USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 880 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 151 SER OG : rot 177:sc= -0.445 USER MOD Set 1.2: A 154 THR OG1 : rot 145:sc= 0.852 USER MOD Set 2.1: A 19 HIS : no HE2:sc= -0.879 K(o=-0.82,f=-2.1) USER MOD Set 2.2: A 96 THR OG1 : rot -100:sc= 0.0632 USER MOD Set 3.1: A 49 GLN :FLIP amide:sc= -0.343 F(o=-1.2!,f=-0.34) USER MOD Set 3.2: A 58 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 31 SER OG : rot -120:sc= 0.99 USER MOD Set 4.2: A 155 LYS NZ :NH3+ 175:sc= 1.99 (180deg=0.805) USER MOD Set 5.1: A 16 HIS : no HD1:sc= -3.64 K(o=-4.1,f=-5.6!) USER MOD Set 5.2: A 93 MET CE :methyl 163:sc= -0.504 (180deg=-1.42!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -164:sc= -0.0114 (180deg=-0.618) USER MOD Single : A 21 LYS NZ :NH3+ -176:sc= 0.0183 (180deg=0.0175) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 HIS :FLIP no HD1:sc= -0.0847 F(o=-0.62,f=-0.085) USER MOD Single : A 48 TYR OH : rot 35:sc= -1.3! USER MOD Single : A 95 GLN : amide:sc= 0.137 K(o=0.14,f=-3.6!) USER MOD Single : A 101 ASN : amide:sc= -2.45! C(o=-2.4!,f=-2.2!) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 104 LYS NZ :NH3+ -129:sc= 1.13 (180deg=-0.0575) USER MOD Single : A 107 ASN : amide:sc= -0.656 X(o=-0.66,f=-0.8) USER MOD Single : A 115 ASN : amide:sc= 0.637 K(o=0.64,f=-3!) USER MOD Single : A 116 LYS NZ :NH3+ -153:sc= 1.25 (180deg=1.22) USER MOD Single : A 117 MET CE :methyl -105:sc= -1.53 (180deg=-5.13!) USER MOD Single : A 123 ASN : amide:sc= -0.494 K(o=-0.49,f=-6.4!) USER MOD Single : A 128 MET CE :methyl -122:sc= -2.34 (180deg=-4.66!) USER MOD Single : A 129 GLN : amide:sc= 0.908 K(o=0.91,f=-0.65) USER MOD Single : A 132 MET CE :methyl 154:sc= -1.58! (180deg=-5.41!) USER MOD Single : A 134 TYR OH : rot -175:sc= -4.8! USER MOD Single : A 135 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 145 THR OG1 : rot -60:sc= -1.23 USER MOD Single : A 148 CYS SG : rot -20:sc= -1.04 USER MOD Single : A 149 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00897) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 160 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 164 MET CE :methyl 138:sc= -1.95 (180deg=-4.57!) USER MOD ----------------------------------------------------------------- ATOM 155 N VAL A 11 -14.462 1.698 -4.984 1.00 0.67 N ATOM 156 CA VAL A 11 -13.043 1.656 -4.778 1.00 0.60 C ATOM 157 C VAL A 11 -12.748 0.994 -3.434 1.00 0.56 C ATOM 158 O VAL A 11 -12.894 1.611 -2.375 1.00 0.74 O ATOM 159 CB VAL A 11 -12.474 3.083 -4.821 1.00 0.61 C ATOM 160 CG1 VAL A 11 -11.034 3.094 -4.387 1.00 1.00 C ATOM 161 CG2 VAL A 11 -12.623 3.676 -6.216 1.00 0.98 C ATOM 0 HA VAL A 11 -12.569 1.072 -5.567 1.00 0.60 H new ATOM 0 HB VAL A 11 -13.042 3.700 -4.125 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -10.650 4.114 -4.425 1.00 1.00 H new ATOM 0 HG12 VAL A 11 -10.958 2.715 -3.368 1.00 1.00 H new ATOM 0 HG13 VAL A 11 -10.448 2.461 -5.054 1.00 1.00 H new ATOM 0 HG21 VAL A 11 -12.215 4.687 -6.227 1.00 0.98 H new ATOM 0 HG22 VAL A 11 -12.083 3.058 -6.934 1.00 0.98 H new ATOM 0 HG23 VAL A 11 -13.678 3.708 -6.487 1.00 0.98 H new ATOM 171 N THR A 12 -12.380 -0.275 -3.477 1.00 0.46 N ATOM 172 CA THR A 12 -12.121 -1.029 -2.266 1.00 0.45 C ATOM 173 C THR A 12 -10.712 -0.780 -1.742 1.00 0.39 C ATOM 174 O THR A 12 -9.721 -1.025 -2.437 1.00 0.43 O ATOM 175 CB THR A 12 -12.317 -2.542 -2.494 1.00 0.55 C ATOM 176 OG1 THR A 12 -13.658 -2.807 -2.932 1.00 0.66 O ATOM 177 CG2 THR A 12 -12.044 -3.321 -1.215 1.00 0.62 C ATOM 0 H THR A 12 -12.254 -0.804 -4.340 1.00 0.46 H new ATOM 0 HA THR A 12 -12.840 -0.684 -1.523 1.00 0.45 H new ATOM 0 HB THR A 12 -11.612 -2.862 -3.261 1.00 0.55 H new ATOM 0 HG1 THR A 12 -13.771 -3.770 -3.075 1.00 0.66 H new ATOM 0 HG21 THR A 12 -12.188 -4.386 -1.400 1.00 0.62 H new ATOM 0 HG22 THR A 12 -11.018 -3.144 -0.893 1.00 0.62 H new ATOM 0 HG23 THR A 12 -12.730 -2.992 -0.435 1.00 0.62 H new ATOM 185 N ILE A 13 -10.626 -0.280 -0.519 1.00 0.39 N ATOM 186 CA ILE A 13 -9.343 -0.122 0.138 1.00 0.38 C ATOM 187 C ILE A 13 -8.879 -1.463 0.687 1.00 0.37 C ATOM 188 O ILE A 13 -9.565 -2.098 1.491 1.00 0.51 O ATOM 189 CB ILE A 13 -9.389 0.922 1.277 1.00 0.50 C ATOM 190 CG1 ILE A 13 -9.735 2.302 0.713 1.00 0.86 C ATOM 191 CG2 ILE A 13 -8.059 0.965 2.019 1.00 0.80 C ATOM 192 CD1 ILE A 13 -9.699 3.411 1.743 1.00 1.03 C ATOM 0 H ILE A 13 -11.428 0.022 0.035 1.00 0.39 H new ATOM 0 HA ILE A 13 -8.637 0.243 -0.608 1.00 0.38 H new ATOM 0 HB ILE A 13 -10.164 0.630 1.986 1.00 0.50 H new ATOM 0 HG12 ILE A 13 -9.037 2.541 -0.089 1.00 0.86 H new ATOM 0 HG13 ILE A 13 -10.730 2.264 0.269 1.00 0.86 H new ATOM 0 HG21 ILE A 13 -8.111 1.706 2.817 1.00 0.80 H new ATOM 0 HG22 ILE A 13 -7.849 -0.015 2.447 1.00 0.80 H new ATOM 0 HG23 ILE A 13 -7.264 1.235 1.325 1.00 0.80 H new ATOM 0 HD11 ILE A 13 -9.955 4.358 1.267 1.00 1.03 H new ATOM 0 HD12 ILE A 13 -10.417 3.196 2.534 1.00 1.03 H new ATOM 0 HD13 ILE A 13 -8.698 3.479 2.170 1.00 1.03 H new ATOM 204 N MET A 14 -7.724 -1.887 0.224 1.00 0.31 N ATOM 205 CA MET A 14 -7.146 -3.169 0.602 1.00 0.35 C ATOM 206 C MET A 14 -5.912 -2.948 1.461 1.00 0.29 C ATOM 207 O MET A 14 -5.511 -1.808 1.673 1.00 0.46 O ATOM 208 CB MET A 14 -6.768 -3.959 -0.647 1.00 0.56 C ATOM 209 CG MET A 14 -7.960 -4.418 -1.464 1.00 0.75 C ATOM 210 SD MET A 14 -9.010 -5.579 -0.568 1.00 1.04 S ATOM 211 CE MET A 14 -10.045 -6.177 -1.897 1.00 0.77 C ATOM 0 H MET A 14 -7.152 -1.353 -0.430 1.00 0.31 H new ATOM 0 HA MET A 14 -7.883 -3.734 1.173 1.00 0.35 H new ATOM 0 HB2 MET A 14 -6.125 -3.343 -1.275 1.00 0.56 H new ATOM 0 HB3 MET A 14 -6.184 -4.831 -0.351 1.00 0.56 H new ATOM 0 HG2 MET A 14 -8.551 -3.550 -1.756 1.00 0.75 H new ATOM 0 HG3 MET A 14 -7.607 -4.887 -2.382 1.00 0.75 H new ATOM 0 HE1 MET A 14 -10.920 -6.676 -1.480 1.00 0.77 H new ATOM 0 HE2 MET A 14 -10.366 -5.338 -2.514 1.00 0.77 H new ATOM 0 HE3 MET A 14 -9.481 -6.882 -2.508 1.00 0.77 H new ATOM 221 N GLY A 15 -5.302 -4.024 1.946 1.00 0.34 N ATOM 222 CA GLY A 15 -4.134 -3.887 2.760 1.00 0.45 C ATOM 223 C GLY A 15 -4.318 -4.547 4.095 1.00 0.62 C ATOM 224 O GLY A 15 -5.387 -4.456 4.701 1.00 1.55 O ATOM 0 H GLY A 15 -5.605 -4.984 1.783 1.00 0.34 H new ATOM 0 HA2 GLY A 15 -3.278 -4.328 2.249 1.00 0.45 H new ATOM 0 HA3 GLY A 15 -3.910 -2.830 2.903 1.00 0.45 H new ATOM 228 N HIS A 16 -3.297 -5.263 4.509 1.00 0.51 N ATOM 229 CA HIS A 16 -3.246 -5.857 5.843 1.00 0.45 C ATOM 230 C HIS A 16 -3.678 -4.845 6.904 1.00 0.49 C ATOM 231 O HIS A 16 -3.282 -3.679 6.884 1.00 0.64 O ATOM 232 CB HIS A 16 -1.833 -6.368 6.156 1.00 0.43 C ATOM 233 CG HIS A 16 -1.753 -7.137 7.440 1.00 0.48 C ATOM 234 ND1 HIS A 16 -2.113 -8.456 7.499 1.00 0.62 N ATOM 235 CD2 HIS A 16 -1.386 -6.723 8.676 1.00 0.50 C ATOM 236 CE1 HIS A 16 -1.965 -8.818 8.761 1.00 0.66 C ATOM 237 NE2 HIS A 16 -1.528 -7.800 9.513 1.00 0.59 N ATOM 0 H HIS A 16 -2.475 -5.455 3.937 1.00 0.51 H new ATOM 0 HA HIS A 16 -3.937 -6.700 5.860 1.00 0.45 H new ATOM 0 HB2 HIS A 16 -1.494 -7.004 5.338 1.00 0.43 H new ATOM 0 HB3 HIS A 16 -1.150 -5.520 6.205 1.00 0.43 H new ATOM 0 HD2 HIS A 16 -1.047 -5.735 8.950 1.00 0.50 H new ATOM 0 HE1 HIS A 16 -2.170 -9.809 9.138 1.00 0.66 H new ATOM 0 HE2 HIS A 16 -1.338 -7.821 10.515 1.00 0.59 H new ATOM 245 N VAL A 17 -4.501 -5.336 7.827 1.00 0.53 N ATOM 246 CA VAL A 17 -5.180 -4.515 8.825 1.00 0.67 C ATOM 247 C VAL A 17 -4.228 -3.629 9.636 1.00 0.64 C ATOM 248 O VAL A 17 -4.576 -2.497 9.974 1.00 0.78 O ATOM 249 CB VAL A 17 -6.012 -5.409 9.778 1.00 0.87 C ATOM 250 CG1 VAL A 17 -5.135 -6.457 10.451 1.00 1.55 C ATOM 251 CG2 VAL A 17 -6.748 -4.573 10.817 1.00 1.62 C ATOM 0 H VAL A 17 -4.718 -6.330 7.904 1.00 0.53 H new ATOM 0 HA VAL A 17 -5.837 -3.843 8.273 1.00 0.67 H new ATOM 0 HB VAL A 17 -6.758 -5.928 9.175 1.00 0.87 H new ATOM 0 HG11 VAL A 17 -5.745 -7.070 11.114 1.00 1.55 H new ATOM 0 HG12 VAL A 17 -4.676 -7.090 9.691 1.00 1.55 H new ATOM 0 HG13 VAL A 17 -4.355 -5.962 11.030 1.00 1.55 H new ATOM 0 HG21 VAL A 17 -7.323 -5.229 11.471 1.00 1.62 H new ATOM 0 HG22 VAL A 17 -6.026 -4.011 11.410 1.00 1.62 H new ATOM 0 HG23 VAL A 17 -7.422 -3.880 10.315 1.00 1.62 H new ATOM 261 N ASP A 18 -3.027 -4.123 9.922 1.00 0.57 N ATOM 262 CA ASP A 18 -2.089 -3.396 10.780 1.00 0.61 C ATOM 263 C ASP A 18 -1.474 -2.211 10.041 1.00 0.56 C ATOM 264 O ASP A 18 -0.952 -1.285 10.658 1.00 0.69 O ATOM 265 CB ASP A 18 -0.979 -4.326 11.284 1.00 0.69 C ATOM 266 CG ASP A 18 -0.178 -3.725 12.431 1.00 1.06 C ATOM 267 OD1 ASP A 18 0.715 -2.893 12.165 1.00 1.17 O ATOM 268 OD2 ASP A 18 -0.434 -4.072 13.605 1.00 1.78 O ATOM 0 H ASP A 18 -2.679 -5.017 9.576 1.00 0.57 H new ATOM 0 HA ASP A 18 -2.650 -3.019 11.635 1.00 0.61 H new ATOM 0 HB2 ASP A 18 -1.421 -5.267 11.610 1.00 0.69 H new ATOM 0 HB3 ASP A 18 -0.305 -4.559 10.460 1.00 0.69 H new ATOM 273 N HIS A 19 -1.549 -2.226 8.714 1.00 0.46 N ATOM 274 CA HIS A 19 -0.986 -1.149 7.912 1.00 0.48 C ATOM 275 C HIS A 19 -1.819 0.125 8.054 1.00 0.58 C ATOM 276 O HIS A 19 -1.394 1.213 7.659 1.00 0.65 O ATOM 277 CB HIS A 19 -0.880 -1.576 6.445 1.00 0.46 C ATOM 278 CG HIS A 19 0.162 -2.629 6.207 1.00 0.40 C ATOM 279 ND1 HIS A 19 0.274 -3.275 5.000 1.00 0.60 N ATOM 280 CD2 HIS A 19 1.117 -3.097 7.046 1.00 0.56 C ATOM 281 CE1 HIS A 19 1.290 -4.109 5.128 1.00 0.53 C ATOM 282 NE2 HIS A 19 1.831 -4.037 6.351 1.00 0.48 N ATOM 0 H HIS A 19 -1.992 -2.969 8.174 1.00 0.46 H new ATOM 0 HA HIS A 19 0.018 -0.933 8.278 1.00 0.48 H new ATOM 0 HB2 HIS A 19 -1.848 -1.951 6.112 1.00 0.46 H new ATOM 0 HB3 HIS A 19 -0.650 -0.702 5.835 1.00 0.46 H new ATOM 0 HD1 HIS A 19 -0.308 -3.139 4.174 1.00 0.60 H new ATOM 0 HD2 HIS A 19 1.284 -2.788 8.067 1.00 0.56 H new ATOM 0 HE1 HIS A 19 1.640 -4.766 4.346 1.00 0.53 H new ATOM 290 N GLY A 20 -3.003 -0.027 8.643 1.00 0.76 N ATOM 291 CA GLY A 20 -3.823 1.116 8.992 1.00 0.90 C ATOM 292 C GLY A 20 -4.642 1.642 7.834 1.00 0.81 C ATOM 293 O GLY A 20 -4.713 2.849 7.625 1.00 0.93 O ATOM 0 H GLY A 20 -3.410 -0.930 8.885 1.00 0.76 H new ATOM 0 HA2 GLY A 20 -4.493 0.838 9.805 1.00 0.90 H new ATOM 0 HA3 GLY A 20 -3.181 1.914 9.366 1.00 0.90 H new ATOM 297 N LYS A 21 -5.287 0.744 7.097 1.00 0.79 N ATOM 298 CA LYS A 21 -6.103 1.149 5.954 1.00 0.87 C ATOM 299 C LYS A 21 -7.330 1.930 6.413 1.00 0.89 C ATOM 300 O LYS A 21 -7.861 2.765 5.683 1.00 0.93 O ATOM 301 CB LYS A 21 -6.521 -0.067 5.119 1.00 1.09 C ATOM 302 CG LYS A 21 -7.235 -1.153 5.906 1.00 1.20 C ATOM 303 CD LYS A 21 -7.628 -2.312 5.004 1.00 1.39 C ATOM 304 CE LYS A 21 -8.241 -3.458 5.787 1.00 1.73 C ATOM 305 NZ LYS A 21 -8.531 -4.626 4.915 1.00 2.11 N ATOM 0 H LYS A 21 -5.263 -0.261 7.267 1.00 0.79 H new ATOM 0 HA LYS A 21 -5.497 1.801 5.325 1.00 0.87 H new ATOM 0 HB2 LYS A 21 -7.173 0.268 4.312 1.00 1.09 H new ATOM 0 HB3 LYS A 21 -5.633 -0.496 4.654 1.00 1.09 H new ATOM 0 HG2 LYS A 21 -6.587 -1.513 6.705 1.00 1.20 H new ATOM 0 HG3 LYS A 21 -8.125 -0.738 6.379 1.00 1.20 H new ATOM 0 HD2 LYS A 21 -8.339 -1.964 4.255 1.00 1.39 H new ATOM 0 HD3 LYS A 21 -6.749 -2.669 4.468 1.00 1.39 H new ATOM 0 HE2 LYS A 21 -7.561 -3.759 6.584 1.00 1.73 H new ATOM 0 HE3 LYS A 21 -9.162 -3.122 6.263 1.00 1.73 H new ATOM 0 HZ1 LYS A 21 -9.011 -5.363 5.470 1.00 2.11 H new ATOM 0 HZ2 LYS A 21 -9.145 -4.329 4.130 1.00 2.11 H new ATOM 0 HZ3 LYS A 21 -7.640 -5.004 4.534 1.00 2.11 H new ATOM 319 N THR A 22 -7.756 1.665 7.639 1.00 0.92 N ATOM 320 CA THR A 22 -8.883 2.366 8.233 1.00 1.00 C ATOM 321 C THR A 22 -8.525 3.836 8.481 1.00 0.99 C ATOM 322 O THR A 22 -9.381 4.721 8.424 1.00 1.03 O ATOM 323 CB THR A 22 -9.313 1.681 9.552 1.00 1.10 C ATOM 324 OG1 THR A 22 -10.389 2.392 10.170 1.00 1.80 O ATOM 325 CG2 THR A 22 -8.144 1.571 10.521 1.00 1.65 C ATOM 0 H THR A 22 -7.333 0.963 8.246 1.00 0.92 H new ATOM 0 HA THR A 22 -9.722 2.327 7.538 1.00 1.00 H new ATOM 0 HB THR A 22 -9.653 0.676 9.302 1.00 1.10 H new ATOM 0 HG1 THR A 22 -10.645 1.940 11.001 1.00 1.80 H new ATOM 0 HG21 THR A 22 -8.476 1.086 11.439 1.00 1.65 H new ATOM 0 HG22 THR A 22 -7.349 0.981 10.066 1.00 1.65 H new ATOM 0 HG23 THR A 22 -7.769 2.568 10.753 1.00 1.65 H new ATOM 333 N THR A 23 -7.239 4.091 8.702 1.00 0.99 N ATOM 334 CA THR A 23 -6.749 5.432 8.969 1.00 1.02 C ATOM 335 C THR A 23 -6.873 6.319 7.729 1.00 0.96 C ATOM 336 O THR A 23 -7.036 7.535 7.838 1.00 0.96 O ATOM 337 CB THR A 23 -5.288 5.374 9.449 1.00 1.12 C ATOM 338 OG1 THR A 23 -5.208 4.550 10.621 1.00 