USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=23 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 148 CYS SG : rot 120:sc= -0.0441 USER MOD Set 1.2: A 160 HIS : no HE2:sc= 1.15 K(o=1.1,f=-4!) USER MOD Set 2.1: A 19 HIS : no HD1:sc= -2.31 X(o=-2.7,f=-2.4!) USER MOD Set 2.2: A 96 THR OG1 : rot -80:sc= -0.416 USER MOD Set 3.1: A 31 SER OG : rot 180:sc= -1.33 USER MOD Set 3.2: A 155 LYS NZ :NH3+ -153:sc= -0.0166 (180deg=-0.282) USER MOD Set 4.1: A 16 HIS : no HD1:sc= -3.62! C(o=-4.7!,f=-9.8!) USER MOD Set 4.2: A 93 MET CE :methyl 133:sc= -1.09 (180deg=-2.25!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -157:sc= -0.0169 (180deg=-0.463) USER MOD Single : A 21 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.043) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 39:sc= 0.286 USER MOD Single : A 30 HIS : no HD1:sc= -0.0115 X(o=-0.011,f=0) USER MOD Single : A 48 TYR OH : rot 125:sc= -3.77! USER MOD Single : A 49 GLN : amide:sc= -0.874 K(o=-0.87,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.163 K(o=-0.16,f=-1) USER MOD Single : A 101 ASN : amide:sc= -0.014 X(o=-0.014,f=-0.42) USER MOD Single : A 102 HIS : no HD1:sc= -0.0761 X(o=-0.076,f=-0.0071) USER MOD Single : A 104 LYS NZ :NH3+ 169:sc= -0.0184 (180deg=-0.181) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0.014) USER MOD Single : A 115 ASN : amide:sc= -0.146 K(o=-0.15,f=-6.7!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 MET CE :methyl 163:sc= -4.25! (180deg=-5.49!) USER MOD Single : A 123 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 128 MET CE :methyl -129:sc= -3.18! (180deg=-5.73!) USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 MET CE :methyl 155:sc= -2.16! (180deg=-5.89!) USER MOD Single : A 134 TYR OH : rot 180:sc= -2.87! USER MOD Single : A 135 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 145 THR OG1 : rot -64:sc= -1.78! USER MOD Single : A 149 LYS NZ :NH3+ -165:sc= -0.0145 (180deg=-0.235) USER MOD Single : A 151 SER OG : rot 6:sc= 0.181 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 THR OG1 : rot 174:sc= 0.335 USER MOD Single : A 164 MET CE :methyl 143:sc= -1.84! (180deg=-4.72!) USER MOD ----------------------------------------------------------------- ATOM 155 N VAL A 11 -13.864 2.912 -5.584 1.00 0.67 N ATOM 156 CA VAL A 11 -12.565 2.725 -4.994 1.00 0.60 C ATOM 157 C VAL A 11 -12.648 1.828 -3.755 1.00 0.56 C ATOM 158 O VAL A 11 -13.147 2.241 -2.704 1.00 0.74 O ATOM 159 CB VAL A 11 -11.958 4.085 -4.617 1.00 0.61 C ATOM 160 CG1 VAL A 11 -10.742 3.901 -3.747 1.00 1.00 C ATOM 161 CG2 VAL A 11 -11.607 4.882 -5.865 1.00 0.98 C ATOM 0 HA VAL A 11 -11.925 2.235 -5.728 1.00 0.60 H new ATOM 