51 H new ATOM 0 HA LEU A 101 5.766 -10.013 -12.821 1.00 0.53 H new ATOM 0 HB2 LEU A 101 7.220 -11.296 -10.482 1.00 0.53 H new ATOM 0 HB3 LEU A 101 7.204 -9.581 -10.839 1.00 0.53 H new ATOM 0 HG LEU A 101 4.780 -11.257 -10.113 1.00 0.66 H new ATOM 0 HD11 LEU A 101 4.819 -9.955 -8.018 1.00 1.40 H new ATOM 0 HD12 LEU A 101 6.306 -10.909 -8.229 1.00 1.40 H new ATOM 0 HD13 LEU A 101 6.319 -9.158 -8.548 1.00 1.40 H new ATOM 0 HD21 LEU A 101 3.586 -9.110 -9.973 1.00 1.28 H new ATOM 0 HD22 LEU A 101 5.034 -8.270 -10.576 1.00 1.28 H new ATOM 0 HD23 LEU A 101 4.180 -9.432 -11.620 1.00 1.28 H new ATOM 1707 N HIS A 102 8.151 -12.049 -13.481 1.00 0.51 N ATOM 1708 CA HIS A 102 9.318 -12.175 -14.338 1.00 0.53 C ATOM 1709 C HIS A 102 8.850 -12.184 -15.785 1.00 0.56 C ATOM 1710 O HIS A 102 9.375 -11.444 -16.613 1.00 0.57 O ATOM 1711 CB HIS A 102 10.134 -13.420 -13.994 1.00 0.55 C ATOM 1712 CG HIS A 102 10.865 -13.321 -12.690 1.00 1.07 C ATOM 1713 ND1 HIS A 102 11.497 -14.393 -12.099 1.00 1.95 N ATOM 1714 CD2 HIS A 102 11.056 -12.270 -11.855 1.00 1.39 C ATOM 1715 CE1 HIS A 102 12.042 -14.006 -10.961 1.00 2.48 C ATOM 1716 NE2 HIS A 102 11.790 -12.724 -10.789 1.00 2.14 N ATOM 0 H HIS A 102 7.731 -12.932 -13.192 1.00 0.51 H new ATOM 0 HA HIS A 102 9.984 -11.327 -14.180 1.00 0.53 H new ATOM 0 HB2 HIS A 102 9.468 -14.282 -13.962 1.00 0.55 H new ATOM 0 HB3 HIS A 102 10.855 -13.603 -14.791 1.00 0.55 H new ATOM 0 HD2 HIS A 102 10.697 -11.262 -12.002 1.00 1.39 H new ATOM 0 HE1 HIS A 102 12.601 -14.635 -10.284 1.00 2.48 H new ATOM 0 HE2 HIS A 102 12.091 -12.161 -9.993 1.00 2.14 H new ATOM 1725 N ALA A 103 7.867 -13.026 -16.087 1.00 0.58 N ATOM 1726 CA ALA A 103 7.390 -13.214 -17.455 1.00 0.61 C ATOM 1727 C ALA A 103 6.722 -11.958 -18.029 1.00 0.61 C ATOM 1728 O ALA A 103 6.272 -11.966 -19.176 1.00 0.64 O ATOM 1729 CB ALA A 103 6.435 -14.394 -17.515 1.00 0.63 C ATOM 0 H ALA A 103 7.380 -13.595 -15.395 1.00 0.58 H new ATOM 0 HA ALA A 103 8.264 -13.416 -18.074 1.00 0.61 H new ATOM 0 HB1 ALA A 103 6.084 -14.527 -18.539 1.00 0.63 H new ATOM 0 HB2 ALA A 103 6.951 -15.297 -17.188 1.00 0.63 H new ATOM 0 HB3 ALA A 103 5.583 -14.206 -16.861 1.00 0.63 H new ATOM 1735 N VAL A 104 6.650 -10.889 -17.247 1.00 0.60 N ATOM 1736 CA VAL A 104 6.102 -9.645 -17.713 1.00 0.63 C ATOM 1737 C VAL A 104 7.188 -8.804 -18.387 1.00 0.76 C ATOM 1738 O VAL A 104 8.349 -8.811 -17.969 1.00 1.68 O ATOM 1739 CB VAL A 104 5.481 -8.873 -16.540 1.00 0.57 C ATOM 1740 CG1 VAL A 104 6.533 -8.573 -15.511 1.00 0.60 C ATOM 1741 CG2 VAL A 104 4.820 -7.602 -17.007 1.00 0.51 C ATOM 0 H VAL A 104 6.971 -10.870 -16.279 1.00 0.60 H new ATOM 0 HA VAL A 104 5.324 -9.857 -18.447 1.00 0.63 H new ATOM 0 HB VAL A 104 4.710 -9.498 -16.090 1.00 0.57 H new ATOM 0 HG11 VAL A 104 6.085 -8.025 -14.682 1.00 0.60 H new ATOM 0 HG12 VAL A 104 6.958 -9.507 -15.142 1.00 0.60 H new ATOM 0 HG13 VAL A 104 7.321 -7.969 -15.961 1.00 0.60 H new ATOM 0 HG21 VAL A 104 4.391 -7.080 -16.152 1.00 0.51 H new ATOM 0 HG22 VAL A 104 5.560 -6.963 -17.488 1.00 0.51 H new ATOM 0 HG23 VAL A 104 4.030 -7.843 -17.719 1.00 0.51 H new ATOM 1751 N THR A 105 6.800 -8.075 -19.419 1.00 0.77 N ATOM 1752 CA THR A 105 7.770 -7.252 -20.131 1.00 0.79 C ATOM 1753 C THR A 105 7.177 -5.934 -20.623 1.00 0.75 C ATOM 1754 O THR A 105 7.821 -5.215 -21.388 1.00 0.95 O ATOM 1755 CB THR A 105 8.383 -8.011 -21.324 1.00 0.94 C ATOM 1756 OG1 THR A 105 7.367 -8.744 -22.025 1.00 0.88 O ATOM 1757 CG2 THR A 105 9.483 -8.964 -20.874 1.00 1.03 C ATOM 0 H THR A 105 5.846 -8.033 -19.778 1.00 0.77 H new ATOM 0 HA THR A 105 8.551 -7.021 -19.407 1.00 0.79 H new ATOM 0 HB THR A 105 8.824 -7.271 -21.992 1.00 0.94 H new ATOM 0 HG1 THR A 105 7.770 -9.220 -22.781 1.00 0.88 H new ATOM 0 HG21 THR A 105 9.893 -9.482 -21.741 1.00 1.03 H new ATOM 0 HG22 THR A 105 10.275 -8.399 -20.381 1.00 1.03 H new ATOM 0 HG23 THR A 105 9.070 -9.693 -20.177 1.00 1.03 H new ATOM 1765 N ASP A 106 5.973 -5.600 -20.189 1.00 0.77 N ATOM 1766 CA ASP A 106 5.456 -4.257 -20.407 1.00 0.79 C ATOM 1767 C ASP A 106 5.976 -3.328 -19.318 1.00 0.73 C ATOM 1768 O ASP A 106 5.651 -3.488 -18.145 1.00 0.72 O ATOM 1769 CB ASP A 106 3.928 -4.245 -20.377 1.00 0.79 C ATOM 1770 CG ASP A 106 3.336 -2.956 -20.925 1.00 1.35 C ATOM 1771 OD1 ASP A 106 3.197 -1.988 -20.150 1.00 2.07 O ATOM 1772 OD2 ASP A 106 3.018 -2.900 -22.133 1.00 1.38 O ATOM 0 H ASP A 106 5.343 -6.228 -19.691 1.00 0.77 H new ATOM 0 HA ASP A 106 5.792 -3.919 -21.387 1.00 0.79 H new ATOM 0 HB2 ASP A 106 3.552 -5.087 -20.957 1.00 0.79 H new ATOM 0 HB3 ASP A 106 3.589 -4.388 -19.351 1.00 0.79 H new ATOM 1777 N GLU A 107 6.819 -2.394 -19.728 1.00 0.71 N ATOM 1778 CA GLU A 107 7.661 -1.623 -18.813 1.00 0.69 C ATOM 1779 C GLU A 107 6.891 -0.960 -17.673 1.00 0.66 C ATOM 1780 O GLU A 107 7.341 -0.973 -16.527 1.00 0.63 O ATOM 1781 CB GLU A 107 8.440 -0.565 -19.593 1.00 0.73 C ATOM 1782 CG GLU A 107 9.534 -1.150 -20.468 1.00 1.63 C ATOM 1783 CD GLU A 107 10.667 -1.740 -19.655 1.00 2.35 C ATOM 1784 OE1 GLU A 107 10.539 -2.901 -19.210 1.00 3.18 O ATOM 1785 OE2 GLU A 107 11.689 -1.055 -19.453 1.00 2.65 O ATOM 0 H GLU A 107 6.943 -2.144 -20.709 1.00 0.71 H new ATOM 0 HA GLU A 107 8.340 -2.338 -18.349 1.00 0.69 H new ATOM 0 HB2 GLU A 107 7.748 -0.000 -20.217 1.00 0.73 H new ATOM 0 HB3 GLU A 107 8.884 0.141 -18.891 1.00 0.73 H new ATOM 0 HG2 GLU A 107 9.109 -1.923 -21.109 1.00 1.63 H new ATOM 0 HG3 GLU A 107 9.927 -0.372 -21.123 1.00 1.63 H new ATOM 1792 N GLU A 108 5.734 -0.387 -17.988 1.00 0.67 N ATOM 1793 CA GLU A 108 4.893 0.247 -16.977 1.00 0.66 C ATOM 1794 C GLU A 108 4.481 -0.758 -15.907 1.00 0.58 C ATOM 1795 O GLU A 108 4.480 -0.441 -14.720 1.00 0.54 O ATOM 1796 CB GLU