1.77 O ATOM 339 CG2 THR A 23 -4.747 6.760 9.758 1.00 1.41 C ATOM 0 H THR A 23 -6.513 3.375 8.700 1.00 0.99 H new ATOM 0 HA THR A 23 -7.361 5.872 9.756 1.00 1.02 H new ATOM 0 HB THR A 23 -4.681 4.950 8.649 1.00 1.12 H new ATOM 0 HG1 THR A 23 -4.279 4.509 10.929 1.00 1.77 H new ATOM 0 HG21 THR A 23 -3.713 6.680 10.094 1.00 1.41 H new ATOM 0 HG22 THR A 23 -4.790 7.376 8.860 1.00 1.41 H new ATOM 0 HG23 THR A 23 -5.349 7.219 10.542 1.00 1.41 H new ATOM 347 N LEU A 24 -6.818 5.701 6.555 1.00 0.96 N ATOM 348 CA LEU A 24 -7.001 6.426 5.300 1.00 0.96 C ATOM 349 C LEU A 24 -8.397 7.033 5.236 1.00 0.89 C ATOM 350 O LEU A 24 -8.553 8.230 4.995 1.00 0.91 O ATOM 351 CB LEU A 24 -6.776 5.510 4.085 1.00 1.06 C ATOM 352 CG LEU A 24 -5.315 5.180 3.741 1.00 0.88 C ATOM 353 CD1 LEU A 24 -4.507 6.452 3.548 1.00 1.78 C ATOM 354 CD2 LEU A 24 -4.679 4.301 4.805 1.00 1.57 C ATOM 0 H LEU A 24 -6.649 4.701 6.444 1.00 0.96 H new ATOM 0 HA LEU A 24 -6.259 7.224 5.269 1.00 0.96 H new ATOM 0 HB2 LEU A 24 -7.306 4.574 4.260 1.00 1.06 H new ATOM 0 HB3 LEU A 24 -7.235 5.978 3.214 1.00 1.06 H new ATOM 0 HG LEU A 24 -5.315 4.623 2.804 1.00 0.88 H new ATOM 0 HD11 LEU A 24 -3.476 6.195 3.305 1.00 1.78 H new ATOM 0 HD12 LEU A 24 -4.937 7.036 2.734 1.00 1.78 H new ATOM 0 HD13 LEU A 24 -4.528 7.039 4.466 1.00 1.78 H new ATOM 0 HD21 LEU A 24 -3.646 4.087 4.530 1.00 1.57 H new ATOM 0 HD22 LEU A 24 -4.700 4.818 5.764 1.00 1.57 H new ATOM 0 HD23 LEU A 24 -5.234 3.367 4.885 1.00 1.57 H new ATOM 366 N LEU A 25 -9.411 6.211 5.484 1.00 0.88 N ATOM 367 CA LEU A 25 -10.791 6.673 5.435 1.00 0.91 C ATOM 368 C LEU A 25 -11.123 7.567 6.625 1.00 0.89 C ATOM 369 O LEU A 25 -12.033 8.393 6.557 1.00 0.92 O ATOM 370 CB LEU A 25 -11.761 5.495 5.369 1.00 1.02 C ATOM 371 CG LEU A 25 -11.987 4.914 3.968 1.00 1.21 C ATOM 372 CD1 LEU A 25 -13.265 4.089 3.920 1.00 1.76 C ATOM 373 CD2 LEU A 25 -12.034 6.020 2.927 1.00 1.96 C ATOM 0 H LEU A 25 -9.303 5.225 5.720 1.00 0.88 H new ATOM 0 HA LEU A 25 -10.903 7.265 4.527 1.00 0.91 H new ATOM 0 HB2 LEU A 25 -11.390 4.702 6.018 1.00 1.02 H new ATOM 0 HB3 LEU A 25 -12.722 5.813 5.772 1.00 1.02 H new ATOM 0 HG LEU A 25 -11.147 4.258 3.739 1.00 1.21 H new ATOM 0 HD11 LEU A 25 -13.402 3.688 2.916 1.00 1.76 H new ATOM 0 HD12 LEU A 25 -13.194 3.267 4.632 1.00 1.76 H new ATOM 0 HD13 LEU A 25 -14.115 4.720 4.178 1.00 1.76 H new ATOM 0 HD21 LEU A 25 -12.195 5.585 1.941 1.00 1.96 H new ATOM 0 HD22 LEU A 25 -12.850 6.704 3.160 1.00 1.96 H new ATOM 0 HD23 LEU A 25 -11.090 6.566 2.933 1.00 1.96 H new ATOM 385 N ASP A 26 -10.407 7.385 7.714 1.00 0.91 N ATOM 386 CA ASP A 26 -10.534 8.277 8.864 1.00 0.96 C ATOM 387 C ASP A 26 -9.992 9.673 8.549 1.00 0.92 C ATOM 388 O ASP A 26 -10.660 10.677 8.794 1.00 0.95 O ATOM 389 CB ASP A 26 -9.826 7.704 10.074 1.00 1.05 C ATOM 390 CG ASP A 26 -9.810 8.668 11.243 1.00 1.21 C ATOM 391 OD1 ASP A 26 -10.838 8.772 11.942 1.00 1.35 O ATOM 392 OD2 ASP A 26 -8.765 9.316 11.474 1.00 1.38 O ATOM 0 H ASP A 26 -9.730 6.631 7.835 1.00 0.91 H new ATOM 0 HA ASP A 26 -11.596 8.367 9.091 1.00 0.96 H new ATOM 0 HB2 ASP A 26 -10.318 6.779 10.376 1.00 1.05 H new ATOM 0 HB3 ASP A 26 -8.802 7.447 9.804 1.00 1.05 H new ATOM 397 N ALA A 27 -8.790 9.730 7.992 1.00 0.89 N ATOM 398 CA ALA A 27 -8.176 11.001 7.621 1.00 0.89 C ATOM 399 C ALA A 27 -8.949 11.661 6.491 1.00 0.85 C ATOM 400 O ALA A 27 -9.034 12.886 6.414 1.00 0.90 O ATOM 401 CB ALA A 27 -6.726 10.785 7.215 1.00 0.91 C ATOM 0 H ALA A 27 -8.219 8.910 7.786 1.00 0.89 H new ATOM 0 HA ALA A 27 -8.203 11.663 8.486 1.00 0.89 H new ATOM 0 HB1 ALA A 27 -6.279 11.740 6.940 1.00 0.91 H new ATOM 0 HB2 ALA A 27 -6.175 10.353 8.050 1.00 0.91 H new ATOM 0 HB3 ALA A 27 -6.684 10.107 6.363 1.00 0.91 H new ATOM 407 N ILE A 28 -9.526 10.841 5.632 1.00 0.82 N ATOM 408 CA ILE A 28 -10.236 11.325 4.464 1.00 0.83 C ATOM 409 C ILE A 28 -11.615 11.873 4.849 1.00 0.88 C ATOM 410 O ILE A 28 -12.094 12.841 4.257 1.00 0.94 O ATOM 411 CB ILE A 28 -10.350 10.190 3.417 1.00 0.86 C ATOM 412 CG1 ILE A 28 -10.307 10.740 2.001 1.00 0.99 C ATOM 413 CG2 ILE A 28 -11.614 9.369 3.611 1.00 1.56 C ATOM 414 CD1 ILE A 28 -10.059 9.661 0.974 1.00 0.95 C ATOM 0 H ILE A 28 -9.516 9.825 5.724 1.00 0.82 H new ATOM 0 HA ILE A 28 -9.675 12.148 4.022 1.00 0.83 H new ATOM 0 HB ILE A 28 -9.491 9.537 3.568 1.00 0.86 H new ATOM 0 HG12 ILE A 28 -11.250 11.240 1.779 1.00 0.99 H new ATOM 0 HG13 ILE A 28 -9.522 11.493 1.930 1.00 0.99 H new ATOM 0 HG21 ILE A 28 -11.657 8.583 2.857 1.00 1.56 H new ATOM 0 HG22 ILE A 28 -11.607 8.919 4.604 1.00 1.56 H new ATOM 0 HG23 ILE A 28 -12.486 10.015 3.512 1.00 1.56 H new ATOM 0 HD11 ILE A 28 -10.037 10.104 -0.022 1.00 0.95 H new ATOM 0 HD12 ILE A 28 -9.103 9.178 1.177 1.00 0.95 H new ATOM 0 HD13 ILE A 28 -10.857 8.921 1.024 1.00 0.95 H new ATOM 426 N ARG A 29 -12.228 11.274 5.869 1.00 0.93 N ATOM 427 CA ARG A 29 -13.542 11.705 6.346 1.00 1.04 C ATOM 428 C ARG A 29 -13.403 12.992 7.136 1.00 1.08 C ATOM 429 O ARG A 29 -14.290 13.841 7.149 1.00 1.17 O ATOM 430 CB ARG A 29 -14.172 10.616 7.217 1.00 1.16 C ATOM 431 CG ARG A 29 -13.592 10.509 8.619 1.00 1.33 C ATOM 432 CD ARG A 29 -14.282 9.431 9.434 1.00 1.58 C ATOM 433 NE ARG A 29 -13.552 9.119 10.665 1.00 2.13 N ATOM 434 CZ ARG A 29 -14.130 8.822 11.829 1.00 2.85 C ATOM 435 NH1 ARG A 29 -15.449 8.885 11.960 1.00 3.29 N ATOM 436 NH2 ARG A 29 -13.376 8.497 12.868 1.00 3.56 N ATOM 0 H ARG A 29 -11.834 10.486 6.383 1.00 0.93 H new ATOM 0 HA ARG A 29 -14.191 11.882 5.488 1.00 1.04 H new ATOM 0 HB2 ARG A 29 -15.242 10.806 7.295 1.00 1.16 H new ATOM 0 HB3 ARG A 29 -14.054 9.655 6.716 1.00 1.16 H new ATOM 0 HG2 ARG A 29 -12.526 10.290 8.556 1.00 1.33 H new ATOM 0 HG3 ARG A 29 -13.691 11.468 9.127 1.00 1.33 H new ATOM 0 HD2 ARG A 29 -15.292 9.757 9.684 1.00 1.58 H new ATOM 0 HD3 ARG A 29 -14.379 8.528 8.832 1.00 1.58 H new ATOM 0 HE ARG A 29 -12.533 9.130 10.629 1.00 2.13 H new ATOM 0 HH11 ARG A 29 -16.028 9.162 11.167 1.00 3.29 H new ATOM 0 HH12 ARG A 29 -15.884 8.656 12.854 1.00 3.29 H new ATOM 0 HH21 ARG A 29 -12.361 8.475 12.774 1.00 3.56 H new ATOM 0 HH22 ARG A 29 -13.811 8.268 13.762 1.00 3.56 H new ATOM 450 N HIS A 30 -12.269 13.108 7.794 1.00 1.05 N ATOM 451 CA HIS A 30 -11.922 14.301 8.557 1.00 1.13 C ATOM 452 C HIS A 30 -11.352 15.397 7.660 1.00 1.15 C ATOM 453 O HIS A 30 -10.738 16.346 8.144 1.00 1.32 O ATOM 454 CB HIS A 30 -10.913 13.958 9.638 1.00 1.23 C ATOM 455 CG HIS A 30 -11.478 13.220 10.800 1.00 1.70 C ATOM 456 ND1 HIS A 30 -12.749 12.928 11.096 1.00 2.44 N flip ATOM 457 CD2 HIS A 30 -10.713 12.696 11.817 1.00 2.01 C flip ATOM 458 CE1 HIS A 30 -12.747 12.230 12.277 1.00 2.88 C flip ATOM 459 NE2 HIS A 30 -11.503 12.106 12.693 1.00 2.60 N flip ATOM 0 H HIS A 30 -11.556 12.379 7.819 1.00 1.05 H new ATOM 0 HA HIS A 30 -12.838 14.675 9.014 1.00 1.13 H new ATOM 0 HB2 HIS A 30 -10.116 13.359 9.196 1.00 1.23 H new ATOM 0 HB3 HIS A 30 -10.457 14.881 9.997 1.00 1.23 H new ATOM 0 HD2 HIS A 30 -9.637 12.758 11.887 1.00 2.01 H new ATOM 0 HE1 HIS A 30 -13.621 11.846 12.782 1.00 2.88 H new ATOM 0 HE2 HIS A 30 -11.202 11.635 13.546 1.00 2.60 H new ATOM 468 N SER A 31 -11.544 15.263 6.355 1.00 1.07 N ATOM 469 CA SER A 31 -10.927 16.175 5.404 1.00 1.19 C ATOM 470 C SER A 31 -11.923 16.618 4.335 1.00 1.32 C ATOM 471 O SER A 31 -12.281 17.795 4.253 1.00 1.76 O ATOM 472 CB SER A 31 -9.727 15.484 4.751 1.00 1.15 C ATOM 473 OG SER A 31 -8.959 16.375 3.957 1.00 1.50 O ATOM 0 H SER A 31 -12.120 14.535 5.933 1.00 1.07 H new ATOM 0 HA SER A 31 -10.596 17.065 5.939 1.00 1.19 H new ATOM 0 HB2 SER A 31 -9.093 15.053 5.526 1.00 1.15 H new ATOM 0 HB3 SER A 31 -10.079 14.659 4.131 1.00 1.15 H new ATOM 0 HG SER A 31 -8.942 16.056 3.031 1.00 1.50 H new ATOM 706 N TYR A 48 -18.119 5.206 2.568 1.00 1.05 N ATOM 707 CA TYR A 48 -18.606 6.516 2.164 1.00 1.04 C ATOM 708 C TYR A 48 -17.993 6.968 0.844 1.00 0.91 C ATOM 709 O TYR A 48 -16.958 6.460 0.415 1.00 0.86 O ATOM 710 CB TYR A 48 -18.355 7.572 3.246 1.00 1.16 C ATOM 711 CG TYR A 48 -17.243 7.261 4.233 1.00 1.12 C ATOM 712 CD1 TYR A 48 -15.926 7.617 3.980 1.00 1.31 C ATOM 713 CD2 TYR A 48 -17.535 6.642 5.444 1.00 1.34 C ATOM 714 CE1 TYR A 48 -14.933 7.368 4.908 1.00 1.73 C ATOM 715 CE2 TYR A 48 -16.548 6.383 6.371 1.00 1.77 C ATOM 716 CZ TYR A 48 -15.250 6.749 6.101 1.00 1.96 C ATOM 717 OH TYR A 48 -14.269 6.507 7.032 1.00 2.54 O ATOM 0 HA TYR A 48 -19.682 6.414 2.024 1.00 1.04 H new ATOM 0 HB2 TYR A 48 -18.125 8.518 2.756 1.00 1.16 H new ATOM 0 HB3 TYR A 48 -19.279 7.718 3.805 1.00 1.16 H new ATOM 0 HD1 TYR A 48 -15.674 8.095 3.045 1.00 1.31 H new ATOM 0 HD2 TYR A 48 -18.554 6.359 5.662 1.00 1.34 H new ATOM 0 HE1 TYR A 48 -13.913 7.656 4.701 1.00 1.73 H new ATOM 0 HE2 TYR A 48 -16.792 5.896 7.303 1.00 1.77 H new ATOM 0 HH TYR A 48 -13.615 7.236 7.015 1.00 2.54 H new ATOM 727 N GLN A 49 -18.651 7.927 0.213 1.00 1.01 N ATOM 728 CA GLN A 49 -18.176 8.510 -1.032 1.00 1.00 C ATOM 729 C GLN A 49 -17.670 9.910 -0.728 1.00 1.11 C ATOM 730 O GLN A 49 -18.457 10.802 -0.414 1.00 1.34 O ATOM 731 CB GLN A 49 -19.309 8.583 -2.062 1.00 1.16 C ATOM 732 CG GLN A 49 -20.040 7.264 -2.277 1.00 1.18 C ATOM 733 CD GLN A 49 -21.255 7.408 -3.178 1.00 1.42 C ATOM 734 OE1 GLN A 49 -21.874 8.582 -3.162 1.00 1.80 O flip ATOM 735 NE2 GLN A 49 -21.639 6.474 -3.879 1.00 1.96 N flip ATOM 0 H GLN A 49 -19.529 8.323 0.549 1.00 1.01 H new ATOM 0 HA GLN A 49 -17.380 7.893 -1.449 1.00 1.00 H new ATOM 0 HB2 GLN A 49 -20.028 9.337 -1.742 1.00 1.16 H new ATOM 0 HB3 GLN A 49 -18.899 8.918 -3.015 1.00 1.16 H new ATOM 0 HG2 GLN A 49 -19.353 6.539 -2.713 1.00 1.18 H new ATOM 0 HG3 GLN A 49 -20.353 6.865 -1.312 1.00 1.18 H new ATOM 0 HE21 GLN A 49 -21.137 5.586 -3.865 1.00 1.96 H new ATOM 0 HE22 GLN A 49 -22.459 6.587 -4.475 1.00 1.96 H new ATOM 744 N VAL A 50 -16.368 10.102 -0.796 1.00 1.04 N ATOM 745 CA VAL A 50 -15.776 11.346 -0.340 1.00 1.18 C ATOM 746 C VAL A 50 -15.583 12.330 -1.483 1.00 1.28 C ATOM 747 O VAL A 50 -15.076 11.982 -2.549 1.00 1.38 O ATOM 748 CB VAL A 50 -14.432 11.118 0.379 1.00 1.24 C ATOM 749 CG1 VAL A 50 -14.477 11.733 1.764 1.00 1.93 C ATOM 750 CG2 VAL A 50 -14.098 9.638 0.467 1.00 1.59 C ATOM 0 H VAL A 50 -15.703 9.419 -1.159 1.00 1.04 H new ATOM 0 HA VAL A 50 -16.480 11.773 0.374 1.00 1.18 H new ATOM 0 HB VAL A 50 -13.647 11.602 -0.202 1.00 1.24 H new ATOM 0 HG11 VAL A 50 -13.524 11.568 2.266 1.00 1.93 H new ATOM 0 HG12 VAL A 50 -14.663 12.804 1.681 1.00 1.93 H new ATOM 0 HG13 VAL A 50 -15.277 11.270 2.342 1.00 1.93 H new ATOM 0 HG21 VAL A 50 -13.144 9.510 0.979 1.00 1.59 H new ATOM 0 HG22 VAL A 50 -14.880 9.121 1.022 1.00 1.59 H new ATOM 0 HG23 VAL A 50 -14.029 9.220 -0.537 1.00 1.59 H new ATOM 860 N ILE A 57 -15.550 8.668 -6.061 1.00 1.14 N ATOM 861 CA ILE A 57 -15.041 7.467 -5.416 1.00 0.88 C ATOM 862 C ILE A 57 -16.004 6.931 -4.364 1.00 0.85 C ATOM 863 O ILE A 57 -16.336 7.619 -3.399 1.00 0.97 O ATOM 864 CB ILE A 57 -13.680 7.727 -4.744 1.00 0.80 C ATOM 865 CG1 ILE A 57 -12.687 8.309 -5.754 1.00 0.86 C ATOM 866 CG2 ILE A 57 -13.141 6.433 -4.150 1.00 0.87 C ATOM 867 CD1 ILE A 57 -11.368 8.725 -5.137 1.00 0.86 C ATOM 0 HA ILE A 57 -14.928 6.725 -6.206 1.00 0.88 H new ATOM 0 HB ILE A 57 -13.815 8.453 -3.942 1.00 0.80 H new ATOM 0 HG12 ILE A 57 -12.497 7.569 -6.532 1.00 0.86 H new ATOM 0 HG13 ILE A 57 -13.140 9.173 -6.240 1.00 0.86 H new ATOM 0 HG21 ILE A 57 -12.178 6.624 -3.676 1.00 0.87 H new ATOM 0 HG22 ILE A 57 -13.842 6.054 -3.407 1.00 0.87 H new ATOM 0 HG23 ILE A 57 -13.016 5.694 -4.941 1.00 0.87 H new ATOM 0 HD11 ILE A 57 -10.715 9.128 -5.911 1.00 0.86 H new ATOM 0 HD12 ILE A 57 -11.545 9.488 -4.379 1.00 0.86 H new ATOM 0 HD13 ILE A 57 -10.893 7.859 -4.676 1.00 0.86 H new ATOM 879 N THR A 58 -16.442 5.697 -4.560 1.00 0.80 N ATOM 880 CA THR A 58 -17.282 5.018 -3.591 1.00 0.80 C ATOM 881 C THR A 58 -16.443 4.041 -2.770 1.00 0.73 C ATOM 882 O THR A 58 -16.170 2.926 -3.218 1.00 0.85 O ATOM 883 CB THR A 58 -18.414 4.249 -4.296 1.00 0.88 C ATOM 884 OG1 THR A 58 -19.068 5.110 -5.236 1.00 1.11 O ATOM 885 CG2 THR A 58 -19.426 3.721 -3.289 1.00 1.28 C ATOM 0 H THR A 58 -16.226 5.143 -5.389 1.00 0.80 H new ATOM 0 HA THR A 58 -17.721 5.768 -2.934 1.00 0.80 H new ATOM 0 HB THR A 58 -17.978 3.398 -4.819 1.00 0.88 H new ATOM 0 HG1 THR A 58 -19.787 4.618 -5.685 1.00 1.11 H new ATOM 0 HG21 THR A 58 -20.215 3.182 -3.814 1.00 1.28 H new ATOM 0 HG22 THR A 58 -18.928 3.047 -2.592 