0 HB VAL A 11 -12.703 4.645 -4.052 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -10.327 4.876 -3.491 1.00 1.00 H new ATOM 0 HG12 VAL A 11 -11.024 3.376 -2.835 1.00 1.00 H new ATOM 0 HG13 VAL A 11 -9.994 3.318 -4.285 1.00 1.00 H new ATOM 0 HG21 VAL A 11 -11.179 5.842 -5.575 1.00 0.98 H new ATOM 0 HG22 VAL A 11 -10.882 4.326 -6.460 1.00 0.98 H new ATOM 0 HG23 VAL A 11 -12.508 5.050 -6.455 1.00 0.98 H new ATOM 171 N THR A 12 -12.173 0.602 -3.885 1.00 0.46 N ATOM 172 CA THR A 12 -12.133 -0.319 -2.762 1.00 0.45 C ATOM 173 C THR A 12 -10.739 -0.332 -2.132 1.00 0.39 C ATOM 174 O THR A 12 -9.726 -0.407 -2.828 1.00 0.43 O ATOM 175 CB THR A 12 -12.537 -1.747 -3.194 1.00 0.55 C ATOM 176 OG1 THR A 12 -13.857 -1.725 -3.760 1.00 0.66 O ATOM 177 CG2 THR A 12 -12.511 -2.707 -2.014 1.00 0.62 C ATOM 0 H THR A 12 -11.809 0.220 -4.758 1.00 0.46 H new ATOM 0 HA THR A 12 -12.853 0.027 -2.020 1.00 0.45 H new ATOM 0 HB THR A 12 -11.818 -2.093 -3.936 1.00 0.55 H new ATOM 0 HG1 THR A 12 -14.110 -2.631 -4.035 1.00 0.66 H new ATOM 0 HG21 THR A 12 -12.800 -3.703 -2.349 1.00 0.62 H new ATOM 0 HG22 THR A 12 -11.505 -2.742 -1.596 1.00 0.62 H new ATOM 0 HG23 THR A 12 -13.210 -2.364 -1.251 1.00 0.62 H new ATOM 185 N ILE A 13 -10.693 -0.230 -0.810 1.00 0.39 N ATOM 186 CA ILE A 13 -9.431 -0.193 -0.090 1.00 0.38 C ATOM 187 C ILE A 13 -9.045 -1.584 0.391 1.00 0.37 C ATOM 188 O ILE A 13 -9.834 -2.272 1.038 1.00 0.51 O ATOM 189 CB ILE A 13 -9.492 0.767 1.118 1.00 0.50 C ATOM 190 CG1 ILE A 13 -9.791 2.191 0.650 1.00 0.86 C ATOM 191 CG2 ILE A 13 -8.190 0.724 1.909 1.00 0.80 C ATOM 192 CD1 ILE A 13 -9.882 3.193 1.781 1.00 1.03 C ATOM 0 H ILE A 13 -11.519 -0.171 -0.215 1.00 0.39 H new ATOM 0 HA ILE A 13 -8.676 0.174 -0.786 1.00 0.38 H new ATOM 0 HB ILE A 13 -10.298 0.442 1.776 1.00 0.50 H new ATOM 0 HG12 ILE A 13 -9.012 2.508 -0.043 1.00 0.86 H new ATOM 0 HG13 ILE A 13 -10.730 2.193 0.097 1.00 0.86 H new ATOM 0 HG21 ILE A 13 -8.256 1.408 2.755 1.00 0.80 H new ATOM 0 HG22 ILE A 13 -8.019 -0.289 2.274 1.00 0.80 H new ATOM 0 HG23 ILE A 13 -7.363 1.022 1.265 1.00 0.80 H new ATOM 0 HD11 ILE A 13 -10.096 4.182 1.375 1.00 1.03 H new ATOM 0 HD12 ILE A 13 -10.680 2.900 2.463 1.00 1.03 H new ATOM 0 HD13 ILE A 13 -8.935 3.220 2.320 1.00 1.03 H new ATOM 204 N MET A 14 -7.832 -1.988 0.062 1.00 0.31 N ATOM 205 CA MET A 14 -7.306 -3.290 0.472 1.00 0.35 C ATOM 206 C MET A 14 -5.958 -3.139 1.160 1.00 0.29 C ATOM 207 O MET A 14 -5.400 -2.049 1.211 1.00 0.46 O ATOM 208 CB MET A 14 -7.131 -4.214 -0.734 1.00 0.56 C ATOM 209 CG MET A 14 -8.427 -4.666 -1.381 1.00 0.75 C ATOM 210 SD MET A 14 -8.124 -5.733 -2.803 1.00 1.04 S ATOM 211 CE MET A 14 -9.764 -6.370 -3.110 1.00 