A 108 3.657 0.875 -17.616 1.00 0.76 C ATOM 1797 CG GLU A 108 3.983 1.993 -18.588 1.00 1.46 C ATOM 1798 CD GLU A 108 2.747 2.719 -19.065 1.00 2.09 C ATOM 1799 OE1 GLU A 108 2.098 2.243 -20.022 1.00 2.78 O ATOM 1800 OE2 GLU A 108 2.411 3.771 -18.476 1.00 2.40 O ATOM 0 H GLU A 108 5.357 -0.348 -18.935 1.00 0.67 H new ATOM 0 HA GLU A 108 5.476 1.037 -16.503 1.00 0.66 H new ATOM 0 HB2 GLU A 108 3.095 0.101 -18.139 1.00 0.76 H new ATOM 0 HB3 GLU A 108 3.009 1.264 -16.831 1.00 0.76 H new ATOM 0 HG2 GLU A 108 4.656 2.703 -18.108 1.00 1.46 H new ATOM 0 HG3 GLU A 108 4.514 1.581 -19.447 1.00 1.46 H new ATOM 1807 N LYS A 109 4.130 -1.969 -16.331 1.00 0.59 N ATOM 1808 CA LYS A 109 3.806 -3.050 -15.407 1.00 0.55 C ATOM 1809 C LYS A 109 4.974 -3.306 -14.453 1.00 0.51 C ATOM 1810 O LYS A 109 4.801 -3.429 -13.239 1.00 0.48 O ATOM 1811 CB LYS A 109 3.478 -4.331 -16.185 1.00 0.58 C ATOM 1812 CG LYS A 109 2.227 -4.237 -17.039 1.00 0.65 C ATOM 1813 CD LYS A 109 1.921 -5.564 -17.713 1.00 1.22 C ATOM 1814 CE LYS A 109 0.635 -5.511 -18.519 1.00 1.11 C ATOM 1815 NZ LYS A 109 0.304 -6.834 -19.110 1.00 1.81 N ATOM 0 H LYS A 109 4.063 -2.227 -17.316 1.00 0.59 H new ATOM 0 HA LYS A 109 2.934 -2.755 -14.823 1.00 0.55 H new ATOM 0 HB2 LYS A 109 4.324 -4.580 -16.826 1.00 0.58 H new ATOM 0 HB3 LYS A 109 3.361 -5.152 -15.478 1.00 0.58 H new ATOM 0 HG2 LYS A 109 1.382 -3.938 -16.419 1.00 0.65 H new ATOM 0 HG3 LYS A 109 2.357 -3.463 -17.796 1.00 0.65 H new ATOM 0 HD2 LYS A 109 2.748 -5.837 -18.368 1.00 1.22 H new ATOM 0 HD3 LYS A 109 1.843 -6.345 -16.957 1.00 1.22 H new ATOM 0 HE2 LYS A 109 -0.183 -5.183 -17.878 1.00 1.11 H new ATOM 0 HE3 LYS A 109 0.733 -4.771 -19.314 1.00 1.11 H new ATOM 0 HZ1 LYS A 109 -0.580 -6.760 -19.653 1.00 1.81 H new ATOM 0 HZ2 LYS A 109 1.074 -7.135 -19.741 1.00 1.81 H new ATOM 0 HZ3 LYS A 109 0.186 -7.534 -18.350 1.00 1.81 H new ATOM 1829 N LYS A 110 6.170 -3.342 -15.019 1.00 0.53 N ATOM 1830 CA LYS A 110 7.384 -3.630 -14.262 1.00 0.53 C ATOM 1831 C LYS A 110 7.822 -2.444 -13.408 1.00 0.51 C ATOM 1832 O LYS A 110 8.654 -2.571 -12.507 1.00 0.51 O ATOM 1833 CB LYS A 110 8.505 -3.981 -15.233 1.00 0.56 C ATOM 1834 CG LYS A 110 8.223 -5.207 -16.076 1.00 0.62 C ATOM 1835 CD LYS A 110 9.116 -5.280 -17.309 1.00 0.80 C ATOM 1836 CE LYS A 110 10.602 -5.253 -16.973 1.00 0.81 C ATOM 1837 NZ LYS A 110 11.117 -3.872 -16.749 1.00 1.14 N ATOM 0 H LYS A 110 6.329 -3.173 -16.012 1.00 0.53 H new ATOM 0 HA LYS A 110 7.170 -4.464 -13.594 1.00 0.53 H new ATOM 0 HB2 LYS A 110 8.681 -3.131 -15.892 1.00 0.56 H new ATOM 0 HB3 LYS A 110 9.424 -4.143 -14.669 1.00 0.56 H new ATOM 0 HG2 LYS A 110 8.369 -6.102 -15.471 1.00 0.62 H new ATOM 0 HG3 LYS A 110 7.178 -5.199 -16.387 1.00 0.62 H new ATOM 0 HD2 LYS A 110 8.891 -6.193 -17.860 1.00 0.80 H new ATOM 0 HD3 LYS A 110 8.883 -4.444 -17.969 1.00 0.80 H