1.00 1.28 H new ATOM 0 HG23 THR A 58 -19.861 4.555 -2.739 1.00 1.28 H new ATOM 893 N PHE A 59 -16.023 4.456 -1.580 1.00 0.65 N ATOM 894 CA PHE A 59 -15.198 3.604 -0.731 1.00 0.64 C ATOM 895 C PHE A 59 -16.065 2.608 0.022 1.00 0.73 C ATOM 896 O PHE A 59 -16.683 2.957 1.028 1.00 0.83 O ATOM 897 CB PHE A 59 -14.375 4.435 0.260 1.00 0.64 C ATOM 898 CG PHE A 59 -13.198 5.147 -0.349 1.00 0.60 C ATOM 899 CD1 PHE A 59 -12.138 4.430 -0.880 1.00 0.75 C ATOM 900 CD2 PHE A 59 -13.137 6.531 -0.369 1.00 0.80 C ATOM 901 CE1 PHE A 59 -11.044 5.079 -1.421 1.00 0.79 C ATOM 902 CE2 PHE A 59 -12.048 7.185 -0.911 1.00 0.84 C ATOM 903 CZ PHE A 59 -10.999 6.457 -1.437 1.00 0.70 C ATOM 0 H PHE A 59 -16.238 5.371 -1.183 1.00 0.65 H new ATOM 0 HA PHE A 59 -14.507 3.061 -1.376 1.00 0.64 H new ATOM 0 HB2 PHE A 59 -15.028 5.173 0.726 1.00 0.64 H new ATOM 0 HB3 PHE A 59 -14.016 3.780 1.054 1.00 0.64 H new ATOM 0 HD1 PHE A 59 -12.167 3.350 -0.871 1.00 0.75 H new ATOM 0 HD2 PHE A 59 -13.952 7.106 0.045 1.00 0.80 H new ATOM 0 HE1 PHE A 59 -10.225 4.507 -1.831 1.00 0.79 H new ATOM 0 HE2 PHE A 59 -12.017 8.264 -0.923 1.00 0.84 H new ATOM 0 HZ PHE A 59 -10.145 6.966 -1.860 1.00 0.70 H new ATOM 1221 N ILE A 81 -11.449 -0.167 -7.892 1.00 0.74 N ATOM 1222 CA ILE A 81 -10.132 0.435 -7.770 1.00 0.55 C ATOM 1223 C ILE A 81 -9.453 -0.064 -6.507 1.00 0.47 C ATOM 1224 O ILE A 81 -9.822 0.318 -5.396 1.00 0.63 O ATOM 1225 CB ILE A 81 -10.223 1.973 -7.759 1.00 0.63 C ATOM 1226 CG1 ILE A 81 -10.795 2.468 -9.085 1.00 0.72 C ATOM 1227 CG2 ILE A 81 -8.863 2.603 -7.502 1.00 0.67 C ATOM 1228 CD1 ILE A 81 -9.949 2.086 -10.278 1.00 0.73 C ATOM 0 HA ILE A 81 -9.538 0.142 -8.636 1.00 0.55 H new ATOM 0 HB ILE A 81 -10.887 2.271 -6.948 1.00 0.63 H new ATOM 0 HG12 ILE A 81 -11.798 2.062 -9.214 1.00 0.72 H new ATOM 0 HG13 ILE A 81 -10.892 3.553 -9.049 1.00 0.72 H new ATOM 0 HG21 ILE A 81 -8.959 3.689 -7.500 1.00 0.67 H new ATOM 0 HG22 ILE A 81 -8.485 2.271 -6.535 1.00 0.67 H new ATOM 0 HG23 ILE A 81 -8.168 2.302 -8.286 1.00 0.67 H new ATOM 0 HD11 ILE A 81 -10.411 2.468 -11.189 1.00 0.73 H new ATOM 0 HD12 ILE A 81 -8.952 2.514 -10.169 1.00 0.73 H new ATOM 0 HD13 ILE A 81 -9.873 1.000 -10.337 1.00 0.73 H new ATOM 1240 N VAL A 82 -8.454 -0.917 -6.675 1.00 0.32 N ATOM 1241 CA VAL A 82 -7.867 -1.609 -5.556 1.00 0.30 C ATOM 1242 C VAL A 82 -6.784 -0.780 -4.892 1.00 0.25 C ATOM 1243 O VAL A 82 -5.636 -0.772 -5.332 1.00 0.28 O ATOM 1244 CB VAL A 82 -7.284 -2.945 -6.011 1.00 0.39 C ATOM 1245 CG1 VAL A 82 -6.699 -3.699 -4.841 1.00 0.97 C ATOM 1246 CG2 VAL A 82 -8.354 -3.761 -6.707 1.00 1.19 C ATOM 0 H VAL A 82 -8.038 -1.141 -7.579 1.00 0.32 H new ATOM 0 HA VAL A 82 -8.657 -1.783 -4.825 1.00 0.30 H new ATOM 0 HB VAL A 82 -6.476 -2.757 -6.718 1.00 0.39 H new ATOM 0 HG11 VAL A 82 -6.289 -4.648 -5.188 1.00 0.97 H new ATOM 0 HG12 VAL A 82 -5.906 -3.106 -4.386 1.00 0.97 H new ATOM 0 HG13 VAL A 82 -7.479 -3.889 -4.104 1.00 0.97 H new ATOM 0 HG21 VAL A 82 -7.933 -4.713 -7.030 1.00 1.19 H new ATOM 0 HG22 VAL A 82 -9.178 -3.944 -6.018 1.00 1.19 H new ATOM 0 HG23 VAL A 82 -8.722 -3.214 -7.575 1.00 1.19 H new ATOM 1256 N ILE A 83 -7.153 -0.084 -3.835 1.00 0.25 N ATOM 1257 CA ILE A 83 -6.192 0.697 -3.080 1.00 0.25 C ATOM 1258 C ILE A 83 -5.497 -0.196 -2.085 1.00 0.27 C ATOM 1259 O ILE A 83 -5.976 -0.399 -0.976 1.00 0.45 O ATOM 1260 CB ILE A 83 -6.859 1.837 -2.294 1.00 0.34 C ATOM 1261 CG1 ILE A 83 -7.902 2.536 -3.152 1.00 0.48 C ATOM 1262 CG2 ILE A 83 -5.810 2.825 -1.792 1.00 0.84 C ATOM 1263 CD1 ILE A 83 -7.326 3.419 -4.236 1.00 1.32 C ATOM 0 H ILE A 83 -8.108 -0.043 -3.480 1.00 0.25 H new ATOM 0 HA ILE A 83 -5.492 1.126 -3.797 1.00 0.25 H new ATOM 0 HB ILE A 83 -7.365 1.413 -1.427 1.00 0.34 H new ATOM 0 HG12 ILE A 83 -8.540 1.782 -3.614 1.00 0.48 H new ATOM 0 HG13 ILE A 83 -8.540 3.141 -2.507 1.00 0.48 H new ATOM 0 HG21 ILE A 83 -6.300 3.626 -1.238 1.00 0.84 H new ATOM 0 HG22 ILE A 83 -5.107 2.309 -1.138 1.00 0.84 H new ATOM 0 HG23 ILE A 83 -5.273 3.248 -2.641 1.00 0.84 H new ATOM 0 HD11 ILE A 83 -8.137 3.879 -4.800 1.00 1.32 H new ATOM 0 HD12 ILE A 83 -6.712 4.198 -3.783 1.00 1.32 H new ATOM 0 HD13 ILE A 83 -6.712 2.818 -4.907 1.00 1.32 H new ATOM 1275 N LEU A 84 -4.374 -0.715 -2.481 1.00 0.22 N ATOM 1276 CA LEU A 84 -3.653 -1.673 -1.670 1.00 0.27 C ATOM 1277 C LEU A 84 -2.728 -0.934 -0.694 1.00 0.27 C ATOM 1278 O LEU A 84 -1.684 -0.411 -1.085 1.00 0.31 O ATOM 1279 CB LEU A 84 -2.883 -2.622 -2.606 1.00 0.35 C ATOM 1280 CG LEU A 84 -2.173 -3.804 -1.958 1.00 0.49 C ATOM 1281 CD1 LEU A 84 -0.790 -3.391 -1.493 1.00 1.33 C ATOM 1282 CD2 LEU A 84 -2.998 -4.353 -0.803 1.00 1.33 C ATOM 0 H LEU A 84 -3.926 -0.493 -3.370 1.00 0.22 H new ATOM 0 HA LEU A 84 -4.338 -2.270 -1.067 1.00 0.27 H new ATOM 0 HB2 LEU A 84 -3.583 -3.011 -3.345 1.00 0.35 H new ATOM 0 HB3 LEU A 84 -2.141 -2.036 -3.147 1.00 0.35 H new ATOM 0 HG LEU A 84 -2.062 -4.597 -2.697 1.00 0.49 H new ATOM 0 HD11 LEU A 84 -0.292 -4.243 -1.031 1.00 1.33 H new ATOM 0 HD12 LEU A 84 -0.206 -3.048 -2.347 1.00 1.33 H new ATOM 0 HD13 LEU A 84 -0.877 -2.584 -0.766 1.00 1.33 H new ATOM 0 HD21 LEU A 84 -2.476 -5.197 -0.352 1.00 1.33 H new ATOM 0 HD22 LEU A 84 -3.141 -3.573 -0.055 1.00 1.33 H new ATOM 0 HD23 LEU A 84 -3.968 -4.683 -1.174 1.00 1.33 H new ATOM 1294 N VAL A 85 -3.130 -0.861 0.571 1.00 0.28 N ATOM 1295 CA VAL A 85 -2.336 -0.156 1.567 1.00 0.28 C ATOM 1296 C VAL A 85 -1.144 -1.002 2.005 1.00 0.27 C ATOM 1297 O VAL A 85 -1.217 -2.233 2.083 1.00 0.34 O ATOM 1298 CB VAL A 85 -3.172 0.274 2.803 1.00 0.32 C ATOM 1299 CG1 VAL A 85 -3.378 -0.874 3.775 1.00 1.17 C ATOM 1300 CG2 VAL A 85 -2.527 1.456 3.511 1.00 1.20 C ATOM 0 H VAL A 85 -3.991 -1.277 0.926 1.00 0.28 H new ATOM 0 HA VAL A 85 -1.974 0.755 1.090 1.00 0.28 H new ATOM 0 HB VAL A 85 -4.152 0.578 2.436 1.00 0.32 H new ATOM 0 HG11 VAL A 85 -3.967 -0.530 4.625 1.00 1.17 H new ATOM 0 HG12 VAL A 85 -3.905 -1.686 3.273 1.00 1.17 H new ATOM 0 HG13 VAL A 85 -2.410 -1.232 4.126 1.00 1.17 H new ATOM 0 HG21 VAL A 85 -3.132 1.738 4.373 1.00 1.20 H new ATOM 0 HG22 VAL A 85 -1.527 1.179 3.844 1.00 1.20 H new ATOM 0 HG23 VAL A 85 -2.460 2.299 2.824 1.00 1.20 H new ATOM 1310 N VAL A 86 -0.047 -0.321 2.261 1.00 0.25 N ATOM 1311 CA VAL A 86 1.199 -0.921 2.648 1.00 0.27 C ATOM 1312 C VAL A 86 1.778 -0.087 3.787 1.00 0.24 C ATOM 1313 O VAL A 86 1.207 0.933 4.155 1.00 0.26 O ATOM 1314 CB VAL A 86 2.139 -0.956 1.410 1.00 0.36 C ATOM 1315 CG1 VAL A 86 3.596 -1.102 1.764 1.00 1.12 C ATOM 1316 CG2 VAL A 86 1.731 -2.070 0.468 1.00 0.95 C ATOM 0 H VAL A 86 -0.003 0.696 2.202 1.00 0.25 H new ATOM 0 HA VAL A 86 1.072 -1.946 2.996 1.00 0.27 H new ATOM 0 HB VAL A 86 2.028 0.012 0.921 1.00 0.36 H new ATOM 0 HG11 VAL A 86 4.192 -1.119 0.852 1.00 1.12 H new ATOM 0 HG12 VAL A 86 3.906 -0.261 2.384 1.00 1.12 H new ATOM 0 HG13 VAL A 86 3.746 -2.032 2.313 1.00 1.12 H new ATOM 0 HG21 VAL A 86 2.399 -2.081 -0.393 1.00 0.95 H new ATOM 0 HG22 VAL A 86 1.793 -3.026 0.987 1.00 0.95 H new ATOM 0 HG23 VAL A 86 0.707 -1.905 0.131 1.00 0.95 H new ATOM 1326 N ALA A 87 2.873 -0.516 4.360 1.00 0.28 N ATOM 1327 CA ALA A 87 3.543 0.256 5.381 1.00 0.32 C ATOM 1328 C ALA A 87 5.044 0.216 5.169 1.00 0.46 C ATOM 1329 O ALA A 87 5.627 -0.856 4.978 1.00 0.75 O ATOM 1330 CB ALA A 87 3.166 -0.237 6.760 1.00 0.42 C ATOM 0 H ALA A 87 3.325 -1.403 4.136 1.00 0.28 H new ATOM 0 HA ALA A 87 3.219 1.294 5.304 1.00 0.32 H new ATOM 0 HB1 ALA A 87 3.682 0.359 7.513 1.00 0.42 H new ATOM 0 HB2 ALA A 87 2.089 -0.143 6.898 1.00 0.42 H new ATOM 0 HB3 ALA A 87 3.455 -1.283 6.864 1.00 0.42 H new ATOM 1336 N ALA A 88 5.665 1.388 5.202 1.00 0.37 N ATOM 1337 CA ALA A 88 7.089 1.524 4.906 1.00 0.59 C ATOM 1338 C ALA A 88 7.963 1.084 6.065 1.00 0.53 C ATOM 1339 O ALA A 88 9.070 1.585 6.235 1.00 1.14 O ATOM 1340 CB ALA A 88 7.418 2.956 4.544 1.00 1.18 C ATOM 0 H ALA A 88 5.201 2.267 5.433 1.00 0.37 H new ATOM 0 HA ALA A 88 7.300 0.869 4.060 1.00 0.59 H new ATOM 0 HB1 ALA A 88 8.483 3.041 4.326 1.00 1.18 H new ATOM 0 HB2 ALA A 88 6.843 3.250 3.666 1.00 1.18 H new ATOM 0 HB3 ALA A 88 7.165 3.610 5.379 1.00 1.18 H new ATOM 1346 N ASP A 89 7.458 0.179 6.871 1.00 0.56 N ATOM 1347 CA ASP A 89 8.253 -0.423 7.925 1.00 0.93 C ATOM 1348 C ASP A 89 8.030 -1.928 7.952 1.00 0.85 C ATOM 1349 O ASP A 89 8.467 -2.618 8.876 1.00 1.24 O ATOM 1350 CB ASP A 89 7.932 0.202 9.287 1.00 1.44 C ATOM 1351 CG ASP A 89 6.536 -0.118 9.792 1.00 1.68 C ATOM 1352 OD1 ASP A 89 5.610 -0.167 8.959 1.00 1.90 O ATOM 1353 OD2 ASP A 89 6.364 -0.330 11.012 1.00 2.01 O ATOM 0 H ASP A 89 6.497 -0.160 6.819 1.00 0.56 H new ATOM 0 HA ASP A 89 9.305 -0.229 7.715 1.00 0.93 H new ATOM 0 HB2 ASP A 89 8.662 -0.146 10.018 1.00 1.44 H new ATOM 0 HB3 ASP A 89 8.044 1.284 9.216 1.00 1.44 H new ATOM 1358 N ASP A 90 7.352 -2.436 6.924 1.00 0.48 N ATOM 1359 CA ASP A 90 7.163 -3.875 6.772 1.00 0.46 C ATOM 1360 C ASP A 90 7.210 -4.268 5.307 1.00 0.45 C ATOM 1361 O ASP A 90 8.048 -5.066 4.884 1.00 0.69 O ATOM 1362 CB ASP A 90 5.825 -4.338 7.355 1.00 0.52 C ATOM 1363 CG ASP A 90 5.806 -5.834 7.571 1.00 0.74 C ATOM 1364 OD1 ASP A 90 6.284 -6.287 8.635 1.00 0.93 O ATOM 1365 OD2 ASP A 90 5.335 -6.564 6.678 1.00 1.09 O ATOM 0 H ASP A 90 6.926 -1.874 6.187 1.00 0.48 H new ATOM 0 HA ASP A 90 7.974 -4.358 7.318 1.00 0.46 H new ATOM 0 HB2 ASP A 90 5.644 -3.830 8.302 1.00 0.52 H new ATOM 0 HB3 ASP A 90 5.016 -4.056 6.682 1.00 0.52 H new ATOM 1370 N GLY A 91 6.311 -3.682 4.538 1.00 0.36 N ATOM 1371 CA GLY A 91 6.176 -4.029 3.143 1.00 0.36 C ATOM 1372 C GLY A 91 4.807 -4.594 2.844 1.00 0.35 C ATOM 1373 O GLY A 91 3.801 -3.903 2.986 1.00 0.52 O ATOM 0 H GLY A 91 5.664 -2.962 4.861 1.00 0.36 H new ATOM 0 HA2 GLY A 91 6.348 -3.145 2.529 1.00 0.36 H new ATOM 0 HA3 GLY A 91 6.939 -4.759 2.873 1.00 0.36 H new ATOM 1377 N VAL A 92 4.766 -5.851 2.458 1.00 0.38 N ATOM 1378 CA VAL A 92 3.545 -6.492 2.045 1.00 0.37 C ATOM 1379 C VAL A 92 3.282 -7.728 2.901 1.00 0.36 C ATOM 1380 O VAL A 92 3.998 -8.725 2.814 1.00 0.47 O ATOM 1381 CB VAL A 92 3.663 -6.873 0.562 1.00 0.47 C ATOM 1382 CG1 VAL A 92 2.549 -7.794 0.153 1.00 1.08 C ATOM 1383 CG2 VAL A 92 3.671 -5.628 -0.307 1.00 1.06 C ATOM 0 H VAL A 92 5.586 -6.457 2.423 1.00 0.38 H new ATOM 0 HA VAL A 92 2.706 -5.809 2.177 1.00 0.37 H new ATOM 0 HB VAL A 92 4.606 -7.401 0.422 1.00 0.47 H new ATOM 0 HG11 VAL A 92 2.656 -8.048 -0.901 1.00 1.08 H new ATOM 0 HG12 VAL A 92 2.591 -8.704 0.752 1.00 1.08 H new ATOM 0 HG13 VAL A 92 1.591 -7.299 0.311 1.00 1.08 H new ATOM 0 HG21 VAL A 92 3.755 -5.916 -1.355 1.00 1.06 H new ATOM 0 HG22 VAL A 92 2.745 -5.073 -0.157 1.00 1.06 H new ATOM 0 HG23 VAL A 92 4.519 -4.999 -0.034 1.00 1.06 H new ATOM 1393 N MET A 93 2.275 -7.642 3.754 1.00 0.29 N ATOM 1394 CA MET A 93 1.897 -8.759 4.606 1.00 0.31 C ATOM 1395 C MET A 93 0.886 -9.650 3.875 1.00 0.31 C ATOM 1396 O MET A 93 0.462 -9.304 2.775 1.00 0.31 O ATOM 1397 CB MET A 93 1.338 -8.224 5.922 1.00 0.36 C ATOM 1398 CG MET A 93 2.341 -7.380 6.687 1.00 0.67 C ATOM 1399 SD MET A 93 1.827 -7.043 8.375 1.00 1.32 S ATOM 1400 CE MET A 93 1.738 -8.714 9.006 1.00 0.65 C ATOM 0 H MET A 93 1.702 -6.807 3.876 1.00 0.29 H new ATOM 0 HA MET A 93 2.770 -9.371 4.834 1.00 0.31 H new ATOM 0 HB2 MET A 93 0.449 -7.628 5.718 1.00 0.36 H new ATOM 0 HB3 MET A 93 1.024 -9.061 6.545 1.00 0.36 H new ATOM 0 HG2 MET A 93 3.303 -7.892 6.701 1.00 0.67 H new ATOM 0 HG3 MET A 93 2.489 -6.436 6.162 1.00 0.67 H new ATOM 0 HE1 MET A 93 1.731 -8.692 10.096 1.00 0.65 H new ATOM 0 HE2 MET A 93 0.826 -9.190 8.647 1.00 0.65 H new ATOM 0 HE3 MET A 93 2.603 -9.280 8.660 1.00 0.65 H new ATOM 1410 N PRO A 94 0.493 -10.807 4.452 1.00 0.38 N ATOM 1411 CA PRO A 94 -0.423 -11.753 3.796 1.00 0.42 C ATOM 1412 C PRO A 94 -1.677 -11.084 3.244 1.00 0.39 C ATOM 1413 O PRO A 94 -1.992 -11.239 2.073 1.00 0.42 O ATOM 1414 CB PRO A 94 -0.786 -12.760 4.903 1.00 0.52 C ATOM 1415 CG PRO A 94 -0.241 -12.186 6.169 1.00 0.61 C ATOM 1416 CD PRO A 94 0.908 -11.309 5.771 1.00 0.46 C ATOM 0 HA PRO A 94 0.048 -12.215 2.928 1.00 0.42 H new ATOM 0 HB2 PRO A 94 -1.865 -12.897 4.969 1.00 0.52 H new ATOM 0 HB3 PRO A 94 -0.352 -13.739 4.699 1.00 0.52 H new ATOM 0 HG2 PRO A 94 -1.004 -11.613 6.696 1.00 0.61 H new ATOM 0 HG3 PRO A 94 0.088 -12.976 6.844 1.00 0.61 H new ATOM 0 HD2 PRO A 94 1.063 -10.498 6.482 1.00 0.46 H new ATOM 0 HD3 PRO A 94 1.843 -11.867 5.716 1.00 0.46 H new ATOM 1424 N GLN A 95 -2.383 -10.337 4.080 1.00 0.40 