0.77 C ATOM 0 H MET A 14 -7.182 -1.432 -0.493 1.00 0.31 H new ATOM 0 HA MET A 14 -8.027 -3.723 1.165 1.00 0.35 H new ATOM 0 HB2 MET A 14 -6.527 -3.701 -1.482 1.00 0.56 H new ATOM 0 HB3 MET A 14 -6.571 -5.095 -0.421 1.00 0.56 H new ATOM 0 HG2 MET A 14 -9.033 -5.199 -0.648 1.00 0.75 H new ATOM 0 HG3 MET A 14 -9.000 -3.794 -1.696 1.00 0.75 H new ATOM 0 HE1 MET A 14 -9.693 -7.312 -3.654 1.00 0.77 H new ATOM 0 HE2 MET A 14 -10.273 -6.537 -2.161 1.00 0.77 H new ATOM 0 HE3 MET A 14 -10.329 -5.651 -3.703 1.00 0.77 H new ATOM 221 N GLY A 15 -5.450 -4.238 1.701 1.00 0.34 N ATOM 222 CA GLY A 15 -4.114 -4.273 2.235 1.00 0.45 C ATOM 223 C GLY A 15 -4.001 -5.297 3.334 1.00 0.62 C ATOM 224 O GLY A 15 -3.992 -6.497 3.081 1.00 1.55 O ATOM 0 H GLY A 15 -5.956 -5.120 1.777 1.00 0.34 H new ATOM 0 HA2 GLY A 15 -3.406 -4.507 1.440 1.00 0.45 H new ATOM 0 HA3 GLY A 15 -3.846 -3.289 2.620 1.00 0.45 H new ATOM 228 N HIS A 16 -3.952 -4.812 4.549 1.00 0.51 N ATOM 229 CA HIS A 16 -3.851 -5.648 5.732 1.00 0.45 C ATOM 230 C HIS A 16 -4.152 -4.805 6.973 1.00 0.49 C ATOM 231 O HIS A 16 -3.791 -3.628 7.044 1.00 0.64 O ATOM 232 CB HIS A 16 -2.454 -6.278 5.810 1.00 0.43 C ATOM 233 CG HIS A 16 -2.198 -7.063 7.063 1.00 0.48 C ATOM 234 ND1 HIS A 16 -2.687 -8.333 7.224 1.00 0.62 N ATOM 235 CD2 HIS A 16 -1.516 -6.709 8.177 1.00 0.50 C ATOM 236 CE1 HIS A 16 -2.300 -8.721 8.427 1.00 0.66 C ATOM 237 NE2 HIS A 16 -1.590 -7.768 9.044 1.00 0.59 N ATOM 0 H HIS A 16 -3.981 -3.813 4.753 1.00 0.51 H new ATOM 0 HA HIS A 16 -4.579 -6.457 5.679 1.00 0.45 H new ATOM 0 HB2 HIS A 16 -2.316 -6.934 4.950 1.00 0.43 H new ATOM 0 HB3 HIS A 16 -1.707 -5.488 5.732 1.00 0.43 H new ATOM 0 HD2 HIS A 16 -1.010 -5.771 8.350 1.00 0.50 H new ATOM 0 HE1 HIS A 16 -2.528 -9.685 8.858 1.00 0.66 H new ATOM 0 HE2 HIS A 16 -1.183 -7.820 9.978 1.00 0.59 H new ATOM 245 N VAL A 17 -4.822 -5.424 7.939 1.00 0.53 N ATOM 246 CA VAL A 17 -5.374 -4.729 9.103 1.00 0.67 C ATOM 247 C VAL A 17 -4.328 -3.996 9.952 1.00 0.64 C ATOM 248 O VAL A 17 -4.664 -3.037 10.642 1.00 0.78 O ATOM 249 CB VAL A 17 -6.147 -5.710 10.013 1.00 0.87 C ATOM 250 CG1 VAL A 17 -7.353 -6.276 9.283 1.00 1.55 C ATOM 251 CG2 VAL A 17 -5.240 -6.833 10.499 1.00 1.62 C ATOM 0 H VAL A 17 -5.000 -6.428 7.939 1.00 0.53 H new ATOM 0 HA VAL A 17 -6.042 -3.974 8.688 1.00 0.67 H new ATOM 0 HB VAL A 17 -6.498 -5.158 10.885 1.00 0.87 H new ATOM 0 HG11 VAL A 17 -7.885 -6.965 9.939 1.00 1.55 H new ATOM 0 HG12 VAL A 17 -8.018 -5.462 8.994 1.00 1.55 H new ATOM 0 HG13 VAL A 17 -7.022 -6.808 8.391 1.00 1.55 H new ATOM 0 HG21 VAL A 17 -5.808 -7.509 11.137 1.00 1.62 H new ATOM 0 HG22 VAL A 17 -4.851 -7.383 9.642 1.00 1.62 H new ATOM 0 HG23 VAL A 17 -4.410 -6.411 11.066 1.00 1.62 H new ATOM 261 N ASP A 18 -3.077 -4.431 9.894 1.00 0.57 N ATOM 262 CA ASP A 18 -2.043 -3.887 10.781 1.00 0.61 C ATOM 263 C ASP A 18 -1.360 -2.657 10.197 1.00 0.56 C ATOM 264 O ASP A 18 -0.640 -1.951 10.906 1.00 0.69 O ATOM 265 CB ASP A 18 -0.984 -4.946 11.098 1.00 0.69 C ATOM 266 CG ASP A 18 -1.474 -6.001 12.070 1.00 1.06 C ATOM 267 OD1 ASP A 18 -1.663 -5.674 13.264 1.00 1.17 O ATOM 268 OD2 ASP A 18 -1.651 -7.165 11.654 1.00 1.78 O ATOM 0 H ASP A 18 -2.750 -5.152 9.251 1.00 0.57 H new ATOM 0 HA ASP A 18 -2.553 -3.588 11.697 1.00 0.61 H new ATOM 0 HB2 ASP A 18 -0.673 -5.429 10.172 1.00 0.69 H new ATOM 0 HB3 ASP A 18 -0.103 -4.458 11.514 1.00 0.69 H new ATOM 273 N HIS A 19 -1.589 -2.384 8.917 1.00 0.46 N ATOM 274 CA HIS A 19 -0.894 -1.296 8.233 1.00 0.48 C ATOM 275 C HIS A 19 -1.477 0.073 8.586 1.00 0.58 C ATOM 276 O HIS A 19 -0.961 1.109 8.161 1.00 0.65 O ATOM 277 CB HIS A 19 -0.922 -1.521 6.721 1.00 0.46 C ATOM 278 CG HIS A 19 -0.027 -2.638 6.274 1.00 0.40 C ATOM 279 ND1 HIS A 19 -0.433 -3.563 5.344 1.00 0.60 N ATOM 280 CD2 HIS A 19 1.247 -2.913 6.645 1.00 0.56 C ATOM 281 CE1 HIS A 19 0.597 -4.374 5.169 1.00 0.53 C ATOM 282 NE2 HIS A 19 1.635 -4.020 5.937 1.00 0.48 N ATOM 0 H HIS A 19 -2.248 -2.898 8.333 1.00 0.46 H new ATOM 0 HA HIS A 19 0.141 -1.300 8.576 1.00 0.48 H new ATOM 0 HB2 HIS A 19 -1.944 -1.737 6.411 1.00 0.46 H new ATOM 0 HB3 HIS A 19 -0.624 -0.601 6.218 1.00 0.46 H new ATOM 0 HD2 HIS A 19 1.842 -2.365 7.361 1.00 0.56 H new ATOM 0 HE1 HIS A 19 0.600 -5.216 4.492 1.00 0.53 H new ATOM 0 HE2 HIS A 19 2.541 -4.485 5.986 1.00 0.48 H new ATOM 290 N GLY A 20 -2.540 0.075 9.374 1.00 0.76 N ATOM 291 CA GLY A 20 -3.119 1.323 9.831 1.00 0.90 C ATOM 292 C GLY A 20 -4.304 1.758 8.998 1.00 0.81 C ATOM 293 O GLY A 20 -4.268 2.804 8.351 1.00 0.93 O ATOM 0 H GLY A 20 -3.014 -0.765 9.706 1.00 0.76 H new ATOM 0 HA2 GLY A 20 -3.431 1.215 10.870 1.00 0.90 H new ATOM 0 HA3 GLY A 20 -2.357 2.102 9.806 1.00 0.90 H new ATOM 297 N LYS A 21 -5.368 0.972 9.033 1.00 0.79 N ATOM 298 CA LYS A 21 -6.546 1.267 8.231 1.00 0.87 C ATOM 299 C LYS A 21 -7.487 2.207 8.974 1.00 0.89 C ATOM 300 O LYS A 21 -8.125 3.064 8.366 1.00 0.93 O ATOM 301 CB LYS A 21 -7.285 -0.012 7.831 1.00 1.09 C ATOM 302 CG LYS A 21 -7.681 -0.904 8.998 1.00 1.20 C ATOM 303 CD LYS A 21 -8.598 -2.028 8.543 1.00 1.39 C ATOM 304 CE LYS A 21 -8.814 -3.062 9.637 1.00 1.73 C ATOM 305 NZ LYS A 21 -9.378 -2.474 10.884 1.00 2.11 N ATOM 0 H LYS A 21 -5.441 0.130 9.604 1.00 0.79 H new ATOM 0 HA LYS A 21 -6.205 1.760 7.321 1.00 0.87 H new ATOM 0 HB2 LYS A 21 -8.184 0.261 7.278 1.00 1.09 H new ATOM 0 HB3 LYS A 21 -6.653 -0.584 7.151 1.00 1.09 H new ATOM 