new ATOM 0 HE2 LYS A 110 10.779 -5.852 -16.079 1.00 0.81 H new ATOM 0 HE3 LYS A 110 11.162 -5.718 -17.784 1.00 0.81 H new ATOM 0 HZ1 LYS A 110 12.144 -3.854 -16.911 1.00 1.14 H new ATOM 0 HZ2 LYS A 110 10.651 -3.217 -17.409 1.00 1.14 H new ATOM 0 HZ3 LYS A 110 10.915 -3.581 -15.771 1.00 1.14 H new ATOM 1851 N GLN A 111 7.232 -1.300 -13.708 1.00 0.51 N ATOM 1852 CA GLN A 111 7.371 -0.138 -12.845 1.00 0.51 C ATOM 1853 C GLN A 111 6.647 -0.383 -11.521 1.00 0.50 C ATOM 1854 O GLN A 111 7.139 -0.026 -10.455 1.00 0.51 O ATOM 1855 CB GLN A 111 6.829 1.123 -13.521 1.00 0.52 C ATOM 1856 CG GLN A 111 6.932 2.366 -12.655 1.00 1.08 C ATOM 1857 CD GLN A 111 8.361 2.705 -12.283 1.00 1.23 C ATOM 1858 OE1 GLN A 111 9.294 2.465 -13.053 1.00 1.69 O ATOM 1859 NE2 GLN A 111 8.548 3.244 -11.093 1.00 1.61 N ATOM 0 H GLN A 111 6.656 -1.150 -14.536 1.00 0.51 H new ATOM 0 HA GLN A 111 8.432 0.017 -12.650 1.00 0.51 H new ATOM 0 HB2 GLN A 111 7.374 1.291 -14.450 1.00 0.52 H new ATOM 0 HB3 GLN A 111 5.785 0.962 -13.789 1.00 0.52 H new ATOM 0 HG2 GLN A 111 6.489 3.210 -13.184 1.00 1.08 H new ATOM 0 HG3 GLN A 111 6.350 2.219 -11.745 1.00 1.08 H new ATOM 0 HE21 GLN A 111 7.750 3.427 -10.485 1.00 1.61 H new ATOM 0 HE22 GLN A 111 9.491 3.477 -10.781 1.00 1.61 H new ATOM 1868 N TYR A 112 5.492 -1.034 -11.604 1.00 0.50 N ATOM 1869 CA TYR A 112 4.715 -1.384 -10.418 1.00 0.49 C ATOM 1870 C TYR A 112 5.418 -2.488 -9.641 1.00 0.49 C ATOM 1871 O TYR A 112 5.333 -2.551 -8.413 1.00 0.50 O ATOM 1872 CB TYR A 112 3.309 -1.835 -10.812 1.00 0.49 C ATOM 1873 CG TYR A 112 2.492 -0.753 -11.477 1.00 0.57 C ATOM 1874 CD1 TYR A 112 2.075 0.359 -10.765 1.00 0.70 C ATOM 1875 CD2 TYR A 112 2.138 -0.842 -12.818 1.00 0.66 C ATOM 1876 CE1 TYR A 112 1.326 1.351 -11.359 1.00 0.82 C ATOM 1877 CE2 TYR A 112 1.388 0.149 -13.424 1.00 0.75 C ATOM 1878 CZ TYR A 112 0.987 1.229 -12.716 1.00 0.80 C ATOM 1879 OH TYR A 112 0.240 2.234 -13.283 1.00 0.92 O ATOM 0 H TYR A 112 5.071 -1.332 -12.484 1.00 0.50 H new ATOM 0 HA TYR A 112 4.631 -0.501 -9.785 1.00 0.49 H new ATOM 0 HB2 TYR A 112 3.386 -2.688 -11.487 1.00 0.49 H new ATOM 0 HB3 TYR A 112 2.784 -2.180 -9.921 1.00 0.49 H new ATOM 0 HD1 TYR A 112 2.342 0.451 -9.723 1.00 0.70 H new ATOM 0 HD2 TYR A 112 2.454 -1.698 -13.396 1.00 0.66 H new ATOM 0 HE1 TYR A 112 1.004 2.210 -10.789 1.00 0.82 H new ATOM 0 HE2 TYR A 112 1.121 0.060 -14.467 1.00 0.75 H new ATOM 0 HH TYR A 112 0.075 2.027 -14.227 1.00 0.92 H new ATOM 1889 N ILE A 113 6.111 -3.360 -10.365 1.00 0.49 N ATOM 1890 CA ILE A 113 6.922 -4.393 -9.733 1.00 0.51 C ATOM 1891 C ILE A 113 7.988 -3.765 -8.842 1.00 0.53 C ATOM 1892 O ILE A 113 8.191 -4.188 -7.704 1.00 0.54 O ATOM 1893 CB ILE A 113 7.600 -5.304 -10.772 1.00 0.57 C ATOM 1894 CG1 ILE A 113 6.536 -6.043 -11.571 1.00 0.63 C ATOM 1895 CG2 ILE A 113 8.546 -6.289 -10.092 1.00 0.59 C