N ATOM 1425 CA GLN A 95 -3.583 -9.637 3.643 1.00 0.43 C ATOM 1426 C GLN A 95 -3.275 -8.627 2.538 1.00 0.36 C ATOM 1427 O GLN A 95 -4.101 -8.396 1.655 1.00 0.39 O ATOM 1428 CB GLN A 95 -4.255 -8.944 4.821 1.00 0.53 C ATOM 1429 CG GLN A 95 -4.471 -9.871 5.998 1.00 0.64 C ATOM 1430 CD GLN A 95 -5.512 -9.352 6.967 1.00 0.88 C ATOM 1431 OE1 GLN A 95 -5.688 -8.142 7.131 1.00 1.41 O ATOM 1432 NE2 GLN A 95 -6.223 -10.267 7.604 1.00 1.47 N ATOM 0 H GLN A 95 -2.147 -10.200 5.063 1.00 0.40 H new ATOM 0 HA GLN A 95 -4.267 -10.380 3.233 1.00 0.43 H new ATOM 0 HB2 GLN A 95 -3.644 -8.099 5.137 1.00 0.53 H new ATOM 0 HB3 GLN A 95 -5.215 -8.541 4.500 1.00 0.53 H new ATOM 0 HG2 GLN A 95 -4.778 -10.851 5.632 1.00 0.64 H new ATOM 0 HG3 GLN A 95 -3.527 -10.009 6.525 1.00 0.64 H new ATOM 0 HE21 GLN A 95 -6.045 -11.258 7.439 1.00 1.47 H new ATOM 0 HE22 GLN A 95 -6.950 -9.982 8.261 1.00 1.47 H new ATOM 1441 N THR A 96 -2.081 -8.036 2.579 1.00 0.33 N ATOM 1442 CA THR A 96 -1.634 -7.140 1.523 1.00 0.31 C ATOM 1443 C THR A 96 -1.512 -7.909 0.202 1.00 0.29 C ATOM 1444 O THR A 96 -1.743 -7.376 -0.882 1.00 0.34 O ATOM 1445 CB THR A 96 -0.282 -6.516 1.900 1.00 0.34 C ATOM 1446 OG1 THR A 96 -0.352 -5.976 3.227 1.00 0.37 O ATOM 1447 CG2 THR A 96 0.090 -5.417 0.928 1.00 0.46 C ATOM 0 H THR A 96 -1.408 -8.164 3.335 1.00 0.33 H new ATOM 0 HA THR A 96 -2.366 -6.342 1.400 1.00 0.31 H new ATOM 0 HB THR A 96 0.481 -7.293 1.858 1.00 0.34 H new ATOM 0 HG1 THR A 96 -0.488 -5.007 3.179 1.00 0.37 H new ATOM 0 HG21 THR A 96 1.051 -4.989 1.213 1.00 0.46 H new ATOM 0 HG22 THR A 96 0.161 -5.830 -0.078 1.00 0.46 H new ATOM 0 HG23 THR A 96 -0.674 -4.640 0.948 1.00 0.46 H new ATOM 1455 N VAL A 97 -1.182 -9.180 0.332 1.00 0.33 N ATOM 1456 CA VAL A 97 -1.002 -10.079 -0.784 1.00 0.39 C ATOM 1457 C VAL A 97 -2.345 -10.631 -1.277 1.00 0.34 C ATOM 1458 O VAL A 97 -2.669 -10.536 -2.461 1.00 0.37 O ATOM 1459 CB VAL A 97 -0.099 -11.240 -0.317 1.00 0.60 C ATOM 1460 CG1 VAL A 97 -0.095 -12.394 -1.282 1.00 1.00 C ATOM 1461 CG2 VAL A 97 1.312 -10.752 -0.087 1.00 1.05 C ATOM 0 H VAL A 97 -1.029 -9.623 1.238 1.00 0.33 H new ATOM 0 HA VAL A 97 -0.545 -9.540 -1.614 1.00 0.39 H new ATOM 0 HB VAL A 97 -0.516 -11.605 0.622 1.00 0.60 H new ATOM 0 HG11 VAL A 97 0.556 -13.182 -0.904 1.00 1.00 H new ATOM 0 HG12 VAL A 97 -1.108 -12.781 -1.390 1.00 1.00 H new ATOM 0 HG13 VAL A 97 0.270 -12.056 -2.252 1.00 1.00 H new ATOM 0 HG21 VAL A 97 1.935 -11.583 0.242 1.00 1.05 H new ATOM 0 HG22 VAL A 97 1.712 -10.344 -1.015 1.00 1.05 H new ATOM 0 HG23 VAL A 97 1.308 -9.976 0.679 1.00 1.05 H new ATOM 1471 N GLU A 98 -3.119 -11.187 -0.346 1.00 0.35 N ATOM 1472 CA GLU A 98 -4.403 -11.825 -0.651 1.00 0.40 C ATOM 1473 C GLU A 98 -5.346 -10.884 -1.382 1.00 0.34 C ATOM 1474 O GLU A 98 -6.121 -11.306 -2.236 1.00 0.45 O ATOM 1475 CB GLU A 98 -5.083 -12.259 0.642 1.00 0.54 C ATOM 1476 CG GLU A 98 -4.258 -13.187 1.502 1.00 0.72 C ATOM 1477 CD GLU A 98 -4.847 -13.345 2.890 1.00 1.14 C ATOM 1478 OE1 GLU A 98 -6.079 -13.229 3.036 1.00 1.55 O ATOM 1479 OE2 GLU A 98 -4.079 -13.613 3.838 1.00 1.62 O ATOM 0 H GLU A 98 -2.874 -11.209 0.644 1.00 0.35 H new ATOM 0 HA GLU A 98 -4.191 -12.681 -1.291 1.00 0.40 H new ATOM 0 HB2 GLU A 98 -5.332 -11.371 1.223 1.00 0.54 H new ATOM 0 HB3 GLU A 98 -6.023 -12.752 0.395 1.00 0.54 H new ATOM 0 HG2 GLU A 98 -4.192 -14.164 1.022 1.00 0.72 H new ATOM 0 HG3 GLU A 98 -3.242 -12.801 1.581 1.00 0.72 H new ATOM 1486 N ALA A 99 -5.265 -9.609 -1.047 1.00 0.28 N ATOM 1487 CA ALA A 99 -6.195 -8.629 -1.583 1.00 0.27 C ATOM 1488 C ALA A 99 -5.907 -8.410 -3.052 1.00 0.25 C ATOM 1489 O ALA A 99 -6.811 -8.296 -3.873 1.00 0.34 O ATOM 1490 CB ALA A 99 -6.081 -7.329 -0.810 1.00 0.31 C ATOM 0 H ALA A 99 -4.567 -9.228 -0.408 1.00 0.28 H new ATOM 0 HA ALA A 99 -7.215 -8.998 -1.479 1.00 0.27 H new ATOM 0 HB1 ALA A 99 -6.781 -6.600 -1.218 1.00 0.31 H new ATOM 0 HB2 ALA A 99 -6.314 -7.508 0.240 1.00 0.31 H new ATOM 0 HB3 ALA A 99 -5.065 -6.943 -0.895 1.00 0.31 H new ATOM 1496 N ILE A 100 -4.629 -8.387 -3.357 1.00 0.25 N ATOM 1497 CA ILE A 100 -4.142 -8.297 -4.714 1.00 0.24 C ATOM 1498 C ILE A 100 -4.406 -9.604 -5.456 1.00 0.28 C ATOM 1499 O ILE A 100 -4.831 -9.599 -6.606 1.00 0.34 O ATOM 1500 CB ILE A 100 -2.642 -7.974 -4.668 1.00 0.25 C ATOM 1501 CG1 ILE A 100 -2.431 -6.462 -4.783 1.00 0.36 C ATOM 1502 CG2 ILE A 100 -1.859 -8.739 -5.717 1.00 0.37 C ATOM 1503 CD1 ILE A 100 -0.995 -6.024 -4.609 1.00 0.38 C ATOM 0 H ILE A 100 -3.888 -8.431 -2.658 1.00 0.25 H new ATOM 0 HA ILE A 100 -4.663 -7.506 -5.253 1.00 0.24 H new ATOM 0 HB ILE A 100 -2.252 -8.303 -3.705 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -2.785 -6.130 -5.759 1.00 0.36 H new ATOM 0 HG13 ILE A 100 -3.045 -5.962 -4.034 1.00 0.36 H new ATOM 0 HG21 ILE A 100 -0.803 -8.478 -5.645 1.00 0.37 H new ATOM 0 HG22 ILE A 100 -1.980 -9.810 -5.552 1.00 0.37 H new ATOM 0 HG23 ILE A 100 -2.230 -8.480 -6.709 1.00 0.37 H new ATOM 0 HD11 ILE A 100 -0.931 -4.940 -4.705 1.00 0.38 H new ATOM 0 HD12 ILE A 100 -0.640 -6.323 -3.623 1.00 0.38 H new ATOM 0 HD13 ILE A 100 -0.376 -6.493 -5.374 1.00 0.38 H new ATOM 1515 N ASN A 101 -4.169 -10.718 -4.778 1.00 0.31 N ATOM 1516 CA ASN A 101 -4.482 -12.038 -5.311 1.00 0.38 C ATOM 1517 C ASN A 101 -5.943 -12.107 -5.734 1.00 0.37 C ATOM 1518 O ASN A 101 -6.285 -12.716 -6.746 1.00 0.46 O ATOM 1519 CB ASN A 101 -4.203 -13.114 -4.258 1.00 0.46 C ATOM 1520 CG ASN A 101 -2.727 -13.366 -4.045 1.00 1.08 C ATOM 1521 OD1 ASN A 101 -1.906 -13.129 -4.927 1.00 1.85 O ATOM 1522 ND2 ASN A 101 -2.383 -13.878 -2.876 1.00 1.55 N ATOM 0 H ASN A 101 -3.756 -10.733 -3.846 1.00 0.31 H new ATOM 0 HA ASN A 101 -3.850 -12.215 -6.182 1.00 0.38 H new ATOM 0 HB2 ASN A 101 -4.655 -12.814 -3.312 1.00 0.46 H new ATOM 0 HB3 ASN A 101 -4.684 -14.044 -4.561 1.00 0.46 H new ATOM 0 HD21 ASN A 101 -1.405 -14.091 -2.680 1.00 1.55 H new ATOM 0 HD22 ASN A 101 -3.096 -14.060 -2.169 1.00 1.55 H new ATOM 1529 N HIS A 102 -6.790 -11.463 -4.948 1.00 0.33 N ATOM 1530 CA HIS A 102 -8.219 -11.413 -5.219 1.00 0.38 C ATOM 1531 C HIS A 102 -8.533 -10.375 -6.295 1.00 0.38 C ATOM 1532 O HIS A 102 -9.519 -10.502 -7.013 1.00 0.47 O ATOM 1533 CB HIS A 102 -8.968 -11.063 -3.922 1.00 0.43 C ATOM 1534 CG HIS A 102 -10.466 -11.070 -4.044 1.00 0.55 C ATOM 1535 ND1 HIS A 102 -11.238 -12.192 -3.846 1.00 0.75 N ATOM 1536 CD2 HIS A 102 -11.330 -10.068 -4.321 1.00 0.61 C ATOM 1537 CE1 HIS A 102 -12.514 -11.879 -3.995 1.00 0.85 C ATOM 1538 NE2 HIS A 102 -12.597 -10.593 -4.283 1.00 0.77 N ATOM 0 H HIS A 102 -6.508 -10.961 -4.106 1.00 0.33 H new ATOM 0 HA HIS A 102 -8.542 -12.388 -5.582 1.00 0.38 H new ATOM 0 HB2 HIS A 102 -8.676 -11.772 -3.147 1.00 0.43 H new ATOM 0 HB3 HIS A 102 -8.648 -10.076 -3.588 1.00 0.43 H new ATOM 0 HD2 HIS A 102 -11.070 -9.041 -4.533 1.00 0.61 H new ATOM 0 HE1 HIS A 102 -13.347 -12.560 -3.898 1.00 0.85 H new ATOM 0 HE2 HIS A 102 -13.460 -10.076 -4.450 1.00 0.77 H new ATOM 1547 N ALA A 103 -7.692 -9.355 -6.414 1.00 0.32 N ATOM 1548 CA ALA A 103 -8.026 -8.209 -7.249 1.00 0.38 C ATOM 1549 C ALA A 103 -7.402 -8.273 -8.642 1.00 0.40 C ATOM 1550 O ALA A 103 -8.013 -7.851 -9.624 1.00 0.48 O ATOM 1551 CB ALA A 103 -7.591 -6.938 -6.548 1.00 0.43 C ATOM 0 H ALA A 103 -6.786 -9.298 -5.950 1.00 0.32 H new ATOM 0 HA ALA A 103 -9.106 -8.221 -7.394 1.00 0.38 H new ATOM 0 HB1 ALA A 103 -7.839 -6.077 -7.169 1.00 0.43 H new ATOM 0 HB2 ALA A 103 -8.106 -6.856 -5.591 1.00 0.43 H new ATOM 0 HB3 ALA A 103 -6.515 -6.966 -6.379 1.00 0.43 H new ATOM 1557 N LYS A 104 -6.195 -8.815 -8.723 1.00 0.40 N ATOM 1558 CA LYS A 104 -5.377 -8.722 -9.923 1.00 0.51 C ATOM 1559 C LYS A 104 -6.035 -9.371 -11.143 1.00 0.50 C ATOM 1560 O LYS A 104 -5.791 -8.961 -12.276 1.00 0.60 O ATOM 1561 CB LYS A 104 -4.034 -9.394 -9.646 1.00 0.64 C ATOM 1562 CG LYS A 104 -4.141 -10.906 -9.536 1.00 1.11 C ATOM 1563 CD LYS A 104 -2.855 -11.517 -9.032 1.00 1.57 C ATOM 1564 CE LYS A 104 -1.688 -11.204 -9.959 1.00 1.92 C ATOM 1565 NZ LYS A 104 -0.522 -12.089 -9.714 1.00 2.56 N ATOM 0 H LYS A 104 -5.756 -9.331 -7.960 1.00 0.40 H new ATOM 0 HA LYS A 104 -5.249 -7.666 -10.161 1.00 0.51 H new ATOM 0 HB2 LYS A 104 -3.336 -9.141 -10.444 1.00 0.64 H new ATOM 0 HB3 LYS A 104 -3.618 -8.996 -8.720 1.00 0.64 H new ATOM 0 HG2 LYS A 104 -4.957 -11.166 -8.862 1.00 1.11 H new ATOM 0 HG3 LYS A 104 -4.387 -11.326 -10.511 1.00 1.11 H new ATOM 0 HD2 LYS A 104 -2.639 -11.139 -8.033 1.00 1.57 H new ATOM 0 HD3 LYS A 104 -2.973 -12.597 -8.946 1.00 1.57 H new ATOM 0 HE2 LYS A 104 -2.011 -11.310 -10.995 1.00 1.92 H new ATOM 0 HE3 LYS A 104 -1.388 -10.165 -9.824 1.00 1.92 H new ATOM 0 HZ1 LYS A 104 0.334 -11.510 -9.595 1.00 2.56 H new ATOM 0 HZ2 LYS A 104 -0.685 -12.647 -8.852 1.00 2.56 H new ATOM 0 HZ3 LYS A 104 -0.397 -12.730 -10.523 1.00 2.56 H new ATOM 1579 N ALA A 105 -6.891 -10.355 -10.914 1.00 0.51 N ATOM 1580 CA ALA A 105 -7.345 -11.212 -12.000 1.00 0.61 C ATOM 1581 C ALA A 105 -8.600 -10.696 -12.681 1.00 0.66 C ATOM 1582 O ALA A 105 -9.218 -11.399 -13.478 1.00 0.76 O ATOM 1583 CB ALA A 105 -7.533 -12.641 -11.511 1.00 0.72 C ATOM 0 H ALA A 105 -7.282 -10.579 -9.999 1.00 0.51 H new ATOM 0 HA ALA A 105 -6.562 -11.199 -12.759 1.00 0.61 H new ATOM 0 HB1 ALA A 105 -7.873 -13.266 -12.337 1.00 0.72 H new ATOM 0 HB2 ALA A 105 -6.585 -13.023 -11.132 1.00 0.72 H new ATOM 0 HB3 ALA A 105 -8.276 -12.658 -10.714 1.00 0.72 H new ATOM 1589 N ALA A 106 -8.962 -9.469 -12.386 1.00 0.62 N ATOM 1590 CA ALA A 106 -10.044 -8.814 -13.088 1.00 0.70 C ATOM 1591 C ALA A 106 -9.444 -7.702 -13.921 1.00 0.72 C ATOM 1592 O ALA A 106 -10.123 -6.759 -14.321 1.00 0.90 O ATOM 1593 CB ALA A 106 -11.095 -8.288 -12.120 1.00 0.75 C ATOM 0 H ALA A 106 -8.522 -8.901 -11.662 1.00 0.62 H new ATOM 0 HA ALA A 106 -10.559 -9.525 -13.735 1.00 0.70 H new ATOM 0 HB1 ALA A 106 -11.894 -7.802 -12.680 1.00 0.75 H new ATOM 0 HB2 ALA A 106 -11.507 -9.117 -11.545 1.00 0.75 H new ATOM 0 HB3 ALA A 106 -10.637 -7.568 -11.442 1.00 0.75 H new ATOM 1599 N ASN A 107 -8.131 -7.844 -14.136 1.00 0.67 N ATOM 1600 CA ASN A 107 -7.313 -6.921 -14.925 1.00 0.73 C ATOM 1601 C ASN A 107 -7.512 -5.481 -14.489 1.00 0.67 C ATOM 1602 O ASN A 107 -7.504 -4.551 -15.299 1.00 0.80 O ATOM 1603 CB ASN A 107 -7.528 -7.112 -16.439 1.00 0.92 C ATOM 1604 CG ASN A 107 -8.923 -6.775 -16.955 1.00 1.44 C ATOM 1605 OD1 ASN A 107 -9.772 -7.658 -17.099 1.00 1.99 O ATOM 1606 ND2 ASN A 107 -9.169 -5.508 -17.252 1.00 2.06 N ATOM 0 H ASN A 107 -7.596 -8.625 -13.755 1.00 0.67 H new ATOM 0 HA ASN A 107 -6.269 -7.166 -14.728 1.00 0.73 H new ATOM 0 HB2 ASN A 107 -6.804 -6.494 -16.971 1.00 0.92 H new ATOM 0 HB3 ASN A 107 -7.308 -8.149 -16.691 1.00 0.92 H new ATOM 0 HD21 ASN A 107 -10.084 -5.237 -17.612 1.00 2.06 H new ATOM 0 HD22 ASN A 107 -8.443 -4.803 -17.121 1.00 2.06 H new ATOM 1613 N VAL A 108 -7.656 -5.306 -13.187 1.00 0.55 N ATOM 1614 CA VAL A 108 -7.822 -3.982 -12.618 1.00 0.49 C ATOM 1615 C VAL A 108 -6.475 -3.433 -12.176 1.00 0.40 C ATOM 1616 O VAL A 108 -5.531 -4.190 -11.938 1.00 0.42 O ATOM 1617 CB VAL A 108 -8.782 -3.988 -11.408 1.00 0.54 C ATOM 1618 CG1 VAL A 108 -9.671 -5.216 -11.415 1.00 1.00 C ATOM 1619 CG2 VAL A 108 -8.018 -3.863 -10.094 1.00 1.08 C ATOM 0 H VAL A 108 -7.661 -6.064 -12.505 1.00 0.55 H new ATOM 0 HA VAL A 108 -8.253 -3.350 -13.394 1.00 0.49 H new ATOM 0 HB VAL A 108 -9.428 -3.115 -11.497 1.00 0.54 H new ATOM 0 HG11 VAL A 108 -10.335 -5.190 -10.551 1.00 1.00 H new ATOM 0 HG12 VAL A 108 -10.265 -5.230 -12.329 1.00 1.00 H new ATOM 0 HG13 VAL A 108 -9.053 -6.113 -11.371 1.00 1.00 H new ATOM 0 HG21 VAL A 108 -8.722 -3.870 -9.262 1.00 1.08 H new ATOM 0 HG22 VAL A 108 -7.328 -4.701 -9.993 1.00 1.08 H new ATOM 0 HG23 VAL A 108 -7.457 -2.928 -10.087 1.00 1.08 H new ATOM 1629 N PRO A 109 -6.360 -2.108 -12.110 1.00 0.39 N ATOM 1630 CA PRO A 109 -5.209 -1.448 -11.513 1.00 0.35 C ATOM 1631 C PRO A 109 -5.189 -1.523 -9.994 1.00 0.30 C ATOM 1632 O PRO A 109 -6.233 -1.504 -9.317 1.00 0.34 O ATOM 1633 CB PRO A 109 -5.351 0.009 -11.907 1.00 0.43 C ATOM 1634 CG PRO A 109 -6.468 0.074 -12.881 1.00 0.51 C ATOM 1635 CD PRO A 109 -7.312 -1.150 -12.667 1.00 0.48 C ATOM 0 HA PRO A 109 -4.294 -1.929 -11.858 1.00 0.35 H new ATOM 0 HB2 PRO A 109 -5.560 0.628 -11.035 1.00 0.43 H new ATOM 0 HB3 PRO A 109 -4.428 0.383 -12.350 1.00 0.43 H new ATOM 0 HG2 PRO A 109 -7.057 0.979 -12.732 1.00 0.51 H new ATOM 0 HG3 PRO A 109 -6.088 0.106 -13.902 1.00 0.51 H