0 HG2 LYS A 21 -6.787 -1.324 9.458 1.00 1.20 H new ATOM 0 HG3 LYS A 21 -8.182 -0.308 9.761 1.00 1.20 H new ATOM 0 HD2 LYS A 21 -9.559 -1.612 8.241 1.00 1.39 H new ATOM 0 HD3 LYS A 21 -8.171 -2.512 7.665 1.00 1.39 H new ATOM 0 HE2 LYS A 21 -9.486 -3.837 9.270 1.00 1.73 H new ATOM 0 HE3 LYS A 21 -7.864 -3.546 9.866 1.00 1.73 H new ATOM 0 HZ1 LYS A 21 -9.552 -3.230 11.577 1.00 2.11 H new ATOM 0 HZ2 LYS A 21 -8.703 -1.789 11.281 1.00 2.11 H new ATOM 0 HZ3 LYS A 21 -10.273 -1.991 10.666 1.00 2.11 H new ATOM 319 N THR A 22 -7.556 2.061 10.288 1.00 0.92 N ATOM 320 CA THR A 22 -8.429 2.899 11.093 1.00 1.00 C ATOM 321 C THR A 22 -7.903 4.332 11.136 1.00 0.99 C ATOM 322 O THR A 22 -8.673 5.277 11.285 1.00 1.03 O ATOM 323 CB THR A 22 -8.587 2.343 12.527 1.00 1.10 C ATOM 324 OG1 THR A 22 -9.550 3.117 13.256 1.00 1.80 O ATOM 325 CG2 THR A 22 -7.256 2.343 13.269 1.00 1.65 C ATOM 0 H THR A 22 -7.020 1.373 10.817 1.00 0.92 H new ATOM 0 HA THR A 22 -9.413 2.896 10.624 1.00 1.00 H new ATOM 0 HB THR A 22 -8.936 1.313 12.450 1.00 1.10 H new ATOM 0 HG1 THR A 22 -9.643 2.755 14.162 1.00 1.80 H new ATOM 0 HG21 THR A 22 -7.400 1.947 14.274 1.00 1.65 H new ATOM 0 HG22 THR A 22 -6.540 1.720 12.732 1.00 1.65 H new ATOM 0 HG23 THR A 22 -6.875 3.362 13.332 1.00 1.65 H new ATOM 333 N THR A 23 -6.594 4.485 10.989 1.00 0.99 N ATOM 334 CA THR A 23 -5.980 5.799 10.939 1.00 1.02 C ATOM 335 C THR A 23 -6.166 6.427 9.562 1.00 0.96 C ATOM 336 O THR A 23 -6.292 7.647 9.433 1.00 0.96 O ATOM 337 CB THR A 23 -4.484 5.709 11.280 1.00 1.12 C ATOM 338 OG1 THR A 23 -3.944 4.495 10.741 1.00 1.77 O ATOM 339 CG2 THR A 23 -4.263 5.742 12.784 1.00 1.41 C ATOM 0 H THR A 23 -5.937 3.710 10.902 1.00 0.99 H new ATOM 0 HA THR A 23 -6.470 6.431 11.679 1.00 1.02 H new ATOM 0 HB THR A 23 -3.978 6.569 10.841 1.00 1.12 H new ATOM 0 HG1 THR A 23 -4.334 4.327 9.858 1.00 1.77 H new ATOM 0 HG21 THR A 23 -3.196 5.677 12.996 1.00 1.41 H new ATOM 0 HG22 THR A 23 -4.657 6.674 13.189 1.00 1.41 H new ATOM 0 HG23 THR A 23 -4.777 4.899 13.246 1.00 1.41 H new ATOM 347 N LEU A 24 -6.196 5.578 8.539 1.00 0.96 N ATOM 348 CA LEU A 24 -6.420 6.023 7.172 1.00 0.96 C ATOM 349 C LEU A 24 -7.866 6.493 7.037 1.00 0.89 C ATOM 350 O LEU A 24 -8.132 7.628 6.648 1.00 0.91 O ATOM 351 CB LEU A 24 -6.129 4.867 6.197 1.00 1.06 C ATOM 352 CG LEU A 24 -5.760 5.254 4.754 1.00 0.88 C ATOM 353 CD1 LEU A 24 -6.909 5.960 4.049 1.00 1.78 C ATOM 354 CD2 LEU A 24 -4.511 6.124 4.741 1.00 1.57 C ATOM 0 H LEU A 24 -6.067 4.571 8.635 1.00 0.96 H new ATOM 0 HA LEU A 24 -5.752 6.850 6.931 1.00 0.96 H new ATOM 0 HB2 LEU A 24 -5.313 4.272 6.609 1.00 1.06 H new ATOM 0 HB3 LEU A 24 -7.007 4.222 6.162 1.00 1.06 H new ATOM 