ATOM 1896 CD1 ILE A 113 7.102 -7.031 -12.556 1.00 0.72 C ATOM 0 H ILE A 113 6.127 -3.372 -11.385 1.00 0.49 H new ATOM 0 HA ILE A 113 6.250 -5.002 -9.129 1.00 0.51 H new ATOM 0 HB ILE A 113 8.192 -4.690 -11.451 1.00 0.57 H new ATOM 0 HG12 ILE A 113 5.875 -6.568 -10.882 1.00 0.63 H new ATOM 0 HG13 ILE A 113 5.926 -5.316 -12.107 1.00 0.63 H new ATOM 0 HG21 ILE A 113 9.014 -6.923 -10.845 1.00 0.59 H new ATOM 0 HG22 ILE A 113 9.316 -5.739 -9.551 1.00 0.59 H new ATOM 0 HG23 ILE A 113 7.985 -6.910 -9.394 1.00 0.59 H new ATOM 0 HD11 ILE A 113 6.287 -7.520 -13.090 1.00 0.72 H new ATOM 0 HD12 ILE A 113 7.741 -6.509 -13.269 1.00 0.72 H new ATOM 0 HD13 ILE A 113 7.689 -7.780 -12.024 1.00 0.72 H new ATOM 1908 N ALA A 114 8.655 -2.744 -9.360 1.00 0.56 N ATOM 1909 CA ALA A 114 9.671 -2.035 -8.599 1.00 0.59 C ATOM 1910 C ALA A 114 9.030 -1.178 -7.514 1.00 0.59 C ATOM 1911 O ALA A 114 9.530 -1.112 -6.391 1.00 0.60 O ATOM 1912 CB ALA A 114 10.522 -1.182 -9.525 1.00 0.63 C ATOM 0 H ALA A 114 8.510 -2.388 -10.305 1.00 0.56 H new ATOM 0 HA ALA A 114 10.316 -2.768 -8.114 1.00 0.59 H new ATOM 0 HB1 ALA A 114 11.279 -0.656 -8.943 1.00 0.63 H new ATOM 0 HB2 ALA A 114 11.010 -1.820 -10.262 1.00 0.63 H new ATOM 0 HB3 ALA A 114 9.889 -0.457 -10.036 1.00 0.63 H new ATOM 1918 N ASP A 115 7.937 -0.506 -7.849 1.00 0.61 N ATOM 1919 CA ASP A 115 7.258 0.367 -6.898 1.00 0.66 C ATOM 1920 C ASP A 115 6.624 -0.424 -5.766 1.00 0.60 C ATOM 1921 O ASP A 115 7.036 -0.321 -4.616 1.00 0.59 O ATOM 1922 CB ASP A 115 6.184 1.218 -7.591 1.00 0.77 C ATOM 1923 CG ASP A 115 6.763 2.361 -8.403 1.00 1.03 C ATOM 1924 OD1 ASP A 115 7.948 2.712 -8.191 1.00 1.20 O ATOM 1925 OD2 ASP A 115 6.043 2.912 -9.260 1.00 1.73 O ATOM 0 H ASP A 115 7.501 -0.548 -8.770 1.00 0.61 H new ATOM 0 HA ASP A 115 8.018 1.027 -6.480 1.00 0.66 H new ATOM 0 HB2 ASP A 115 5.590 0.580 -8.245 1.00 0.77 H new ATOM 0 HB3 ASP A 115 5.507 1.622 -6.838 1.00 0.77 H new ATOM 1930 N PHE A 116 5.640 -1.231 -6.101 1.00 0.60 N ATOM 1931 CA PHE A 116 4.822 -1.864 -5.085 1.00 0.60 C ATOM 1932 C PHE A 116 5.277 -3.279 -4.772 1.00 0.56 C ATOM 1933 O PHE A 116 4.986 -3.772 -3.696 1.00 0.55 O ATOM 1934 CB PHE A 116 3.355 -1.866 -5.488 1.00 0.68 C ATOM 1935 CG PHE A 116 2.507 -0.986 -4.633 1.00 0.53 C ATOM 1936 CD1 PHE A 116 2.344 0.352 -4.951 1.00 1.11 C ATOM 1937 CD2 PHE A 116 1.878 -1.492 -3.510 1.00 1.01 C ATOM 1938 CE1 PHE A 116 1.569 1.174 -4.163 1.00 1.62 C ATOM 1939 CE2 PHE A 116 1.100 -0.672 -2.713 1.00 1.29 C ATOM 1940 CZ PHE A 116 0.913 0.635 -3.046 1.00 1.52 C ATOM 0 H PHE A 116 5.387 -1.464 -7.061 1.00 0.60 H new ATOM 0 HA PHE A 116 4.942 -1.271 -4.178 1.00 0.60 H new ATOM 0 HB2 PHE A 116 3.270 -1.544 -6.526 1.00 0.68 H new ATOM 0 HB3 PHE A 116 2.973 -2.886 -5.439 1.00 0.68 H new ATOM 0 HD1 PHE A 116 2.830 0.756 -5.827 1.00 1.11 H new ATOM 0 HD2 PHE A 116 