new ATOM 0 HD2 PRO A 109 -8.138 -0.957 -11.983 1.00 0.48 H new ATOM 0 HD3 PRO A 109 -7.748 -1.509 -13.600 1.00 0.48 H new ATOM 1643 N ILE A 110 -3.984 -1.524 -9.474 1.00 0.27 N ATOM 1644 CA ILE A 110 -3.759 -1.612 -8.038 1.00 0.25 C ATOM 1645 C ILE A 110 -2.988 -0.384 -7.558 1.00 0.23 C ATOM 1646 O ILE A 110 -2.109 0.126 -8.258 1.00 0.26 O ATOM 1647 CB ILE A 110 -3.007 -2.918 -7.643 1.00 0.30 C ATOM 1648 CG1 ILE A 110 -3.999 -4.053 -7.343 1.00 0.46 C ATOM 1649 CG2 ILE A 110 -2.089 -2.708 -6.441 1.00 0.45 C ATOM 1650 CD1 ILE A 110 -4.691 -4.625 -8.558 1.00 0.96 C ATOM 0 H ILE A 110 -3.129 -1.464 -10.027 1.00 0.27 H new ATOM 0 HA ILE A 110 -4.733 -1.643 -7.549 1.00 0.25 H new ATOM 0 HB ILE A 110 -2.390 -3.196 -8.497 1.00 0.30 H new ATOM 0 HG12 ILE A 110 -3.467 -4.856 -6.833 1.00 0.46 H new ATOM 0 HG13 ILE A 110 -4.756 -3.682 -6.652 1.00 0.46 H new ATOM 0 HG21 ILE A 110 -1.585 -3.644 -6.200 1.00 0.45 H new ATOM 0 HG22 ILE A 110 -1.346 -1.947 -6.679 1.00 0.45 H new ATOM 0 HG23 ILE A 110 -2.680 -2.383 -5.584 1.00 0.45 H new ATOM 0 HD11 ILE A 110 -5.371 -5.419 -8.249 1.00 0.96 H new ATOM 0 HD12 ILE A 110 -5.255 -3.839 -9.059 1.00 0.96 H new ATOM 0 HD13 ILE A 110 -3.947 -5.031 -9.243 1.00 0.96 H new ATOM 1662 N ILE A 111 -3.333 0.096 -6.374 1.00 0.23 N ATOM 1663 CA ILE A 111 -2.682 1.257 -5.804 1.00 0.25 C ATOM 1664 C ILE A 111 -1.937 0.818 -4.588 1.00 0.32 C ATOM 1665 O ILE A 111 -2.350 -0.104 -3.923 1.00 0.71 O ATOM 1666 CB ILE A 111 -3.684 2.368 -5.398 1.00 0.29 C ATOM 1667 CG1 ILE A 111 -4.408 2.927 -6.611 1.00 0.35 C ATOM 1668 CG2 ILE A 111 -2.992 3.487 -4.636 1.00 0.34 C ATOM 1669 CD1 ILE A 111 -5.570 2.078 -7.040 1.00 0.53 C ATOM 0 H ILE A 111 -4.065 -0.306 -5.789 1.00 0.23 H new ATOM 0 HA ILE A 111 -2.021 1.678 -6.561 1.00 0.25 H new ATOM 0 HB ILE A 111 -4.421 1.911 -4.738 1.00 0.29 H new ATOM 0 HG12 ILE A 111 -4.763 3.932 -6.385 1.00 0.35 H new ATOM 0 HG13 ILE A 111 -3.704 3.016 -7.439 1.00 0.35 H new ATOM 0 HG21 ILE A 111 -3.723 4.250 -4.366 1.00 0.34 H new ATOM 0 HG22 ILE A 111 -2.537 3.084 -3.731 1.00 0.34 H new ATOM 0 HG23 ILE A 111 -2.219 3.931 -5.264 1.00 0.34 H new ATOM 0 HD11 ILE A 111 -6.047 2.528 -7.910 1.00 0.53 H new ATOM 0 HD12 ILE A 111 -5.216 1.079 -7.296 1.00 0.53 H new ATOM 0 HD13 ILE A 111 -6.291 2.010 -6.225 1.00 0.53 H new ATOM 1681 N VAL A 112 -0.826 1.433 -4.325 1.00 0.21 N ATOM 1682 CA VAL A 112 -0.114 1.173 -3.126 1.00 0.20 C ATOM 1683 C VAL A 112 -0.118 2.401 -2.260 1.00 0.20 C ATOM 1684 O VAL A 112 0.180 3.500 -2.723 1.00 0.23 O ATOM 1685 CB VAL A 112 1.329 0.809 -3.412 1.00 0.20 C ATOM 1686 CG1 VAL A 112 1.779 -0.262 -2.483 1.00 0.20 C ATOM 1687 CG2 VAL A 112 1.504 0.358 -4.845 1.00 0.22 C ATOM 0 H VAL A 112 -0.394 2.125 -4.937 1.00 0.21 H new ATOM 0 HA VAL A 112 -0.605 0.339 -2.624 1.00 0.20 H new ATOM 0 HB VAL A 112 1.940 1.699 -3.259 1.00 0.20 H new ATOM 0 HG11 VAL A 112 2.817 -0.516 -2.697 1.00 0.20 H new ATOM 0 HG12 VAL A 112 1.696 0.090 -1.455 1.00 0.20 H new ATOM 0 HG13 VAL A 112 1.154 -1.145 -2.616 1.00 0.20 H new ATOM 0 HG21 VAL A 112 2.549 0.103 -5.021 1.00 0.22 H new ATOM 0 HG22 VAL A 112 0.881 -0.517 -5.030 1.00 0.22 H new ATOM 0 HG23 VAL A 112 1.208 1.162 -5.518 1.00 0.22 H new ATOM 1697 N ALA A 113 -0.433 2.210 -1.015 1.00 0.19 N ATOM 1698 CA ALA A 113 -0.375 3.281 -0.066 1.00 0.21 C ATOM 1699 C ALA A 113 0.624 2.900 0.990 1.00 0.21 C ATOM 1700 O ALA A 113 0.281 2.321 2.011 1.00 0.23 O ATOM 1701 CB ALA A 113 -1.743 3.553 0.536 1.00 0.25 C ATOM 0 H ALA A 113 -0.735 1.315 -0.630 1.00 0.19 H new ATOM 0 HA ALA A 113 -0.065 4.204 -0.556 1.00 0.21 H new ATOM 0 HB1 ALA A 113 -1.669 4.371 1.253 1.00 0.25 H new ATOM 0 HB2 ALA A 113 -2.441 3.826 -0.255 1.00 0.25 H new ATOM 0 HB3 ALA A 113 -2.102 2.657 1.043 1.00 0.25 H new ATOM 1707 N ILE A 114 1.863 3.225 0.709 1.00 0.21 N ATOM 1708 CA ILE A 114 2.965 2.973 1.613 1.00 0.24 C ATOM 1709 C ILE A 114 2.859 3.885 2.834 1.00 0.25 C ATOM 1710 O ILE A 114 3.374 5.003 2.831 1.00 0.30 O ATOM 1711 CB ILE A 114 4.306 3.214 0.892 1.00 0.28 C ATOM 1712 CG1 ILE A 114 4.324 2.505 -0.467 1.00 0.32 C ATOM 1713 CG2 ILE A 114 5.445 2.726 1.751 1.00 0.36 C ATOM 1714 CD1 ILE A 114 5.575 2.772 -1.278 1.00 0.85 C ATOM 0 H ILE A 114 2.140 3.677 -0.163 1.00 0.21 H new ATOM 0 HA ILE A 114 2.921 1.934 1.941 1.00 0.24 H new ATOM 0 HB ILE A 114 4.423 4.284 0.721 1.00 0.28 H new ATOM 0 HG12 ILE A 114 4.228 1.431 -0.308 1.00 0.32 H new ATOM 0 HG13 ILE A 114 3.454 2.821 -1.043 1.00 0.32 H new ATOM 0 HG21 ILE A 114 6.390 2.899 1.236 1.00 0.36 H new ATOM 0 HG22 ILE A 114 5.444 3.266 2.698 1.00 0.36 H new ATOM 0 HG23 ILE A 114 5.326 1.659 1.941 1.00 0.36 H new ATOM 0 HD11 ILE A 114 5.515 2.237 -2.226 1.00 0.85 H new ATOM 0 HD12 ILE A 114 5.663 3.841 -1.470 1.00 0.85 H new ATOM 0 HD13 ILE A 114 6.448 2.430 -0.723 1.00 0.85 H new ATOM 1726 N ASN A 115 2.189 3.398 3.868 1.00 0.26 N ATOM 1727 CA ASN A 115 1.826 4.223 5.009 1.00 0.31 C ATOM 1728 C ASN A 115 2.899 4.117 6.082 1.00 0.37 C ATOM 1729 O ASN A 115 3.778 3.258 5.992 1.00 0.39 O ATOM 1730 CB ASN A 115 0.459 3.778 5.552 1.00 0.39 C ATOM 1731 CG ASN A 115 -0.097 4.689 6.634 1.00 0.47 C ATOM 1732 OD1 ASN A 115 0.168 5.895 6.658 1.00 0.60 O ATOM 1733 ND2 ASN A 115 -0.879 4.116 7.536 1.00 0.69 N ATOM 0 H ASN A 115 1.884 2.427 3.939 1.00 0.26 H new ATOM 0 HA ASN A 115 1.752 5.266 4.701 1.00 0.31 H new ATOM 0 HB2 ASN A 115 -0.252 3.733 4.727 1.00 0.39 H new ATOM 0 HB3 ASN A 115 0.548 2.768 5.951 1.00 0.39 H new ATOM 0 HD21 ASN A 115 -1.287 4.674 8.286 1.00 0.69 H new ATOM 0 HD22 ASN A 115 -1.073 3.116 7.481 1.00 0.69 H new ATOM 1740 N LYS A 116 2.838 5.005 7.072 1.00 0.49 N ATOM 1741 CA LYS A 116 3.818 5.047 8.159 1.00 0.62 C ATOM 1742 C LYS A 116 5.188 5.456 7.625 1.00 0.57 C ATOM 1743 O LYS A 116 6.176 5.426 8.344 1.00 0.67 O ATOM 1744 CB LYS A 116 3.923 3.691 8.876 1.00 0.78 C ATOM 1745 CG LYS A 116 2.596 3.150 9.388 1.00 1.15 C ATOM 1746 CD LYS A 116 2.764 1.767 10.003 1.00 1.50 C ATOM 1747 CE LYS A 116 1.423 1.147 10.367 1.00 2.05 C ATOM 1748 NZ LYS A 116 1.575 -0.235 10.901 1.00 2.61 N ATOM 0 H LYS A 116 2.110 5.715 7.145 1.00 0.49 H new ATOM 0 HA LYS A 116 3.476 5.788 8.881 1.00 0.62 H new ATOM 0 HB2 LYS A 116 4.359 2.964 8.191 1.00 0.78 H new ATOM 0 HB3 LYS A 116 4.611 3.789 9.716 1.00 0.78 H new ATOM 0 HG2 LYS A 116 2.184 3.833 10.131 1.00 1.15 H new ATOM 0 HG3 LYS A 116 1.880 3.101 8.568 1.00 1.15 H new ATOM 0 HD2 LYS A 116 3.287 1.117 9.301 1.00 1.50 H new ATOM 0 HD3 LYS A 116 3.386 1.838 10.895 1.00 1.50 H new ATOM 0 HE2 LYS A 116 0.925 1.770 11.110 1.00 2.05 H new ATOM 0 HE3 LYS A 116 0.782 1.127 9.486 1.00 2.05 H new ATOM 0 HZ1 LYS A 116 0.708 -0.777 10.712 1.00 2.61 H new ATOM 0 HZ2 LYS A 116 2.382 -0.699 10.438 1.00 2.61 H new ATOM 0 HZ3 LYS A 116 1.741 -0.194 11.927 1.00 2.61 H new ATOM 1762 N MET A 117 5.233 5.863 6.364 1.00 0.58 N ATOM 1763 CA MET A 117 6.490 6.204 5.706 1.00 0.69 C ATOM 1764 C MET A 117 6.978 7.583 6.156 1.00 0.81 C ATOM 1765 O MET A 117 8.070 8.030 5.804 1.00 1.03 O ATOM 1766 CB MET A 117 6.302 6.082 4.183 1.00 0.85 C ATOM 1767 CG MET A 117 6.686 7.301 3.350 1.00 0.81 C ATOM 1768 SD MET A 117 8.422 7.293 2.858 1.00 1.37 S ATOM 1769 CE MET A 117 8.531 5.725 1.996 1.00 0.65 C ATOM 0 H MET A 117 4.409 5.966 5.772 1.00 0.58 H new ATOM 0 HA MET A 117 7.277 5.508 5.995 1.00 0.69 H new ATOM 0 HB2 MET A 117 6.888 5.232 3.834 1.00 0.85 H new ATOM 0 HB3 MET A 117 5.255 5.850 3.986 1.00 0.85 H new ATOM 0 HG2 MET A 117 6.060 7.338 2.458 1.00 0.81 H new ATOM 0 HG3 MET A 117 6.479 8.206 3.922 1.00 0.81 H new ATOM 0 HE1 MET A 117 9.050 5.000 2.623 1.00 0.65 H new ATOM 0 HE2 MET A 117 7.528 5.361 1.775 1.00 0.65 H new ATOM 0 HE3 MET A 117 9.082 5.859 1.065 1.00 0.65 H new ATOM 1852 N ASN A 123 12.232 1.215 3.068 1.00 0.59 N ATOM 1853 CA ASN A 123 12.713 1.273 1.689 1.00 0.57 C ATOM 1854 C ASN A 123 11.561 1.015 0.722 1.00 0.46 C ATOM 1855 O ASN A 123 11.088 -0.116 0.602 1.00 0.52 O ATOM 1856 CB ASN A 123 13.814 0.222 1.471 1.00 0.85 C ATOM 1857 CG ASN A 123 14.510 0.333 0.123 1.00 1.28 C ATOM 1858 OD1 ASN A 123 13.922 0.750 -0.874 1.00 1.77 O ATOM 1859 ND2 ASN A 123 15.774 -0.055 0.085 1.00 1.84 N ATOM 0 HA ASN A 123 13.122 2.266 1.502 1.00 0.57 H new ATOM 0 HB2 ASN A 123 14.557 0.319 2.262 1.00 0.85 H new ATOM 0 HB3 ASN A 123 13.377 -0.773 1.563 1.00 0.85 H new ATOM 0 HD21 ASN A 123 16.294 -0.014 -0.792 1.00 1.84 H new ATOM 0 HD22 ASN A 123 16.229 -0.395 0.932 1.00 1.84 H new ATOM 1866 N PRO A 124 11.082 2.079 0.051 1.00 0.41 N ATOM 1867 CA PRO A 124 10.073 1.982 -1.004 1.00 0.47 C ATOM 1868 C PRO A 124 10.370 0.867 -2.009 1.00 0.42 C ATOM 1869 O PRO A 124 9.630 -0.100 -2.072 1.00 0.40 O ATOM 1870 CB PRO A 124 10.121 3.355 -1.697 1.00 0.66 C ATOM 1871 CG PRO A 124 11.230 4.116 -1.041 1.00 0.70 C ATOM 1872 CD PRO A 124 11.454 3.476 0.296 1.00 0.46 C ATOM 0 HA PRO A 124 9.095 1.736 -0.591 1.00 0.47 H new ATOM 0 HB2 PRO A 124 10.304 3.245 -2.766 1.00 0.66 H new ATOM 0 HB3 PRO A 124 9.172 3.879 -1.588 1.00 0.66 H new ATOM 0 HG2 PRO A 124 12.136 4.079 -1.645 1.00 0.70 H new ATOM 0 HG3 PRO A 124 10.965 5.167 -0.928 1.00 0.70 H new ATOM 0 HD2 PRO A 124 12.491 3.568 0.620 1.00 0.46 H new ATOM 0 HD3 PRO A 124 10.836 3.930 1.071 1.00 0.46 H new ATOM 1880 N ASP A 125 11.462 1.004 -2.767 1.00 0.45 N ATOM 1881 CA ASP A 125 11.865 0.023 -3.801 1.00 0.45 C ATOM 1882 C ASP A 125 11.747 -1.415 -3.320 1.00 0.38 C ATOM 1883 O ASP A 125 11.191 -2.258 -4.019 1.00 0.33 O ATOM 1884 CB ASP A 125 13.306 0.285 -4.215 1.00 0.56 C ATOM 1885 CG ASP A 125 13.923 -0.870 -4.987 1.00 1.16 C ATOM 1886 OD1 ASP A 125 13.573 -1.036 -6.176 1.00 1.28 O ATOM 1887 OD2 ASP A 125 14.738 -1.623 -4.415 1.00 2.00 O ATOM 0 H ASP A 125 12.098 1.797 -2.687 1.00 0.45 H new ATOM 0 HA ASP A 125 11.186 0.149 -4.645 1.00 0.45 H new ATOM 0 HB2 ASP A 125 13.344 1.186 -4.828 1.00 0.56 H new ATOM 0 HB3 ASP A 125 13.904 0.480 -3.325 1.00 0.56 H new ATOM 1892 N ARG A 126 12.281 -1.691 -2.140 1.00 0.40 N ATOM 1893 CA ARG A 126 12.195 -3.024 -1.560 1.00 0.40 C ATOM 1894 C ARG A 126 10.749 -3.479 -1.521 1.00 0.34 C ATOM 1895 O ARG A 126 10.385 -4.518 -2.069 1.00 0.32 O ATOM 1896 CB ARG A 126 12.758 -3.022 -0.145 1.00 0.47 C ATOM 1897 CG ARG A 126 12.757 -4.392 0.504 1.00 0.58 C ATOM 1898 CD ARG A 126 13.536 -5.388 -0.332 1.00 1.25 C ATOM 1899 NE ARG A 126 13.996 -6.524 0.460 1.00 1.38 N ATOM 1900 CZ ARG A 126 13.829 -7.798 0.118 1.00 2.08 C ATOM 1901 NH1 ARG A 126 13.144 -8.114 -0.976 1.00 2.99 N ATOM 1902 NH2 ARG A 126 14.323 -8.757 0.887 1.00 2.15 N ATOM 0 H ARG A 126 12.778 -1.011 -1.565 1.00 0.40 H new ATOM 0 HA ARG A 126 12.777 -3.708 -2.177 1.00 0.40 H new ATOM 0 HB2 ARG A 126 13.778 -2.640 -0.168 1.00 0.47 H new ATOM 0 HB3 ARG A 126 12.175 -2.336 0.470 1.00 0.47 H new ATOM 0 HG2 ARG A 126 13.194 -4.327 1.500 1.00 0.58 H new ATOM 0 HG3 ARG A 126 11.731 -4.739 0.628 1.00 0.58 H new ATOM 0 HD2 ARG A 126 12.908 -5.745 -1.148 1.00 1.25 H new ATOM 0 HD3 ARG A 126 14.394 -4.890 -0.784 1.00 1.25 H new ATOM 0 HE ARG A 126 14.479 -6.327 1.337 1.00 1.38 H new ATOM 0 HH11 ARG A 126 12.744 -7.378 -1.557 1.00 2.99 H new ATOM 0 HH12 ARG A 126 13.019 -9.093 -1.234 1.00 2.99 H new ATOM 0 HH21 ARG A 126 14.830 -8.517 1.739 1.00 2.15 H new ATOM 0 HH22 ARG A 126 14.196 -9.735 0.627 1.00 2.15 H new ATOM 1916 N VAL A 127 9.939 -2.660 -0.883 1.00 0.34 N ATOM 1917 CA VAL A 127 8.506 -2.904 -0.784 1.00 0.34 C ATOM 1918 C VAL A 127 7.885 -3.008 -2.178 1.00 0.31 C ATOM 1919 O VAL A 127 7.071 -3.885 -2.451 1.00 0.33 O ATOM 1920 CB VAL A 127 7.802 -1.771 -0.009 1.00 0.37 C ATOM 1921 CG1 VAL A 127 6.306 -2.016 0.073 1.00 0.39 C ATOM 1922 CG2 VAL A 127 8.397 -1.621 1.384 1.00 0.40 C ATOM 0 H VAL A 127 10.250 -1.807 -0.418 1.00 0.34 H new ATOM 0 HA VAL A 127 8.370 -3.843 -0.247 1.00 0.34 H new ATOM 0 HB VAL A 127 7.963 -0.841 -0.554 1.00 0.37 H new ATOM 0 HG11 VAL A 127 5.834 -1.203 0.624 1.00 0.39 H new ATOM 0 HG12 VAL A 127 5.889 -2.062 -0.933 1.00 0.39 H new ATOM 0 HG13 VAL A 127 6.119 -2.959 0.587 1.00 0.39 H new ATOM 0 HG21 VAL A 127 7.886 -0.817 1.913 1.00 0.40 H new ATOM 0 HG22 VAL A 127 8.274 -2.554 1.935 1.00 0.40 H new ATOM 0 HG23 VAL A 127 9.458 -1.385 1.303 1.00 0.40 H new ATOM 1932 N MET A 128 8.309 -2.118 -3.061 1.00 0.28 N ATOM 1933 CA MET A 128 7.778 -2.043 -4.414 1.00 0.26 C ATOM 1934 C MET A 128 8.078 -3.316 -5.197 1.00 0.25 C ATOM 1935 O MET A 128 7.293 -3.726 -6.058 1.00 0.25 O ATOM 