0 HG LEU A 24 -5.555 4.334 4.207 1.00 0.88 H new ATOM 0 HD11 LEU A 24 -6.609 6.217 3.033 1.00 1.78 H new ATOM 0 HD12 LEU A 24 -7.776 5.300 4.016 1.00 1.78 H new ATOM 0 HD13 LEU A 24 -7.166 6.869 4.593 1.00 1.78 H new ATOM 0 HD21 LEU A 24 -4.263 6.389 3.713 1.00 1.57 H new ATOM 0 HD22 LEU A 24 -4.694 7.032 5.316 1.00 1.57 H new ATOM 0 HD23 LEU A 24 -3.680 5.575 5.184 1.00 1.57 H new ATOM 366 N LEU A 25 -8.784 5.607 7.410 1.00 0.88 N ATOM 367 CA LEU A 25 -10.222 5.863 7.333 1.00 0.91 C ATOM 368 C LEU A 25 -10.601 7.089 8.174 1.00 0.89 C ATOM 369 O LEU A 25 -11.504 7.838 7.824 1.00 0.92 O ATOM 370 CB LEU A 25 -10.971 4.627 7.859 1.00 1.02 C ATOM 371 CG LEU A 25 -12.219 4.197 7.079 1.00 1.21 C ATOM 372 CD1 LEU A 25 -13.276 5.288 7.081 1.00 1.76 C ATOM 373 CD2 LEU A 25 -11.841 3.805 5.659 1.00 1.96 C ATOM 0 H LEU A 25 -8.552 4.684 7.777 1.00 0.88 H new ATOM 0 HA LEU A 25 -10.496 6.060 6.297 1.00 0.91 H new ATOM 0 HB2 LEU A 25 -10.275 3.789 7.877 1.00 1.02 H new ATOM 0 HB3 LEU A 25 -11.264 4.820 8.891 1.00 1.02 H new ATOM 0 HG LEU A 25 -12.649 3.328 7.576 1.00 1.21 H new ATOM 0 HD11 LEU A 25 -14.148 4.951 6.520 1.00 1.76 H new ATOM 0 HD12 LEU A 25 -13.569 5.509 8.107 1.00 1.76 H new ATOM 0 HD13 LEU A 25 -12.871 6.188 6.617 1.00 1.76 H new ATOM 0 HD21 LEU A 25 -12.735 3.502 5.115 1.00 1.96 H new ATOM 0 HD22 LEU A 25 -11.382 4.656 5.156 1.00 1.96 H new ATOM 0 HD23 LEU A 25 -11.134 2.976 5.686 1.00 1.96 H new ATOM 385 N ASP A 26 -9.909 7.294 9.284 1.00 0.91 N ATOM 386 CA ASP A 26 -10.221 8.412 10.165 1.00 0.96 C ATOM 387 C ASP A 26 -9.802 9.739 9.548 1.00 0.92 C ATOM 388 O ASP A 26 -10.626 10.642 9.386 1.00 0.95 O ATOM 389 CB ASP A 26 -9.557 8.240 11.514 1.00 1.05 C ATOM 390 CG ASP A 26 -9.930 9.339 12.486 1.00 1.21 C ATOM 391 OD1 ASP A 26 -10.992 9.239 13.126 1.00 1.35 O ATOM 392 OD2 ASP A 26 -9.159 10.316 12.609 1.00 1.38 O ATOM 0 H ASP A 26 -9.135 6.708 9.596 1.00 0.91 H new ATOM 0 HA ASP A 26 -11.302 8.423 10.303 1.00 0.96 H new ATOM 0 HB2 ASP A 26 -9.840 7.275 11.935 1.00 1.05 H new ATOM 0 HB3 ASP A 26 -8.475 8.226 11.384 1.00 1.05 H new ATOM 397 N ALA A 27 -8.525 9.846 9.189 1.00 0.89 N ATOM 398 CA ALA A 27 -7.990 11.068 8.599 1.00 0.89 C ATOM 399 C ALA A 27 -8.714 11.409 7.313 1.00 0.85 C ATOM 400 O ALA A 27 -9.004 12.571 7.039 1.00 0.90 O ATOM 401 CB ALA A 27 -6.506 10.922 8.314 1.00 0.91 C ATOM 0 H ALA A 27 -7.840 9.098 9.297 1.00 0.89 H new ATOM 0 HA ALA A 27 -8.141 11.874 9.318 1.00 0.89 H new ATOM 0 HB1 ALA A 27 -6.127 11.845 7.874 1.00 0.91 H new ATOM 0 HB2 ALA A 27 -5.975 10.719 9.244 1.00 0.91 H new ATOM 0 HB3 ALA A 27 -6.348 10.097 7.619 1.00 0.91 H new ATOM 407 N ILE A 28 -9.009 10.383 6.538 1.00 0.82 N