1.995 -2.535 -3.254 1.00 1.01 H new ATOM 0 HE1 PHE A 116 1.467 2.222 -4.402 1.00 1.62 H new ATOM 0 HE2 PHE A 116 0.638 -1.070 -1.822 1.00 1.29 H new ATOM 0 HZ PHE A 116 0.260 1.256 -2.451 1.00 1.52 H new ATOM 1950 N GLY A 117 5.983 -3.918 -5.697 1.00 0.55 N ATOM 1951 CA GLY A 117 6.391 -5.312 -5.512 1.00 0.56 C ATOM 1952 C GLY A 117 6.930 -5.635 -4.112 1.00 0.54 C ATOM 1953 O GLY A 117 6.289 -6.378 -3.358 1.00 0.55 O ATOM 0 H GLY A 117 6.285 -3.500 -6.577 1.00 0.55 H new ATOM 0 HA2 GLY A 117 5.537 -5.958 -5.717 1.00 0.56 H new ATOM 0 HA3 GLY A 117 7.158 -5.554 -6.248 1.00 0.56 H new ATOM 1957 N PRO A 118 8.100 -5.083 -3.727 1.00 0.52 N ATOM 1958 CA PRO A 118 8.735 -5.379 -2.429 1.00 0.53 C ATOM 1959 C PRO A 118 7.819 -5.090 -1.238 1.00 0.46 C ATOM 1960 O PRO A 118 7.675 -5.914 -0.333 1.00 0.45 O ATOM 1961 CB PRO A 118 9.942 -4.436 -2.394 1.00 0.54 C ATOM 1962 CG PRO A 118 10.229 -4.130 -3.824 1.00 0.65 C ATOM 1963 CD PRO A 118 8.900 -4.131 -4.521 1.00 0.53 C ATOM 0 HA PRO A 118 8.989 -6.436 -2.346 1.00 0.53 H new ATOM 0 HB2 PRO A 118 9.719 -3.529 -1.833 1.00 0.54 H new ATOM 0 HB3 PRO A 118 10.798 -4.907 -1.911 1.00 0.54 H new ATOM 0 HG2 PRO A 118 10.722 -3.163 -3.925 1.00 0.65 H new ATOM 0 HG3 PRO A 118 10.897 -4.875 -4.256 1.00 0.65 H new ATOM 0 HD2 PRO A 118 8.450 -3.138 -4.531 1.00 0.53 H new ATOM 0 HD3 PRO A 118 8.991 -4.450 -5.559 1.00 0.53 H new ATOM 1971 N ALA A 119 7.199 -3.924 -1.257 1.00 0.46 N ATOM 1972 CA ALA A 119 6.342 -3.480 -0.166 1.00 0.42 C ATOM 1973 C ALA A 119 5.025 -4.250 -0.123 1.00 0.44 C ATOM 1974 O ALA A 119 4.464 -4.465 0.945 1.00 0.43 O ATOM 1975 CB ALA A 119 6.065 -1.991 -0.309 1.00 0.41 C ATOM 0 H ALA A 119 7.273 -3.258 -2.026 1.00 0.46 H new ATOM 0 HA ALA A 119 6.866 -3.675 0.770 1.00 0.42 H new ATOM 0 HB1 ALA A 119 5.424 -1.660 0.508 1.00 0.41 H new ATOM 0 HB2 ALA A 119 7.006 -1.441 -0.277 1.00 0.41 H new ATOM 0 HB3 ALA A 119 5.567 -1.803 -1.260 1.00 0.41 H new ATOM 1981 N CYS A 120 4.555 -4.696 -1.273 1.00 0.47 N ATOM 1982 CA CYS A 120 3.367 -5.538 -1.335 1.00 0.50 C ATOM 1983 C CYS A 120 3.651 -6.892 -0.694 1.00 0.52 C ATOM 1984 O CYS A 120 2.751 -7.550 -0.189 1.00 0.53 O ATOM 1985 CB CYS A 120 2.901 -5.734 -2.780 1.00 0.56 C ATOM 1986 SG CYS A 120 1.345 -6.674 -2.939 1.00 1.17 S ATOM 0 H CYS A 120 4.976 -4.491 -2.179 1.00 0.47 H new ATOM 0 HA CYS A 120 2.570 -5.037 -0.785 1.00 0.50 H new ATOM 0 HB2 CYS A 120 2.772 -4.757 -3.245 1.00 0.56 H new ATOM 0 HB3 CYS A 120 3.683 -6.250 -3.336 1.00 0.56 H new ATOM 1991 N LYS A 121 4.915 -7.299 -0.713 1.00 0.54 N ATOM 1992 CA LYS A 121 5.311 -8.571 -0.120 1.00 0.58 C ATOM 1993 C LYS A 121 5.167 -8.583 1.408 1.00 0.59 C ATOM 1994 O LYS A 121 4.803 -9.613 1.978 1.00 0.65 O ATOM 1995 CB LYS A 121 6.712 -8.941 -0.569 1.00 0.63 C ATOM 1996 CG LYS A 121 6.721 -9.367 -2.024 1.00 1.01 C ATOM 1997 CD