1936 CB MET A 128 8.359 -0.827 -5.142 1.00 0.25 C ATOM 1937 CG MET A 128 8.080 0.492 -4.441 1.00 0.27 C ATOM 1938 SD MET A 128 8.909 1.895 -5.206 1.00 0.30 S ATOM 1939 CE MET A 128 8.051 1.985 -6.771 1.00 0.29 C ATOM 0 H MET A 128 9.031 -1.426 -2.860 1.00 0.28 H new ATOM 0 HA MET A 128 6.695 -1.936 -4.346 1.00 0.26 H new ATOM 0 HB2 MET A 128 9.437 -0.955 -5.242 1.00 0.25 H new ATOM 0 HB3 MET A 128 7.948 -0.787 -6.151 1.00 0.25 H new ATOM 0 HG2 MET A 128 7.005 0.673 -4.436 1.00 0.27 H new ATOM 0 HG3 MET A 128 8.395 0.416 -3.400 1.00 0.27 H new ATOM 0 HE1 MET A 128 8.769 1.891 -7.586 1.00 0.29 H new ATOM 0 HE2 MET A 128 7.323 1.176 -6.834 1.00 0.29 H new ATOM 0 HE3 MET A 128 7.537 2.943 -6.849 1.00 0.29 H new ATOM 1949 N GLN A 129 9.201 -3.953 -4.892 1.00 0.25 N ATOM 1950 CA GLN A 129 9.578 -5.172 -5.584 1.00 0.26 C ATOM 1951 C GLN A 129 8.787 -6.361 -5.061 1.00 0.29 C ATOM 1952 O GLN A 129 8.705 -7.390 -5.724 1.00 0.31 O ATOM 1953 CB GLN A 129 11.079 -5.428 -5.481 1.00 0.29 C ATOM 1954 CG GLN A 129 11.909 -4.513 -6.366 1.00 0.31 C ATOM 1955 CD GLN A 129 13.393 -4.804 -6.272 1.00 0.46 C ATOM 1956 OE1 GLN A 129 13.801 -5.946 -6.068 1.00 1.16 O ATOM 1957 NE2 GLN A 129 14.210 -3.776 -6.387 1.00 1.28 N ATOM 0 H GLN A 129 9.860 -3.647 -4.176 1.00 0.25 H new ATOM 0 HA GLN A 129 9.336 -5.042 -6.639 1.00 0.26 H new ATOM 0 HB2 GLN A 129 11.392 -5.300 -4.445 1.00 0.29 H new ATOM 0 HB3 GLN A 129 11.283 -6.464 -5.750 1.00 0.29 H new ATOM 0 HG2 GLN A 129 11.585 -4.623 -7.401 1.00 0.31 H new ATOM 0 HG3 GLN A 129 11.727 -3.476 -6.083 1.00 0.31 H new ATOM 0 HE21 GLN A 129 13.835 -2.843 -6.556 1.00 1.28 H new ATOM 0 HE22 GLN A 129 15.217 -3.914 -6.307 1.00 1.28 H new ATOM 1966 N GLU A 130 8.199 -6.212 -3.881 1.00 0.33 N ATOM 1967 CA GLU A 130 7.276 -7.218 -3.362 1.00 0.38 C ATOM 1968 C GLU A 130 6.000 -7.182 -4.178 1.00 0.33 C ATOM 1969 O GLU A 130 5.385 -8.210 -4.444 1.00 0.36 O ATOM 1970 CB GLU A 130 6.941 -6.955 -1.897 1.00 0.48 C ATOM 1971 CG GLU A 130 8.139 -6.516 -1.092 1.00 0.71 C ATOM 1972 CD GLU A 130 9.187 -7.607 -0.954 1.00 1.18 C ATOM 1973 OE1 GLU A 130 9.007 -8.510 -0.118 1.00 1.46 O ATOM 1974 OE2 GLU A 130 10.204 -7.559 -1.682 1.00 2.02 O ATOM 0 H GLU A 130 8.342 -5.410 -3.267 1.00 0.33 H new ATOM 0 HA GLU A 130 7.751 -8.196 -3.435 1.00 0.38 H new ATOM 0 HB2 GLU A 130 6.169 -6.188 -1.838 1.00 0.48 H new ATOM 0 HB3 GLU A 130 6.525 -7.861 -1.456 1.00 0.48 H new ATOM 0 HG2 GLU A 130 8.589 -5.644 -1.566 1.00 0.71 H new ATOM 0 HG3 GLU A 130 7.811 -6.206 -0.100 1.00 0.71 H new ATOM 1981 N LEU A 131 5.612 -5.990 -4.605 1.00 0.29 N ATOM 1982 CA LEU A 131 4.388 -5.846 -5.386 1.00 0.29 C ATOM 1983 C LEU A 131 4.591 -6.421 -6.757 1.00 0.24 C ATOM 1984 O LEU A 131 3.762 -7.177 -7.268 1.00 0.25 O ATOM 1985 CB LEU A 131 3.968 -4.389 -5.494 1.00 0.32 C ATOM 1986 CG LEU A 131 3.235 -3.849 -4.275 1.00 0.48 C ATOM 1987 CD1 LEU A 131 2.044 -4.723 -3.950 1.00 0.34 C ATOM 1988 CD2 LEU A 131 4.170 -3.797 -3.100 1.00 1.06 C ATOM 0 H LEU A 131 6.115 -5.120 -4.429 1.00 0.29 H new ATOM 0 HA LEU A 131 3.593 -6.389 -4.874 1.00 0.29 H new ATOM 0 HB2 LEU A 131 4.856 -3.781 -5.667 1.00 0.32 H new ATOM 0 HB3 LEU A 131 3.327 -4.273 -6.368 1.00 0.32 H new ATOM 0 HG LEU A 131 2.880 -2.842 -4.494 1.00 0.48 H new ATOM 0 HD11 LEU A 131 1.529 -4.325 -3.076 1.00 0.34 H new ATOM 0 HD12 LEU A 131 1.361 -4.737 -4.799 1.00 0.34 H new ATOM 0 HD13 LEU A 131 2.383 -5.737 -3.741 1.00 0.34 H new ATOM 0 HD21 LEU A 131 3.640 -3.410 -2.230 1.00 1.06 H new ATOM 0 HD22 LEU A 131 4.538 -4.800 -2.884 1.00 1.06 H new ATOM 0 HD23 LEU A 131 5.011 -3.144 -3.333 1.00 1.06 H new ATOM 2000 N MET A 132 5.725 -6.095 -7.336 1.00 0.21 N ATOM 2001 CA MET A 132 6.081 -6.631 -8.624 1.00 0.22 C ATOM 2002 C MET A 132 6.538 -8.075 -8.468 1.00 0.26 C ATOM 2003 O MET A 132 6.814 -8.761 -9.451 1.00 0.32 O ATOM 2004 CB MET A 132 7.158 -5.766 -9.272 1.00 0.23 C ATOM 2005 CG MET A 132 8.556 -5.966 -8.711 1.00 0.26 C ATOM 2006 SD MET A 132 9.505 -7.151 -9.672 1.00 0.35 S ATOM 2007 CE MET A 132 9.067 -6.582 -11.308 1.00 0.32 C ATOM 0 H MET A 132 6.415 -5.461 -6.933 1.00 0.21 H new ATOM 0 HA MET A 132 5.211 -6.620 -9.280 1.00 0.22 H new ATOM 0 HB2 MET A 132 7.177 -5.974 -10.342 1.00 0.23 H new ATOM 0 HB3 MET A 132 6.881 -4.718 -9.156 1.00 0.23 H new ATOM 0 HG2 MET A 132 9.080 -5.010 -8.695 1.00 0.26 H new ATOM 0 HG3 MET A 132 8.487 -6.309 -7.679 1.00 0.26 H new ATOM 0 HE1 MET A 132 9.858 -6.847 -12.009 1.00 0.32 H new ATOM 0 HE2 MET A 132 8.134 -7.052 -11.619 1.00 0.32 H new ATOM 0 HE3 MET A 132 8.941 -5.499 -11.295 1.00 0.32 H new ATOM 2017 N GLU A 133 6.579 -8.548 -7.219 1.00 0.27 N ATOM 2018 CA GLU A 133 6.864 -9.943 -6.952 1.00 0.35 C ATOM 2019 C GLU A 133 5.600 -10.723 -7.226 1.00 0.34 C ATOM 2020 O GLU A 133 5.641 -11.889 -7.610 1.00 0.40 O ATOM 2021 CB GLU A 133 7.324 -10.153 -5.506 1.00 0.44 C ATOM 2022 CG GLU A 133 7.654 -11.595 -5.166 1.00 0.67 C ATOM 2023 CD GLU A 133 8.038 -11.781 -3.714 1.00 1.30 C ATOM 2024 OE1 GLU A 133 9.216 -11.553 -3.370 1.00 1.55 O ATOM 2025 OE2 GLU A 133 7.161 -12.147 -2.905 1.00 2.18 O ATOM 0 H GLU A 133 6.418 -7.981 -6.387 1.00 0.27 H new ATOM 0 HA GLU A 133 7.676 -10.286 -7.593 1.00 0.35 H new ATOM 0 HB2 GLU A 133 8.204 -9.537 -5.323 1.00 0.44 H new ATOM 0 HB3 GLU A 133 6.543 -9.801 -4.832 1.00 0.44 H new ATOM 0 HG2 GLU A 133 6.793 -12.223 -5.393 1.00 0.67 H new ATOM 0 HG3 GLU A 133 8.473 -11.935 -5.800 1.00 0.67 H new ATOM 2032 N TYR A 134 4.459 -10.057 -7.041 1.00 0.30 N ATOM 2033 CA TYR A 134 3.197 -10.636 -7.459 1.00 0.34 C ATOM 2034 C TYR A 134 2.881 -10.210 -8.890 1.00 0.36 C ATOM 2035 O TYR A 134 1.786 -10.444 -9.400 1.00 0.44 O ATOM 2036 CB TYR A 134 2.116 -10.255 -6.467 1.00 0.32 C ATOM 2037 CG TYR A 134 2.526 -10.647 -5.072 1.00 0.37 C ATOM 2038 CD1 TYR A 134 2.564 -11.976 -4.691 1.00 0.51 C ATOM 2039 CD2 TYR A 134 2.793 -9.680 -4.117 1.00 0.37 C ATOM 2040 CE1 TYR A 134 2.864 -12.334 -3.399 1.00 0.61 C ATOM 2041 CE2 TYR A 134 3.083 -10.027 -2.818 1.00 0.49 C ATOM 2042 CZ TYR A 134 3.439 -11.376 -2.566 1.00 0.57 C ATOM 2043 OH TYR A 134 3.394 -11.697 -1.166 1.00 0.74 O ATOM 0 H TYR A 134 4.390 -9.134 -6.612 1.00 0.30 H new ATOM 0 HA TYR A 134 3.255 -11.724 -7.465 1.00 0.34 H new ATOM 0 HB2 TYR A 134 1.934 -9.181 -6.512 1.00 0.32 H new ATOM 0 HB3 TYR A 134 1.180 -10.748 -6.731 1.00 0.32 H new ATOM 0 HD1 TYR A 134 2.355 -12.744 -5.421 1.00 0.51 H new ATOM 0 HD2 TYR A 134 2.773 -8.637 -4.397 1.00 0.37 H new ATOM 0 HE1 TYR A 134 2.660 -13.331 -3.038 1.00 0.61 H new ATOM 0 HE2 TYR A 134 3.041 -9.300 -2.021 1.00 0.49 H new ATOM 0 HH TYR A 134 3.744 -10.943 -0.646 1.00 0.74 H new ATOM 2053 N ASN A 135 3.895 -9.603 -9.523 1.00 0.35 N ATOM 2054 CA ASN A 135 3.848 -9.165 -10.921 1.00 0.38 C ATOM 2055 C ASN A 135 2.958 -7.953 -11.081 1.00 0.42 C ATOM 2056 O ASN A 135 2.469 -7.653 -12.168 1.00 0.59 O ATOM 2057 CB ASN A 135 3.409 -10.290 -11.863 1.00 0.47 C ATOM 2058 CG ASN A 135 4.569 -11.143 -12.339 1.00 1.19 C ATOM 2059 OD1 ASN A 135 5.193 -10.842 -13.355 1.00 1.94 O ATOM 2060 ND2 ASN A 135 4.866 -12.215 -11.623 1.00 1.89 N ATOM 0 H ASN A 135 4.785 -9.400 -9.068 1.00 0.35 H new ATOM 0 HA ASN A 135 4.864 -8.886 -11.202 1.00 0.38 H new ATOM 0 HB2 ASN A 135 2.684 -10.923 -11.352 1.00 0.47 H new ATOM 0 HB3 ASN A 135 2.903 -9.858 -12.726 1.00 0.47 H new ATOM 0 HD21 ASN A 135 5.634 -12.822 -11.909 1.00 1.89 H new ATOM 0 HD22 ASN A 135 4.327 -12.434 -10.785 1.00 1.89 H new ATOM 2067 N LEU A 136 2.773 -7.242 -9.987 1.00 0.38 N ATOM 2068 CA LEU A 136 2.105 -5.974 -10.020 1.00 0.46 C ATOM 2069 C LEU A 136 3.156 -4.897 -10.072 1.00 0.39 C ATOM 2070 O LEU A 136 3.503 -4.268 -9.072 1.00 0.43 O ATOM 2071 CB LEU A 136 1.174 -5.784 -8.844 1.00 0.62 C ATOM 2072 CG LEU A 136 -0.097 -6.628 -8.891 1.00 0.89 C ATOM 2073 CD1 LEU A 136 0.172 -8.034 -8.392 1.00 1.68 C ATOM 2074 CD2 LEU A 136 -1.196 -5.974 -8.085 1.00 1.44 C ATOM 0 H LEU A 136 3.083 -7.532 -9.059 1.00 0.38 H new ATOM 0 HA LEU A 136 1.472 -5.924 -10.906 1.00 0.46 H new ATOM 0 HB2 LEU A 136 1.716 -6.019 -7.928 1.00 0.62 H new ATOM 0 HB3 LEU A 136 0.893 -4.732 -8.787 1.00 0.62 H new ATOM 0 HG LEU A 136 -0.426 -6.695 -9.928 1.00 0.89 H new ATOM 0 HD11 LEU A 136 -0.748 -8.617 -8.434 1.00 1.68 H new ATOM 0 HD12 LEU A 136 0.929 -8.504 -9.019 1.00 1.68 H new ATOM 0 HD13 LEU A 136 0.528 -7.993 -7.363 1.00 1.68 H new ATOM 0 HD21 LEU A 136 -2.095 -6.589 -8.129 1.00 1.44 H new ATOM 0 HD22 LEU A 136 -0.876 -5.873 -7.048 1.00 1.44 H new ATOM 0 HD23 LEU A 136 -1.411 -4.987 -8.496 1.00 1.44 H new ATOM 2086 N VAL A 137 3.705 -4.760 -11.252 1.00 0.33 N ATOM 2087 CA VAL A 137 4.786 -3.837 -11.501 1.00 0.27 C ATOM 2088 C VAL A 137 4.320 -2.410 -11.353 1.00 0.26 C ATOM 2089 O VAL A 137 3.316 -2.009 -11.932 1.00 0.27 O ATOM 2090 CB VAL A 137 5.375 -4.005 -12.911 1.00 0.27 C ATOM 2091 CG1 VAL A 137 6.828 -4.442 -12.826 1.00 0.61 C ATOM 2092 CG2 VAL A 137 4.550 -4.983 -13.734 1.00 0.49 C ATOM 0 H VAL A 137 3.413 -5.289 -12.074 1.00 0.33 H new ATOM 0 HA VAL A 137 5.556 -4.062 -10.763 1.00 0.27 H new ATOM 0 HB VAL A 137 5.339 -3.041 -13.418 1.00 0.27 H new ATOM 0 HG11 VAL A 137 7.233 -4.557 -13.832 1.00 0.61 H new ATOM 0 HG12 VAL A 137 7.403 -3.689 -12.287 1.00 0.61 H new ATOM 0 HG13 VAL A 137 6.891 -5.394 -12.298 1.00 0.61 H new ATOM 0 HG21 VAL A 137 4.988 -5.083 -14.727 1.00 0.49 H new ATOM 0 HG22 VAL A 137 4.540 -5.955 -13.242 1.00 0.49 H new ATOM 0 HG23 VAL A 137 3.529 -4.612 -13.824 1.00 0.49 H new ATOM 2102 N PRO A 138 5.040 -1.639 -10.548 1.00 0.25 N ATOM 2103 CA PRO A 138 4.825 -0.205 -10.414 1.00 0.27 C ATOM 2104 C PRO A 138 4.711 0.498 -11.753 1.00 0.30 C ATOM 2105 O PRO A 138 5.263 0.058 -12.762 1.00 0.29 O ATOM 2106 CB PRO A 138 6.085 0.266 -9.727 1.00 0.30 C ATOM 2107 CG PRO A 138 6.497 -0.879 -8.894 1.00 0.29 C ATOM 2108 CD PRO A 138 6.108 -2.118 -9.655 1.00 0.27 C ATOM 0 HA PRO A 138 3.898 0.009 -9.882 1.00 0.27 H new ATOM 0 HB2 PRO A 138 6.857 0.530 -10.450 1.00 0.30 H new ATOM 0 HB3 PRO A 138 5.900 1.153 -9.121 1.00 0.30 H new ATOM 0 HG2 PRO A 138 7.571 -0.858 -8.708 1.00 0.29 H new ATOM 0 HG3 PRO A 138 6.005 -0.849 -7.922 1.00 0.29 H new ATOM 0 HD2 PRO A 138 6.949 -2.528 -10.215 1.00 0.27 H new ATOM 0 HD3 PRO A 138 5.754 -2.906 -8.990 1.00 0.27 H new ATOM 2116 N GLU A 139 4.037 1.619 -11.723 1.00 0.35 N ATOM 2117 CA GLU A 139 3.816 2.422 -12.913 1.00 0.40 C ATOM 2118 C GLU A 139 5.096 3.173 -13.221 1.00 0.42 C ATOM 2119 O GLU A 139 5.379 3.523 -14.365 1.00 0.50 O ATOM 2120 CB GLU A 139 2.657 3.389 -12.691 1.00 0.47 C ATOM 2121 CG GLU A 139 1.711 3.485 -13.875 1.00 0.80 C ATOM 2122 CD GLU A 139 2.374 4.021 -15.131 1.00 1.49 C ATOM 2123 OE1 GLU A 139 2.498 5.257 -15.272 1.00 1.98 O ATOM 2124 OE2 GLU A 139 2.778 3.207 -15.984 1.00 2.01 O ATOM 0 H GLU A 139 3.623 2.007 -10.875 1.00 0.35 H new ATOM 0 HA GLU A 139 3.554 1.784 -13.757 1.00 0.40 H new ATOM 0 HB2 GLU A 139 2.095 3.074 -11.812 1.00 0.47 H new ATOM 0 HB3 GLU A 139 3.057 4.380 -12.475 1.00 0.47 H new ATOM 0 HG2 GLU A 139 1.299 2.498 -14.083 1.00 0.80 H new ATOM 0 HG3 GLU A 139 0.873 4.131 -13.611 1.00 0.80 H new ATOM 2131 N GLU A 140 5.860 3.413 -12.167 1.00 0.42 N ATOM 2132 CA GLU A 140 7.224 3.914 -12.279 1.00 0.44 C ATOM 2133 C GLU A 140 8.010 3.026 -13.231 1.00 0.43 C ATOM 2134 O GLU A 140 8.769 3.499 -14.082 1.00 0.51 O ATOM 2135 CB GLU A 140 7.947 3.896 -10.911 1.00 0.45 C ATOM 2136 CG GLU A 140 7.123 3.389 -9.737 1.00 0.75 C ATOM 2137 CD GLU A 140 5.919 4.247 -9.405 1.00 0.87 C ATOM 2138 OE1 GLU A 140 6.119 5.329 -8.819 1.00 1.14 O ATOM 2139 OE2 GLU A 140 4.782 3.852 -9.735 1.00 1.01 O ATOM 0 H GLU A 140 5.552 3.266 -11.206 1.00 0.42 H new ATOM 0 HA GLU A 140 7.171 4.940 -12.645 1.00 0.44 H new ATOM 0 HB2 GLU A 140 8.839 3.276 -11.000 1.00 0.45 H new ATOM 0 HB3 GLU A 140 8.284 4.908 -10.685 1.00 0.45 H new ATOM 0 HG2 GLU A 140 6.784 2.377 -9.956 1.00 0.75 H new ATOM 0 HG3 GLU A 140 7.764 3.327 -8.858 1.00 0.75 H new ATOM 2146 N TRP A 141 7.807 1.722 -13.076 1.00 0.35 N ATOM 2147 CA TRP A 141 8.611 0.735 -13.777 1.00 0.35 C ATOM 2148 C TRP A 141 7.934 0.280 -15.061 1.00 0.38 C ATOM 2149 O TRP A 141 8.582 -0.283 -15.942 1.00 0.45 O ATOM 2150 CB TRP A 141 8.932 -0.444 -12.875 1.00 0.32 C ATOM 2151 CG TRP A 141 9.342 -0.045 -11.482 1.00 0.29 C ATOM 2152 CD1 TRP A 141 9.645 1.208 -11.032 1.00 0.34 C ATOM 2153 CD2 TRP A 141 9.491 -0.911 -10.362 1.00 0.25 C ATOM 2154 NE1 TRP A 141 9.904 