ATOM 408 CA ILE A 28 -9.628 10.547 5.238 1.00 0.83 C ATOM 409 C ILE A 28 -11.050 11.110 5.366 1.00 0.88 C ATOM 410 O ILE A 28 -11.532 11.811 4.479 1.00 0.94 O ATOM 411 CB ILE A 28 -9.626 9.198 4.494 1.00 0.86 C ATOM 412 CG1 ILE A 28 -9.698 9.392 2.985 1.00 0.99 C ATOM 413 CG2 ILE A 28 -10.773 8.323 4.960 1.00 1.56 C ATOM 414 CD1 ILE A 28 -9.368 8.124 2.237 1.00 0.95 C ATOM 0 H ILE A 28 -8.826 9.412 6.793 1.00 0.82 H new ATOM 0 HA ILE A 28 -9.050 11.269 4.661 1.00 0.83 H new ATOM 0 HB ILE A 28 -8.685 8.700 4.728 1.00 0.86 H new ATOM 0 HG12 ILE A 28 -10.698 9.726 2.709 1.00 0.99 H new ATOM 0 HG13 ILE A 28 -9.006 10.180 2.687 1.00 0.99 H new ATOM 0 HG21 ILE A 28 -10.751 7.376 4.421 1.00 1.56 H new ATOM 0 HG22 ILE A 28 -10.675 8.134 6.029 1.00 1.56 H new ATOM 0 HG23 ILE A 28 -11.719 8.829 4.766 1.00 1.56 H new ATOM 0 HD11 ILE A 28 -9.431 8.307 1.164 1.00 0.95 H new ATOM 0 HD12 ILE A 28 -8.358 7.804 2.491 1.00 0.95 H new ATOM 0 HD13 ILE A 28 -10.076 7.343 2.514 1.00 0.95 H new ATOM 426 N ARG A 29 -11.710 10.816 6.488 1.00 0.93 N ATOM 427 CA ARG A 29 -13.022 11.388 6.766 1.00 1.04 C ATOM 428 C ARG A 29 -12.860 12.822 7.228 1.00 1.08 C ATOM 429 O ARG A 29 -13.745 13.653 7.064 1.00 1.17 O ATOM 430 CB ARG A 29 -13.756 10.598 7.845 1.00 1.16 C ATOM 431 CG ARG A 29 -14.071 9.178 7.436 1.00 1.33 C ATOM 432 CD ARG A 29 -14.784 8.422 8.545 1.00 1.58 C ATOM 433 NE ARG A 29 -13.930 8.246 9.722 1.00 2.13 N ATOM 434 CZ ARG A 29 -14.386 7.948 10.939 1.00 2.85 C ATOM 435 NH1 ARG A 29 -15.686 7.805 11.155 1.00 3.29 N ATOM 436 NH2 ARG A 29 -13.539 7.797 11.952 1.00 3.56 N ATOM 0 H ARG A 29 -11.358 10.190 7.212 1.00 0.93 H new ATOM 0 HA ARG A 29 -13.609 11.348 5.848 1.00 1.04 H new ATOM 0 HB2 ARG A 29 -13.149 10.582 8.750 1.00 1.16 H new ATOM 0 HB3 ARG A 29 -14.685 11.112 8.093 1.00 1.16 H new ATOM 0 HG2 ARG A 29 -14.694 9.186 6.541 1.00 1.33 H new ATOM 0 HG3 ARG A 29 -13.148 8.660 7.177 1.00 1.33 H new ATOM 0 HD2 ARG A 29 -15.688 8.961 8.829 1.00 1.58 H new ATOM 0 HD3 ARG A 29 -15.098 7.446 8.175 1.00 1.58 H new ATOM 0 HE ARG A 29 -12.923 8.358 9.603 1.00 2.13 H new ATOM 0 HH11 ARG A 29 -16.347 7.923 10.387 1.00 3.29 H new ATOM 0 HH12 ARG A 29 -16.026 7.577 12.089 1.00 3.29 H new ATOM 0 HH21 ARG A 29 -12.537 7.909 11.800 1.00 3.56 H new ATOM 0 HH22 ARG A 29 -13.891 7.569 12.882 1.00 3.56 H new ATOM 450 N HIS A 30 -11.701 13.092 7.805 1.00 1.05 N ATOM 451 CA HIS A 30 -11.354 14.420 8.274 1.00 1.13 C ATOM 452 C HIS A 30 -10.763 15.239 7.135 1.00 1.15 C ATOM 453 O HIS A 30 -10.125 16.268 7.351 1.00 1.32 O ATOM 454 CB HIS A 30 -10.373 14.323 9.428 1.00 1.23 C ATOM 455 CG HIS A 30 -10.951 13.736 10.666 1.00 1.70 C ATOM 456 ND1 HIS A 30 -10.201 