LYS A 121 8.082 -9.841 -2.468 1.00 1.04 C ATOM 1998 CE LYS A 121 8.010 -10.461 -3.856 1.00 1.37 C ATOM 1999 NZ LYS A 121 9.356 -10.713 -4.438 1.00 1.47 N ATOM 0 H LYS A 121 5.680 -6.769 -1.131 1.00 0.54 H new ATOM 0 HA LYS A 121 4.623 -9.336 -0.481 1.00 0.58 H new ATOM 0 HB2 LYS A 121 7.379 -8.090 -0.431 1.00 0.63 H new ATOM 0 HB3 LYS A 121 7.095 -9.750 0.053 1.00 0.63 H new ATOM 0 HG2 LYS A 121 5.994 -10.165 -2.172 1.00 1.01 H new ATOM 0 HG3 LYS A 121 6.408 -8.530 -2.648 1.00 1.01 H new ATOM 0 HD2 LYS A 121 8.780 -9.004 -2.474 1.00 1.04 H new ATOM 0 HD3 LYS A 121 8.468 -10.572 -1.757 1.00 1.04 H new ATOM 0 HE2 LYS A 121 7.459 -11.400 -3.803 1.00 1.37 H new ATOM 0 HE3 LYS A 121 7.450 -9.800 -4.517 1.00 1.37 H new ATOM 0 HZ1 LYS A 121 9.482 -10.126 -5.288 1.00 1.47 H new ATOM 0 HZ2 LYS A 121 10.087 -10.472 -3.739 1.00 1.47 H new ATOM 0 HZ3 LYS A 121 9.441 -11.717 -4.695 1.00 1.47 H new ATOM 2013 N LYS A 122 5.469 -7.467 2.079 1.00 0.54 N ATOM 2014 CA LYS A 122 5.140 -7.352 3.508 1.00 0.55 C ATOM 2015 C LYS A 122 3.623 -7.208 3.648 1.00 0.53 C ATOM 2016 O LYS A 122 3.046 -7.623 4.651 1.00 0.57 O ATOM 2017 CB LYS A 122 5.885 -6.193 4.180 1.00 0.52 C ATOM 2018 CG LYS A 122 5.561 -4.819 3.624 1.00 0.46 C ATOM 2019 CD LYS A 122 6.385 -3.717 4.284 1.00 0.47 C ATOM 2020 CE LYS A 122 7.847 -3.727 3.838 1.00 1.15 C ATOM 2021 NZ LYS A 122 8.640 -4.821 4.466 1.00 1.50 N ATOM 0 H LYS A 122 5.927 -6.651 1.673 1.00 0.54 H new ATOM 0 HA LYS A 122 5.469 -8.254 4.024 1.00 0.55 H new ATOM 0 HB2 LYS A 122 5.655 -6.201 5.245 1.00 0.52 H new ATOM 0 HB3 LYS A 122 6.957 -6.365 4.084 1.00 0.52 H new ATOM 0 HG2 LYS A 122 5.744 -4.812 2.549 1.00 0.46 H new ATOM 0 HG3 LYS A 122 4.501 -4.612 3.768 1.00 0.46 H new ATOM 0 HD2 LYS A 122 5.944 -2.748 4.048 1.00 0.47 H new ATOM 0 HD3 LYS A 122 6.339 -3.833 5.367 1.00 0.47 H new ATOM 0 HE2 LYS A 122 7.890 -3.831 2.754 1.00 1.15 H new ATOM 0 HE3 LYS A 122 8.303 -2.768 4.084 1.00 1.15 H new ATOM 0 HZ1 LYS A 122 9.545 -4.441 4.810 1.00 1.50 H new ATOM 0 HZ2 LYS A 122 8.107 -5.222 5.264 1.00 1.50 H new ATOM 0 HZ3 LYS A 122 8.822 -5.565 3.763 1.00 1.50 H new ATOM 2035 N ILE A 123 2.993 -6.568 2.678 1.00 0.49 N ATOM 2036 CA ILE A 123 1.557 -6.314 2.743 1.00 0.48 C ATOM 2037 C ILE A 123 0.724 -7.599 2.665 1.00 0.51 C ATOM 2038 O ILE A 123 -0.179 -7.850 3.459 1.00 0.54 O ATOM 2039 CB ILE A 123 1.128 -5.330 1.651 1.00 0.46 C ATOM 2040 CG1 ILE A 123 1.679 -3.949 1.988 1.00 0.44 C ATOM 2041 CG2 ILE A 123 -0.385 -5.291 1.518 1.00 0.47 C ATOM 2042 CD1 ILE A 123 1.549 -2.956 0.868 1.00 0.44 C ATOM 0 H ILE A 123 3.448 -6.214 1.837 1.00 0.49 H new ATOM 0 HA ILE A 123 1.364 -5.868 3.719 1.00 0.48 H new ATOM 0 HB ILE A 123 1.529 -5.657 0.692 1.00 0.46 H new ATOM 0 HG12 ILE A 123 1.158 -3.564 2.865 1.00 0.44 H new ATOM 0 HG13 ILE A 123 2.731 -4.043 2.258 1.00 0.44 H new