1.188 -9.693 1.00 0.31 N ATOM 2155 CE2 TRP A 141 9.836 -0.114 -9.252 1.00 0.26 C ATOM 2156 CE3 TRP A 141 9.346 -2.279 -10.192 1.00 0.23 C ATOM 2157 CZ2 TRP A 141 10.034 -0.658 -7.983 1.00 0.24 C ATOM 2158 CZ3 TRP A 141 9.540 -2.821 -8.937 1.00 0.23 C ATOM 2159 CH2 TRP A 141 9.878 -2.015 -7.842 1.00 0.23 C ATOM 0 H TRP A 141 7.090 1.326 -12.469 1.00 0.35 H new ATOM 0 HA TRP A 141 9.552 1.209 -14.055 1.00 0.35 H new ATOM 0 HB2 TRP A 141 8.058 -1.093 -12.815 1.00 0.32 H new ATOM 0 HB3 TRP A 141 9.733 -1.029 -13.327 1.00 0.32 H new ATOM 0 HD1 TRP A 141 9.675 2.093 -11.651 1.00 0.34 H new ATOM 0 HE1 TRP A 141 10.113 2.002 -9.115 1.00 0.31 H new ATOM 0 HE3 TRP A 141 9.085 -2.911 -11.028 1.00 0.23 H new ATOM 0 HZ2 TRP A 141 10.300 -0.035 -7.142 1.00 0.24 H new ATOM 0 HZ3 TRP A 141 9.429 -3.886 -8.797 1.00 0.23 H new ATOM 0 HH2 TRP A 141 10.018 -2.468 -6.872 1.00 0.23 H new ATOM 2170 N GLY A 142 6.629 0.510 -15.164 1.00 0.35 N ATOM 2171 CA GLY A 142 5.954 0.298 -16.428 1.00 0.39 C ATOM 2172 C GLY A 142 4.982 -0.850 -16.375 1.00 0.38 C ATOM 2173 O GLY A 142 4.704 -1.494 -17.388 1.00 0.45 O ATOM 0 H GLY A 142 6.033 0.836 -14.403 1.00 0.35 H new ATOM 0 HA2 GLY A 142 5.423 1.207 -16.710 1.00 0.39 H new ATOM 0 HA3 GLY A 142 6.695 0.108 -17.205 1.00 0.39 H new ATOM 2177 N GLY A 143 4.480 -1.120 -15.186 1.00 0.33 N ATOM 2178 CA GLY A 143 3.481 -2.150 -15.032 1.00 0.34 C ATOM 2179 C GLY A 143 2.080 -1.592 -14.989 1.00 0.37 C ATOM 2180 O GLY A 143 1.547 -1.150 -16.009 1.00 0.50 O ATOM 0 H GLY A 143 4.746 -0.645 -14.324 1.00 0.33 H new ATOM 0 HA2 GLY A 143 3.562 -2.857 -15.858 1.00 0.34 H new ATOM 0 HA3 GLY A 143 3.676 -2.707 -14.115 1.00 0.34 H new ATOM 2184 N ASP A 144 1.482 -1.617 -13.811 1.00 0.33 N ATOM 2185 CA ASP A 144 0.129 -1.113 -13.623 1.00 0.40 C ATOM 2186 C ASP A 144 -0.166 -0.866 -12.145 1.00 0.30 C ATOM 2187 O ASP A 144 -1.321 -0.939 -11.697 1.00 0.32 O ATOM 2188 CB ASP A 144 -0.910 -2.080 -14.217 1.00 0.57 C ATOM 2189 CG ASP A 144 -0.753 -3.508 -13.727 1.00 0.93 C ATOM 2190 OD1 ASP A 144 -1.299 -3.829 -12.648 1.00 1.30 O ATOM 2191 OD2 ASP A 144 -0.072 -4.306 -14.395 1.00 1.19 O ATOM 0 H ASP A 144 1.914 -1.984 -12.963 1.00 0.33 H new ATOM 0 HA ASP A 144 0.058 -0.163 -14.152 1.00 0.40 H new ATOM 0 HB2 ASP A 144 -1.910 -1.726 -13.967 1.00 0.57 H new ATOM 0 HB3 ASP A 144 -0.829 -2.066 -15.304 1.00 0.57 H new ATOM 2196 N THR A 145 0.873 -0.554 -11.380 1.00 0.25 N ATOM 2197 CA THR A 145 0.692 -0.359 -9.945 1.00 0.24 C ATOM 2198 C THR A 145 1.137 1.033 -9.496 1.00 0.24 C ATOM 2199 O THR A 145 2.277 1.436 -9.706 1.00 0.31 O ATOM 2200 CB THR A 145 1.443 -1.445 -9.160 1.00 0.25 C ATOM 2201 OG1 THR A 145 1.089 -2.727 -9.688 1.00 0.32 O ATOM 2202 CG2 THR A 145 1.094 -1.398 -7.680 1.00 0.28 C ATOM 0 H THR A 145 1.828 -0.433 -11.717 1.00 0.25 H new ATOM 0 HA THR A 145 -0.374 -0.441 -9.734 1.00 0.24 H new ATOM 0 HB THR A 145 2.514 -1.270 -9.263 1.00 0.25 H new ATOM 0 HG1 THR A 145 0.123 -2.863 -9.597 1.00 0.32 H new ATOM 0 HG21 THR A 145 1.642 -2.179 -7.152 1.00 0.28 H new ATOM 0 HG22 THR A 145 1.367 -0.425 -7.273 1.00 0.28 H new ATOM 0 HG23 THR A 145 0.023 -1.557 -7.553 1.00 0.28 H new ATOM 2210 N ILE A 146 0.216 1.755 -8.863 1.00 0.26 N ATOM 2211 CA ILE A 146 0.451 3.140 -8.460 1.00 0.27 C ATOM 2212 C ILE A 146 1.012 3.213 -7.044 1.00 0.24 C ATOM 2213 O ILE A 146 0.291 2.983 -6.082 1.00 0.26 O ATOM 2214 CB ILE A 146 -0.859 3.950 -8.490 1.00 0.35 C ATOM 2215 CG1 ILE A 146 -1.602 3.718 -9.806 1.00 0.48 C ATOM 2216 CG2 ILE A 146 -0.566 5.432 -8.295 1.00 0.34 C ATOM 2217 CD1 ILE A 146 -3.020 4.242 -9.795 1.00 1.23 C ATOM 0 H ILE A 146 -0.708 1.400 -8.616 1.00 0.26 H new ATOM 0 HA ILE A 146 1.169 3.557 -9.167 1.00 0.27 H new ATOM 0 HB ILE A 146 -1.497 3.612 -7.673 1.00 0.35 H new ATOM 0 HG12 ILE A 146 -1.051 4.198 -10.615 1.00 0.48 H new ATOM 0 HG13 ILE A 146 -1.619 2.650 -10.022 1.00 0.48 H new ATOM 0 HG21 ILE A 146 -1.500 5.994 -8.318 1.00 0.34 H new ATOM 0 HG22 ILE A 146 -0.076 5.582 -7.333 1.00 0.34 H new ATOM 0 HG23 ILE A 146 0.088 5.782 -9.094 1.00 0.34 H new ATOM 0 HD11 ILE A 146 -3.488 4.044 -10.759 1.00 1.23 H new ATOM 0 HD12 ILE A 146 -3.586 3.744 -9.008 1.00 1.23 H new ATOM 0 HD13 ILE A 146 -3.010 5.316 -9.610 1.00 1.23 H new ATOM 2229 N PHE A 147 2.281 3.561 -6.917 1.00 0.23 N ATOM 2230 CA PHE A 147 2.931 3.604 -5.608 1.00 0.22 C ATOM 2231 C PHE A 147 2.874 4.990 -4.983 1.00 0.24 C ATOM 2232 O PHE A 147 3.396 5.958 -5.534 1.00 0.38 O ATOM 2233 CB PHE A 147 4.380 3.140 -5.709 1.00 0.23 C ATOM 2234 CG PHE A 147 4.500 1.656 -5.627 1.00 0.21 C ATOM 2235 CD1 PHE A 147 4.260 0.867 -6.735 1.00 0.20 C ATOM 2236 CD2 PHE A 147 4.819 1.048 -4.428 1.00 0.21 C ATOM 2237 CE1 PHE A 147 4.347 -0.507 -6.649 1.00 0.20 C ATOM 2238 CE2 PHE A 147 4.903 -0.325 -4.334 1.00 0.22 C ATOM 2239 CZ PHE A 147 4.667 -1.102 -5.449 1.00 0.19 C ATOM 0 H PHE A 147 2.884 3.818 -7.698 1.00 0.23 H new ATOM 0 HA PHE A 147 2.379 2.924 -4.959 1.00 0.22 H new ATOM 0 HB2 PHE A 147 4.806 3.486 -6.650 1.00 0.23 H new ATOM 0 HB3 PHE A 147 4.963 3.595 -4.908 1.00 0.23 H new ATOM 0 HD1 PHE A 147 4.002 1.330 -7.676 1.00 0.20 H new ATOM 0 HD2 PHE A 147 5.005 1.655 -3.554 1.00 0.21 H new ATOM 0 HE1 PHE A 147 4.164 -1.116 -7.522 1.00 0.20 H new ATOM 0 HE2 PHE A 147 5.152 -0.790 -3.392 1.00 0.22 H new ATOM 0 HZ PHE A 147 4.733 -2.178 -5.381 1.00 0.19 H new ATOM 2249 N CYS A 148 2.231 5.071 -3.833 1.00 0.25 N ATOM 2250 CA CYS A 148 2.171 6.298 -3.061 1.00 0.28 C ATOM 2251 C CYS A 148 2.850 6.101 -1.715 1.00 0.26 C ATOM 2252 O CYS A 148 2.360 5.342 -0.882 1.00 0.32 O ATOM 2253 CB CYS A 148 0.717 6.700 -2.832 1.00 0.30 C ATOM 2254 SG CYS A 148 -0.224 6.963 -4.354 1.00 1.10 S ATOM 0 H CYS A 148 1.735 4.288 -3.408 1.00 0.25 H new ATOM 0 HA CYS A 148 2.684 7.083 -3.616 1.00 0.28 H new ATOM 0 HB2 CYS A 148 0.226 5.926 -2.243 1.00 0.30 H new ATOM 0 HB3 CYS A 148 0.693 7.615 -2.240 1.00 0.30 H new ATOM 0 HG CYS A 148 0.596 7.175 -5.340 1.00 1.10 H new ATOM 2260 N LYS A 149 3.981 6.750 -1.505 1.00 0.37 N ATOM 2261 CA LYS A 149 4.608 6.741 -0.193 1.00 0.38 C ATOM 2262 C LYS A 149 4.064 7.909 0.620 1.00 0.39 C ATOM 2263 O LYS A 149 4.591 9.023 0.595 1.00 0.47 O ATOM 2264 CB LYS A 149 6.138 6.756 -0.309 1.00 0.47 C ATOM 2265 CG LYS A 149 6.712 7.865 -1.174 1.00 0.64 C ATOM 2266 CD LYS A 149 8.170 7.584 -1.512 1.00 0.94 C ATOM 2267 CE LYS A 149 8.829 8.756 -2.215 1.00 1.57 C ATOM 2268 NZ LYS A 149 9.130 9.866 -1.274 1.00 2.44 N ATOM 0 H LYS A 149 4.480 7.284 -2.216 1.00 0.37 H new ATOM 0 HA LYS A 149 4.362 5.818 0.331 1.00 0.38 H new ATOM 0 HB2 LYS A 149 6.561 6.842 0.692 1.00 0.47 H new ATOM 0 HB3 LYS A 149 6.465 5.797 -0.712 1.00 0.47 H new ATOM 0 HG2 LYS A 149 6.131 7.954 -2.092 1.00 0.64 H new ATOM 0 HG3 LYS A 149 6.632 8.819 -0.652 1.00 0.64 H new ATOM 0 HD2 LYS A 149 8.717 7.357 -0.597 1.00 0.94 H new ATOM 0 HD3 LYS A 149 8.231 6.700 -2.147 1.00 0.94 H new ATOM 0 HE2 LYS A 149 9.751 8.423 -2.691 1.00 1.57 H new ATOM 0 HE3 LYS A 149 8.175 9.119 -3.008 1.00 1.57 H new ATOM 0 HZ1 LYS A 149 9.625 10.627 -1.782 1.00 2.44 H new ATOM 0 HZ2 LYS A 149 8.242 10.235 -0.877 1.00 2.44 H new ATOM 0 HZ3 LYS A 149 9.734 9.514 -0.504 1.00 2.44 H new ATOM 2282 N LEU A 150 2.975 7.636 1.319 1.00 0.40 N ATOM 2283 CA LEU A 150 2.148 8.672 1.908 1.00 0.45 C ATOM 2284 C LEU A 150 2.112 8.603 3.428 1.00 0.45 C ATOM 2285 O LEU A 150 2.730 7.742 4.053 1.00 0.49 O ATOM 2286 CB LEU A 150 0.723 8.587 1.322 1.00 0.60 C ATOM 2287 CG LEU A 150 -0.167 7.378 1.693 1.00 0.49 C ATOM 2288 CD1 LEU A 150 0.616 6.097 1.861 1.00 1.25 C ATOM 2289 CD2 LEU A 150 -1.005 7.662 2.931 1.00 1.27 C ATOM 0 H LEU A 150 2.640 6.688 1.493 1.00 0.40 H new ATOM 0 HA LEU A 150 2.593 9.635 1.656 1.00 0.45 H new ATOM 0 HB2 LEU A 150 0.191 9.491 1.618 1.00 0.60 H new ATOM 0 HB3 LEU A 150 0.811 8.610 0.236 1.00 0.60 H new ATOM 0 HG LEU A 150 -0.838 7.229 0.847 1.00 0.49 H new ATOM 0 HD11 LEU A 150 -0.064 5.286 2.121 1.00 1.25 H new ATOM 0 HD12 LEU A 150 1.126 5.858 0.928 1.00 1.25 H new ATOM 0 HD13 LEU A 150 1.352 6.222 2.656 1.00 1.25 H new ATOM 0 HD21 LEU A 150 -1.618 6.791 3.163 1.00 1.27 H new ATOM 0 HD22 LEU A 150 -0.348 7.878 3.773 1.00 1.27 H new ATOM 0 HD23 LEU A 150 -1.650 8.521 2.745 1.00 1.27 H new ATOM 2301 N SER A 151 1.369 9.533 4.001 1.00 0.49 N ATOM 2302 CA SER A 151 1.214 9.636 5.436 1.00 0.55 C ATOM 2303 C SER A 151 -0.194 10.126 5.773 1.00 0.57 C ATOM 2304 O SER A 151 -0.553 11.275 5.493 1.00 0.60 O ATOM 2305 CB SER A 151 2.273 10.588 5.988 1.00 0.66 C ATOM 2306 OG SER A 151 2.338 11.771 5.207 1.00 1.79 O ATOM 0 H SER A 151 0.854 10.241 3.478 1.00 0.49 H new ATOM 0 HA SER A 151 1.349 8.657 5.896 1.00 0.55 H new ATOM 0 HB2 SER A 151 2.039 10.841 7.022 1.00 0.66 H new ATOM 0 HB3 SER A 151 3.245 10.095 5.993 1.00 0.66 H new ATOM 0 HG SER A 151 2.981 12.392 5.607 1.00 1.79 H new ATOM 2312 N ALA A 152 -1.000 9.241 6.343 1.00 0.62 N ATOM 2313 CA ALA A 152 -2.375 9.576 6.701 1.00 0.70 C ATOM 2314 C ALA A 152 -2.439 10.286 8.048 1.00 0.74 C ATOM 2315 O ALA A 152 -3.416 10.971 8.347 1.00 0.87 O ATOM 2316 CB ALA A 152 -3.231 8.318 6.718 1.00 0.86 C ATOM 0 H ALA A 152 -0.727 8.284 6.568 1.00 0.62 H new ATOM 0 HA ALA A 152 -2.766 10.260 5.948 1.00 0.70 H new ATOM 0 HB1 ALA A 152 -4.255 8.578 6.986 1.00 0.86 H new ATOM 0 HB2 ALA A 152 -3.220 7.857 5.730 1.00 0.86 H new ATOM 0 HB3 ALA A 152 -2.832 7.616 7.450 1.00 0.86 H new ATOM 2322 N LYS A 153 -1.390 10.143 8.850 1.00 0.77 N ATOM 2323 CA LYS A 153 -1.371 10.718 10.180 1.00 0.93 C ATOM 2324 C LYS A 153 -1.031 12.195 10.110 1.00 0.86 C ATOM 2325 O LYS A 153 -1.758 13.044 10.621 1.00 0.96 O ATOM 2326 CB LYS A 153 -0.369 9.967 11.061 1.00 1.13 C ATOM 2327 CG LYS A 153 1.084 10.052 10.616 1.00 1.19 C ATOM 2328 CD LYS A 153 2.008 9.300 11.563 1.00 1.68 C ATOM 2329 CE LYS A 153 1.830 7.793 11.451 1.00 2.31 C ATOM 2330 NZ LYS A 153 2.774 7.055 12.331 1.00 3.03 N ATOM 0 H LYS A 153 -0.544 9.633 8.598 1.00 0.77 H new ATOM 0 HA LYS A 153 -2.361 10.619 10.625 1.00 0.93 H new ATOM 0 HB2 LYS A 153 -0.443 10.354 12.077 1.00 1.13 H new ATOM 0 HB3 LYS A 153 -0.659 8.917 11.098 1.00 1.13 H new ATOM 0 HG2 LYS A 153 1.181 9.642 9.611 1.00 1.19 H new ATOM 0 HG3 LYS A 153 1.388 11.097 10.565 1.00 1.19 H new ATOM 0 HD2 LYS A 153 3.043 9.561 11.343 1.00 1.68 H new ATOM 0 HD3 LYS A 153 1.811 9.614 12.588 1.00 1.68 H new ATOM 0 HE2 LYS A 153 0.806 7.528 11.714 1.00 2.31 H new ATOM 0 HE3 LYS A 153 1.983 7.486 10.416 1.00 2.31 H new ATOM 0 HZ1 LYS A 153 2.620 6.032 12.225 1.00 3.03 H new ATOM 0 HZ2 LYS A 153 3.752 7.287 12.064 1.00 3.03 H new ATOM 0 HZ3 LYS A 153 2.612 7.329 13.321 1.00 3.03 H new ATOM 2344 N THR A 154 0.068 12.485 9.442 1.00 0.78 N ATOM 2345 CA THR A 154 0.521 13.852 9.262 1.00 0.81 C ATOM 2346 C THR A 154 -0.274 14.556 8.163 1.00 0.73 C ATOM 2347 O THR A 154 -0.061 15.735 7.877 1.00 0.82 O ATOM 2348 CB THR A 154 2.027 13.906 8.946 1.00 0.89 C ATOM 2349 OG1 THR A 154 2.334 13.014 7.872 1.00 1.19 O ATOM 2350 CG2 THR A 154 2.856 13.534 10.165 1.00 1.20 C ATOM 0 H THR A 154 0.670 11.784 9.010 1.00 0.78 H new ATOM 0 HA THR A 154 0.350 14.376 10.202 1.00 0.81 H new ATOM 0 HB THR A 154 2.274 14.928 8.657 1.00 0.89 H new ATOM 0 HG1 THR A 154 3.043 13.402 7.317 1.00 1.19 H new ATOM 0 HG21 THR A 154 3.915 13.581 9.913 1.00 1.20 H new ATOM 0 HG22 THR A 154 2.645 14.232 10.975 1.00 1.20 H new ATOM 0 HG23 THR A 154 2.603 12.522 10.482 1.00 1.20 H new ATOM 2358 N LYS A 155 -1.185 13.794 7.553 1.00 0.65 N ATOM 2359 CA LYS A 155 -2.158 14.313 6.598 1.00 0.67 C ATOM 2360 C LYS A 155 -1.484 14.923 5.368 1.00 0.66 C ATOM 2361 O LYS A 155 -1.847 16.004 4.908 1.00 0.86 O ATOM 2362 CB LYS A 155 -3.078 15.327 7.290 1.00 0.86 C ATOM 2363 CG LYS A 155 -4.379 15.578 6.547 1.00 1.27 C ATOM 2364 CD LYS A 155 -5.068 14.270 6.194 1.00 1.12 C ATOM 2365 CE LYS A 155 -6.440 14.506 5.591 1.00 1.39 C ATOM 2366 NZ LYS A 155 -6.407 15.531 4.510 1.00 2.27 N ATOM 0 H LYS A 155 -1.266 12.790 7.712 1.00 0.65 H new ATOM 0 HA LYS A 155 -2.760 13.478 6.240 1.00 0.67 H new ATOM 0 HB2 LYS A 155 -3.307 14.970 8.294 1.00 0.86 H new ATOM 0 HB3 LYS A 155 -2.545 16.271 7.401 1.00 0.86 H new ATOM 0 HG2 LYS A 155 -5.041 16.187 7.162 1.00 1.27 H new ATOM 0 HG3 LYS A 155 -4.179 16.144 5.637 1.00 1.27 H new ATOM 0 HD2 LYS A 155 -4.451 13.712 5.489 1.00 1.12 H new ATOM 0 HD3 LYS A 155 -5.164 13.656 7.089 1.00 1.12 H new ATOM 0 HE2 LYS A 155 -6.826 13.569 5.190 1.00 1.39 H new ATOM 0 HE3 LYS A 155 -7.129 14.826 6.373 1.00 1.39 H new ATOM 0 HZ1 LYS A 155 -7.346 15.600 4.069 1.00 2.27 H new ATOM 0 HZ2 LYS A 155 -6.145 16.453 4.914 1.00 2.27 H new ATOM 0 HZ3 LYS A 155 -5.707 15.256 3.792 1.00 2.27 H new ATOM 2380 N GLU A 156 -0.506 14.209 4.832 1.00 0.62 N ATOM 2381 CA GLU A 156 0.181 14.643 3.626 1.00 0.66 C ATOM 2382 C GLU A 156 -0.237 13.779 2.444 1.00 0.59 C ATOM 2383 O GLU A 156 -1.005 14.196 1.571 1.00 0.58 O ATOM 2384 CB GLU A 156 1.694 14.529 3.802 1.00 0.75 C ATOM 2385 CG GLU A 156 2.243 15.237 5.024 1.00 1.13 C ATOM 2386 CD GLU A 156 3.697 14.894 5.256 1.00 1.78 C ATOM 2387 OE1 GLU A 156 4.567 15.516 4.614 1.00 2.03 O ATOM 2388 OE2 GLU A 156 3.976 13.987 6.070 1.00 2.64 O ATOM 0 H GLU A 156 -0.170 13.325 5.214 1.00 0.62 H new ATOM 0 HA GLU A 156 -0.088 15.683 3.440 1.00 0.66 H new ATOM 0 HB2 GLU A 156 1.961 13.474 3.859 1.00 0.75 H new ATOM 0 HB3 GLU A 156 2.181 14.933 2.915 1.00 0.75 H new ATOM 0 HG2 GLU A 156 2.138 16.315 4.899 1.00 1.13 H new ATOM 0 HG3 GLU A 156 1.658 14.959 5.901 1.00 1.13 H new ATOM 2395 N GLY A 157 0.267 12.552 2.448 1.00 0.62 N ATOM 2396 CA GLY A 157 0.058 11.647 1.348 1.00 0.61 C ATOM 2397 C GLY A 157 -1.384 11.226 1.166 1.00 0.48 C ATOM 2398 O GLY A 157 -1.750 10.729 0.111 1.00 0.46 O ATOM 0 H GLY A 157 0.825 12.168 3.210 1.00 0.62 H new ATOM 0 HA2 GLY A 157 0.407 12.120 0.430 1.00 0.61 H new ATOM 0 HA3 GLY A 157 0.669 10.758 1.501 1.00 0.61 H new ATOM 2402 N LEU A 158 -2.193 11.397 2.201 1.00 0.48 N ATOM 2403 CA LEU A 158 -3.628 11.118 2.115 1.00 0.50 C ATOM 2404 C LEU A 158 -4.237 11.891 0.942 1.00 0.46 C ATOM 2405 O LEU A 158 -4.968 11.333 0.119 1.00 0.51 O ATOM 2406 CB LEU A 158 -4.299 11.504 3.445 1.00 0.62 C ATOM 2407 CG LEU A 158 -5.757 11.059 3.640 1.00 0.83 C ATOM 2408 CD1 LEU A 158 -6.726 11.991 2.923 1.00 1.55 C ATOM 2409 CD2 LEU A 158 -5.954 9.630 3.162 1.00 1.27 C ATOM 0 H LEU A 158 -1.884 11.728 3.115 1.00 0.48 H new ATOM 0 HA LEU A 158 -3.792 10.055 1.939 1.00 0.50 H new ATOM 0 HB2 LEU A 158 -3.705 11.088 4.259 1.00 0.62 H new ATOM 0 HB3 LEU A 158 -4.259 12.589 3.544 1.00 0.62 H new ATOM 0 HG LEU A 158 -5.971 11.105 4.708 1.00 0.83 H new ATOM 0 HD11 LEU A 158 -7.748 11.646 3.082 1.00 1.55 H new ATOM 0 HD12 LEU A 158 -6.618 13.001 3.318 1.00 1.55 H new ATOM 0 HD13 LEU A 158 -6.506 11.993 1.855 1.00 1.55 H new ATOM 0 HD21 LEU A 158 -6.993 9.337 3.310 1.00 1.27 H new ATOM 0 HD22 LEU A 158 -5.705 9.563 2.103 1.00 1.27 H new ATOM 0 HD23 LEU A 158 -5.305 8.964 3.730 1.00 1.27 H new ATOM 2421 N ASP A 159 -3.898 13.166 0.860 1.00 0.48 N ATOM 2422 CA ASP A 159 -4.388 14.029 -0.203 1.00 0.57 C ATOM 2423 C ASP A 159 -3.713 13.688 -1.528 1.00 0.50 C ATOM 2424 O ASP A 159 -4.337 13.754 -2.590 1.00 0.52 O ATOM 2425 CB ASP A 159 -4.134 15.495 0.160 1.00 0.73 C ATOM 2426 CG ASP A 159 -4.946 15.946 1.364 1.00 1.54 C ATOM 2427 OD1 ASP A 159 -4.728 15.398 2.468 1.00 2.50 O ATOM 2428 OD2 ASP A 159 -5.795 16.854 1.217 1.00 1.58 O ATOM 0 H ASP A 159 -3.279 13.631 1.524 1.00 0.48 H new ATOM 0 HA ASP A 159 -5.460 13.870 -0.316 1.00 0.57 H new ATOM 0 HB2 ASP A 159 -3.073 15.636 0.368 1.00 0.73 H new ATOM 0 HB3 ASP A 159 -4.378 16.125 -0.695 1.00 0.73 H new ATOM 2433 N HIS A 160 -2.438 13.312 -1.458 1.00 0.47 N ATOM 2434 CA HIS A 160 -1.686 12.909 -2.649 1.00 0.46 C ATOM 2435 C HIS A 160 -2.250 11.615 -3.230 1.00 0.41 C ATOM 2436 O HIS A 160 -2.259 11.419 -4.447 1.00 0.43 O ATOM 2437 CB HIS A 160 -0.198 12.725 -2.314 1.00 0.50 C ATOM 2438 CG HIS A 160 0.649 12.331 -3.492 1.00 0.56 C ATOM 2439 ND1 HIS A 160 1.032 13.223 -4.468 1.00 0.67 N ATOM 2440 CD2 HIS A 160 1.185 11.136 -3.844 1.00 0.59 C ATOM 2441 CE1 HIS A 160 1.768 12.597 -5.371 1.00 0.73 C ATOM 2442 NE2 HIS A 160 1.873 11.332 -5.015 1.00 0.67 N ATOM 0 H HIS A 160 -1.902 13.277 -0.591 1.00 0.47 H new ATOM 0 HA HIS A 160 -1.784 13.700 -3.392 1.00 0.46 H new ATOM 0 HB2 HIS A 160 0.188 13.655 -1.897 1.00 0.50 H new ATOM 0 HB3 HIS A 160 -0.102 11.964 -1.539 1.00 0.50 H new ATOM 0 HD2 HIS A 160 1.089 10.205 -3.304 1.00 0.59 H new ATOM 0 HE1 HIS A 160 2.208 13.045 -6.250 1.00 0.73 H new ATOM 0 HE2 HIS A 160 2.384 10.614 -5.528 1.00 0.67 H new ATOM 2451 N LEU A 161 -2.711 10.741 -2.350 1.00 0.39 N ATOM 2452 CA LEU A 161 -3.263 9.453 -2.744 1.00 0.39 C ATOM 2453 C LEU A 161 -4.461 9.637 -3.664 1.00 0.39 C ATOM 2454 O LEU A 161 -4.502 9.083 -4.763 1.00 0.42 O ATOM 2455 CB LEU A 161 -3.674 8.659 -1.502 1.00 0.41 C ATOM 2456 CG LEU A 161 -4.285 7.288 -1.777 1.00 0.51 C ATOM 2457 CD1 LEU A 161 -3.293 6.402 -2.511 1.00 0.91 C ATOM 2458 CD2 LEU A 161 -4.732 6.637 -0.480 1.00 0.88 C ATOM 0 H LEU A 161 -2.714 10.903 -1.343 1.00 0.39 H new ATOM 0 HA LEU A 161 -2.495 8.901 -3.286 1.00 0.39 H new ATOM 0 HB2 LEU A 161 -2.797 8.527 -0.869 1.00 0.41 H new ATOM 0 HB3 LEU A 161 -4.391 9.251 -0.934 1.00 0.41 H new ATOM 0 HG LEU A 161 -5.161 7.419 -2.413 1.00 0.51 H new ATOM 0 HD11 LEU A 161 -3.745 5.428 -2.699 1.00 0.91 H new ATOM 0 HD12 LEU A 161 -3.023 6.866 -3.460 1.00 0.91 H new ATOM 0 HD13 LEU A 161 -2.398 6.275 -1.902 1.00 0.91 H new ATOM 0 HD21 LEU A 161 -5.165 5.660 -0.694 1.00 0.88 H new ATOM 0 HD22 LEU A 161 -3.874 6.516 0.181 1.00 0.88 H new ATOM 0 HD23 LEU A 161 -5.478 7.267 0.005 1.00 0.88 H new ATOM 2470 N LEU A 162 -5.421 10.436 -3.213 1.00 0.40 N ATOM 2471 CA LEU A 162 -6.628 10.707 -3.983 1.00 0.44 C ATOM 2472 C LEU A 162 -6.294 11.266 -5.358 1.00 0.45 C ATOM 2473 O LEU A 162 -6.944 10.928 -6.348 1.00 0.48 O ATOM 2474 CB LEU A 162 -7.512 11.689 -3.223 1.00 0.50 C ATOM 2475 CG LEU A 162 -8.119 11.142 -1.934 1.00 0.69 C ATOM 2476 CD1 LEU A 162 -8.875 12.237 -1.196 1.00 1.05 C ATOM 2477 CD2 LEU A 162 -9.039 9.971 -2.246 1.00 1.06 C ATOM 0 H LEU A 162 -5.385 10.911 -2.311 1.00 0.40 H new ATOM 0 HA LEU A 162 -7.161 9.767 -4.123 1.00 0.44 H new ATOM 0 HB2 LEU A 162 -6.924 12.575 -2.983 1.00 0.50 H new ATOM 0 HB3 LEU A 162 -8.320 12.011 -3.880 1.00 0.50 H new ATOM 0 HG LEU A 162 -7.315 10.789 -1.289 1.00 0.69 H new ATOM 0 HD11 LEU A 162 -9.302 11.830 -0.279 1.00 1.05 H new ATOM 0 HD12 LEU A 162 -8.191 13.049 -0.949 1.00 1.05 H new ATOM 0 HD13 LEU A 162 -9.675 12.618 -1.831 1.00 1.05 H new ATOM 0 HD21 LEU A 162 -9.467 9.588 -1.320 1.00 1.06 H new ATOM 0 HD22 LEU A 162 -9.840 10.304 -2.906 1.00 1.06 H new ATOM 0 HD23 LEU A 162 -8.470 9.181 -2.736 1.00 1.06 H new ATOM 2489 N GLU A 163 -5.265 12.104 -5.419 1.00 0.46 N ATOM 2490 CA GLU A 163 -4.839 12.697 -6.680 1.00 0.52 C ATOM 2491 C GLU A 163 -4.392 11.622 -7.663 1.00 0.51 C ATOM 2492 O GLU A 163 -4.675 11.706 -8.854 1.00 0.56 O ATOM 2493 CB GLU A 163 -3.709 13.703 -6.450 1.00 0.62 C ATOM 2494 CG GLU A 163 -4.153 14.964 -5.726 1.00 1.06 C ATOM 2495 CD GLU A 163 -5.170 15.765 -6.518 1.00 1.75 C ATOM 2496 OE1 GLU A 163 -6.378 15.452 -6.437 1.00 2.49 O ATOM 2497 OE2 GLU A 163 -4.774 16.707 -7.228 1.00 1.97 O ATOM 0 H GLU A 163 -4.711 12.387 -4.611 1.00 0.46 H new ATOM 0 HA GLU A 163 -5.693 13.222 -7.108 1.00 0.52 H new ATOM 0 HB2 GLU A 163 -2.918 13.223 -5.874 1.00 0.62 H new ATOM 0 HB3 GLU A 163 -3.279 13.979 -7.413 1.00 0.62 H new ATOM 0 HG2 GLU A 163 -4.582 14.693 -4.761 1.00 1.06 H new ATOM 0 HG3 GLU A 163 -3.282 15.588 -5.524 1.00 1.06 H new ATOM 2504 N MET A 164 -3.711 10.599 -7.155 1.00 0.49 N ATOM 2505 CA MET A 164 -3.227 9.508 -7.997 1.00 0.52 C ATOM 2506 C MET A 164 -4.383 8.606 -8.413 1.00 0.51 C ATOM 2507 O MET A 164 -4.496 8.213 -9.577 1.00 0.57 O ATOM 2508 CB MET A 164 -2.161 8.692 -7.259 1.00 0.53 C ATOM 2509 CG MET A 164 -0.937 9.493 -6.824 1.00 0.68 C ATOM 2510 SD MET A 164 0.065 10.106 -8.199 1.00 0.87 S ATOM 2511 CE MET A 164 -0.869 11.539 -8.737 1.00 0.67 C ATOM 0 H MET A 164 -3.482 10.502 -6.166 1.00 0.49 H new ATOM 0 HA MET A 164 -2.778 9.938 -8.892 1.00 0.52 H new ATOM 0 HB2 MET A 164 -2.615 8.239 -6.378 1.00 0.53 H new ATOM 0 HB3 MET A 164 -1.835 7.877 -7.904 1.00 0.53 H new ATOM 0 HG2 MET A 164 -1.265 10.340 -6.221 1.00 0.68 H new ATOM 0 HG3 MET A 164 -0.314 8.868 -6.184 1.00 0.68 H new ATOM 0 HE1 MET A 164 -0.184 12.359 -8.955 1.00 0.67 H new ATOM 0 HE2 MET A 164 -1.434 11.289 -9.635 1.00 0.67 H new ATOM 0 HE3 MET A 164 -1.558 11.842 -7.948 1.00 0.67 H new ATOM 2521 N ILE A 165 -5.240 8.291 -7.447 1.00 0.48 N ATOM 2522 CA ILE A 165 -6.447 7.521 -7.676 1.00 0.51 C ATOM 2523 C ILE A 165 -7.267 8.133 -8.817 1.00 0.58 C ATOM 2524 O ILE A 165 -7.562 7.471 -9.816 1.00 0.64 O ATOM 2525 CB ILE A 165 -7.290 7.516 -6.387 1.00 0.50 C ATOM 2526 CG1 ILE A 165 -6.531 6.830 -5.249 1.00 0.48 C ATOM 2527 CG2 ILE A 165 -8.619 6.842 -6.619 1.00 0.59 C ATOM 2528 CD1 ILE A 165 -7.236 6.922 -3.911 1.00 0.50 C ATOM 0 H ILE A 165 -5.110 8.569 -6.474 1.00 0.48 H new ATOM 0 HA ILE A 165 -6.173 6.503 -7.951 1.00 0.51 H new ATOM 0 HB ILE A 165 -7.478 8.551 -6.100 1.00 0.50 H new ATOM 0 HG12 ILE A 165 -6.384 5.780 -5.502 1.00 0.48 H new ATOM 0 HG13 ILE A 165 -5.541 7.278 -5.161 1.00 0.48 H new ATOM 0 HG21 ILE A 165 -9.197 6.850 -5.695 1.00 0.59 H new ATOM 0 HG22 ILE A 165 -9.167 7.376 -7.395 1.00 0.59 H new ATOM 0 HG23 ILE A 165 -8.454 5.812 -6.935 1.00 0.59 H new ATOM 0 HD11 ILE A 165 -6.642 6.415 -3.151 1.00 0.50 H new ATOM 0 HD12 ILE A 165 -7.359 7.969 -3.636 1.00 0.50 H new ATOM 0 HD13 ILE A 165 -8.215 6.448 -3.982 1.00 0.50 H new ATOM 2540 N LEU A 166 -7.602 9.412 -8.665 1.00 0.61 N ATOM 2541 CA LEU A 166 -8.415 10.123 -9.640 1.00 0.72 C ATOM 2542 C LEU A 166 -7.696 10.266 -10.973 1.00 0.72 C ATOM 2543 O LEU A 166 -8.302 10.076 -12.031 1.00 0.81 O ATOM 2544 CB LEU A 166 -8.764 11.504 -9.104 1.00 0.82 C ATOM 2545 CG LEU A 166 -9.666 11.514 -7.869 1.00 0.98 C ATOM 2546 CD1 LEU A 166 -9.805 12.926 -7.327 1.00 1.81 C ATOM 2547 CD2 LEU A 166 -11.033 10.937 -8.209 1.00 1.48 C ATOM 0 H LEU A 166 -7.318 9.979 -7.866 1.00 0.61 H new ATOM 0 HA LEU A 166 -9.323 9.543 -9.805 1.00 0.72 H new ATOM 0 HB2 LEU A 166 -7.839 12.027 -8.863 1.00 0.82 H new ATOM 0 HB3 LEU A 166 -9.253 12.071 -9.896 1.00 0.82 H new ATOM 0 HG LEU A 166 -9.209 10.892 -7.099 1.00 0.98 H new ATOM 0 HD11 LEU A 166 -10.450 12.917 -6.448 1.00 1.81 H new ATOM 0 HD12 LEU A 166 -8.822 13.308 -7.052 1.00 1.81 H new ATOM 0 HD13 LEU A 166 -10.243 13.568 -8.092 1.00 1.81 H new ATOM 0 HD21 LEU A 166 -11.665 10.950 -7.321 1.00 1.48 H new ATOM 0 HD22 LEU A 166 -11.496 11.536 -8.993 1.00 1.48 H new ATOM 0 HD23 LEU A 166 -10.918 9.911 -8.557 1.00 1.48 H new ATOM 2559 N LEU A 167 -6.409 10.598 -10.913 1.00 0.69 N ATOM 2560 CA LEU A 167 -5.605 10.799 -12.114 1.00 0.79 C ATOM 2561 C LEU A 167 -5.739 9.611 -13.053 1.00 0.87 C ATOM 2562 O LEU A 167 -5.943 9.778 -14.252 1.00 1.02 O ATOM 2563 CB LEU A 167 -4.131 11.002 -11.751 1.00 0.84 C ATOM 2564 CG LEU A 167 -3.206 11.304 -12.933 1.00 1.06 C ATOM 2565 CD1 LEU A 167 -3.572 12.634 -13.576 1.00 1.42 C ATOM 2566 CD2 LEU A 167 -1.751 11.305 -12.485 1.00 1.41 C ATOM 0 H LEU A 167 -5.899 10.734 -10.040 1.00 0.69 H new ATOM 0 HA LEU A 167 -5.973 11.693 -12.617 1.00 0.79 H new ATOM 0 HB2 LEU A 167 -4.059 11.821 -11.035 1.00 0.84 H new ATOM 0 HB3 LEU A 167 -3.770 10.105 -11.247 1.00 0.84 H new ATOM 0 HG LEU A 167 -3.335 10.520 -13.679 1.00 1.06 H new ATOM 0 HD11 LEU A 167 -2.903 12.830 -14.414 1.00 1.42 H new ATOM 0 HD12 LEU A 167 -4.600 12.594 -13.935 1.00 1.42 H new ATOM 0 HD13 LEU A 167 -3.475 13.433 -12.840 1.00 1.42 H new ATOM 0 HD21 LEU A 167 -1.108 11.521 -13.338 1.00 1.41 H new ATOM 0 HD22 LEU A 167 -1.607 12.067 -11.719 1.00 1.41 H new ATOM 0 HD23 LEU A 167 -1.495 10.327 -12.077 1.00 1.41 H new ATOM 2578 N VAL A 168 -5.664 8.414 -12.492 1.00 0.83 N ATOM 2579 CA VAL A 168 -5.709 7.204 -13.280 1.00 0.96 C ATOM 2580 C VAL A 168 -7.140 6.840 -13.660 1.00 1.01 C ATOM 2581 O VAL A 168 -7.399 6.448 -14.797 1.00 1.14 O ATOM 2582 CB VAL A 168 -5.031 6.047 -12.524 1.00 1.03 C ATOM 2583 CG1 VAL A 168 -5.402 4.710 -13.128 1.00 1.17 C ATOM 2584 CG2 VAL A 168 -3.524 6.240 -12.539 1.00 1.14 C ATOM 0 H VAL A 168 -5.571 8.260 -11.488 1.00 0.83 H new ATOM 0 HA VAL A 168 -5.161 7.383 -14.205 1.00 0.96 H new ATOM 0 HB VAL A 168 -5.382 6.053 -11.492 1.00 1.03 H new ATOM 0 HG11 VAL A 168 -4.909 3.911 -12.574 1.00 1.17 H new ATOM 0 HG12 VAL A 168 -6.482 4.574 -13.076 1.00 1.17 H new ATOM 0 HG13 VAL A 168 -5.082 4.680 -14.170 1.00 1.17 H new ATOM 0 HG21 VAL A 168 -3.047 5.420 -12.003 1.00 1.14 H new ATOM 0 HG22 VAL A 168 -3.169 6.255 -13.570 1.00 1.14 H new ATOM 0 HG23 VAL A 168 -3.273 7.184 -12.055 1.00 1.14 H new