ATOM 0 HG21 ILE A 123 -0.663 -4.585 0.736 1.00 0.47 H new ATOM 0 HG22 ILE A 123 -0.753 -6.284 1.258 1.00 0.47 H new ATOM 0 HG23 ILE A 123 -0.825 -4.977 2.464 1.00 0.47 H new ATOM 0 HD11 ILE A 123 1.962 -1.997 1.182 1.00 0.44 H new ATOM 0 HD12 ILE A 123 2.094 -3.318 -0.004 1.00 0.44 H new ATOM 0 HD13 ILE A 123 0.497 -2.831 0.613 1.00 0.44 H new ATOM 2054 N TYR A 124 1.108 -8.418 1.697 1.00 0.52 N ATOM 2055 CA TYR A 124 0.641 -9.790 1.522 1.00 0.58 C ATOM 2056 C TYR A 124 1.354 -10.739 2.486 1.00 0.64 C ATOM 2057 O TYR A 124 1.312 -11.947 2.287 1.00 0.82 O ATOM 2058 CB TYR A 124 0.816 -10.254 0.076 1.00 0.59 C ATOM 2059 CG TYR A 124 -0.450 -10.108 -0.741 1.00 0.63 C ATOM 2060 CD1 TYR A 124 -0.742 -8.926 -1.408 1.00 0.95 C ATOM 2061 CD2 TYR A 124 -1.362 -11.152 -0.828 1.00 1.14 C ATOM 2062 CE1 TYR A 124 -1.907 -8.790 -2.140 1.00 1.05 C ATOM 2063 CE2 TYR A 124 -2.526 -11.024 -1.560 1.00 1.28 C ATOM 2064 CZ TYR A 124 -2.794 -9.841 -2.214 1.00 0.95 C ATOM 2065 OH TYR A 124 -3.954 -9.707 -2.943 1.00 1.17 O ATOM 0 H TYR A 124 1.780 -8.136 0.983 1.00 0.52 H new ATOM 0 HA TYR A 124 -0.424 -9.809 1.753 1.00 0.58 H new ATOM 0 HB2 TYR A 124 1.614 -9.678 -0.392 1.00 0.59 H new ATOM 0 HB3 TYR A 124 1.130 -11.298 0.069 1.00 0.59 H new ATOM 0 HD1 TYR A 124 -0.048 -8.100 -1.354 1.00 0.95 H new ATOM 0 HD2 TYR A 124 -1.157 -12.080 -0.314 1.00 1.14 H new ATOM 0 HE1 TYR A 124 -2.121 -7.863 -2.652 1.00 1.05 H new ATOM 0 HE2 TYR A 124 -3.223 -11.847 -1.620 1.00 1.28 H new ATOM 0 HH TYR A 124 -4.469 -10.539 -2.894 1.00 1.17 H new ATOM 2075 N GLY A 125 1.823 -10.149 3.598 1.00 0.73 N ATOM 2076 CA GLY A 125 3.032 -10.496 4.389 1.00 0.86 C ATOM 2077 C GLY A 125 3.672 -11.874 4.230 1.00 0.71 C ATOM 2078 O GLY A 125 4.271 -12.392 5.172 1.00 0.78 O ATOM 0 H GLY A 125 1.333 -9.353 4.006 1.00 0.73 H new ATOM 0 HA2 GLY A 125 3.796 -9.754 4.158 1.00 0.86 H new ATOM 0 HA3 GLY A 125 2.778 -10.375 5.442 1.00 0.86 H new ATOM 2082 N VAL A 126 3.534 -12.454 3.060 1.00 0.71 N ATOM 2083 CA VAL A 126 4.252 -13.659 2.668 1.00 0.84 C ATOM 2084 C VAL A 126 5.748 -13.530 2.969 1.00 0.99 C ATOM 2085 O VAL A 126 6.395 -14.495 3.375 1.00 1.53 O ATOM 2086 CB VAL A 126 4.036 -13.945 1.159 1.00 0.93 C ATOM 2087 CG1 VAL A 126 4.295 -12.700 0.321 1.00 1.38 C ATOM 2088 CG2 VAL A 126 4.918 -15.087 0.683 1.00 0.98 C ATOM 0 H VAL A 126 2.909 -12.100 2.336 1.00 0.71 H new ATOM 0 HA VAL A 126 3.857 -14.492 3.249 1.00 0.84 H new ATOM 0 HB VAL A 126 2.994 -14.238 1.031 1.00 0.93 H new ATOM 0 HG11 VAL A 126 4.136 -12.931 -0.732 1.00 1.38 H new ATOM 0 HG12 VAL A 126 3.612 -11.907 0.626 1.00 1.38 H new ATOM 0 HG13 VAL A 126 5.323 -12.369 0.469 1.00 1.38 H new ATOM 0 HG21 VAL A 126 4.744 -15.263 -0.378 1.00 0.98 H new ATOM 0 HG22 VAL A 126 5.965 -14.828 0.841 1.00 0.98 H new ATOM 0 HG23 VAL A 126 4.679 -15.990 1.245 1.00 0.98 H new