13.337 11.750 1.00 2.44 N ATOM 457 CD2 HIS A 30 -12.226 13.475 10.974 1.00 2.01 C ATOM 458 CE1 HIS A 30 -11.006 12.852 12.679 1.00 2.88 C ATOM 459 NE2 HIS A 30 -12.246 12.925 12.232 1.00 2.60 N ATOM 0 H HIS A 30 -10.974 12.394 7.961 1.00 1.05 H new ATOM 0 HA HIS A 30 -12.256 14.920 8.627 1.00 1.13 H new ATOM 0 HB2 HIS A 30 -9.520 13.720 9.116 1.00 1.23 H new ATOM 0 HB3 HIS A 30 -9.994 15.320 9.654 1.00 1.23 H new ATOM 0 HD2 HIS A 30 -13.085 13.663 10.347 1.00 2.01 H new ATOM 0 HE1 HIS A 30 -10.702 12.463 13.639 1.00 2.88 H new ATOM 0 HE2 HIS A 30 -13.079 12.623 12.737 1.00 2.60 H new ATOM 468 N SER A 31 -10.957 14.752 5.917 1.00 1.07 N ATOM 469 CA SER A 31 -10.466 15.436 4.732 1.00 1.19 C ATOM 470 C SER A 31 -11.576 16.230 4.034 1.00 1.32 C ATOM 471 O SER A 31 -11.485 16.511 2.836 1.00 1.76 O ATOM 472 CB SER A 31 -9.816 14.430 3.776 1.00 1.15 C ATOM 473 OG SER A 31 -8.475 14.169 4.151 1.00 1.50 O ATOM 0 H SER A 31 -11.453 13.882 5.725 1.00 1.07 H new ATOM 0 HA SER A 31 -9.711 16.157 5.045 1.00 1.19 H new ATOM 0 HB2 SER A 31 -10.386 13.501 3.778 1.00 1.15 H new ATOM 0 HB3 SER A 31 -9.844 14.819 2.758 1.00 1.15 H new ATOM 0 HG SER A 31 -8.081 13.523 3.528 1.00 1.50 H new ATOM 706 N TYR A 48 -17.566 6.142 3.024 1.00 1.05 N ATOM 707 CA TYR A 48 -17.578 7.558 2.709 1.00 1.04 C ATOM 708 C TYR A 48 -17.411 7.789 1.218 1.00 0.91 C ATOM 709 O TYR A 48 -16.612 7.123 0.555 1.00 0.86 O ATOM 710 CB TYR A 48 -16.488 8.292 3.497 1.00 1.16 C ATOM 711 CG TYR A 48 -15.116 7.688 3.332 1.00 1.12 C ATOM 712 CD1 TYR A 48 -14.807 6.474 3.920 1.00 1.34 C ATOM 713 CD2 TYR A 48 -14.145 8.319 2.577 1.00 1.31 C ATOM 714 CE1 TYR A 48 -13.570 5.905 3.766 1.00 1.77 C ATOM 715 CE2 TYR A 48 -12.901 7.754 2.415 1.00 1.73 C ATOM 716 CZ TYR A 48 -12.621 6.540 3.009 1.00 1.96 C ATOM 717 OH TYR A 48 -11.387 5.959 2.850 1.00 2.54 O ATOM 0 HA TYR A 48 -18.547 7.961 3.002 1.00 1.04 H new ATOM 0 HB2 TYR A 48 -16.459 9.334 3.177 1.00 1.16 H new ATOM 0 HB3 TYR A 48 -16.752 8.291 4.555 1.00 1.16 H new ATOM 0 HD1 TYR A 48 -15.554 5.966 4.511 1.00 1.34 H new ATOM 0 HD2 TYR A 48 -14.366 9.267 2.109 1.00 1.31 H new ATOM 0 HE1 TYR A 48 -13.344 4.961 4.239 1.00 1.77 H new ATOM 0 HE2 TYR A 48 -12.148 8.257 1.827 1.00 1.73 H new ATOM 0 HH TYR A 48 -11.191 5.864 1.895 1.00 2.54 H new ATOM 727 N GLN A 49 -18.191 8.716 0.694 1.00 1.01 N ATOM 728 CA GLN A 49 -18.106 9.094 -0.705 1.00 1.00 C ATOM 729 C GLN A 49 -17.511 10.490 -0.813 1.00 1.11 C ATOM 730 O GLN A 49 -17.894 11.396 -0.067 1.00 1.34 O ATOM 731 CB GLN A 49 -19.491 9.047 -1.357 1.00 1.16 C ATOM 732 CG GLN A 49 -20.197 7.713 -1.163 1.00 1.18 C ATOM 733 CD GLN A 49 -21.554 7.643 -1.840 1.00 1.42 C ATOM 734 OE1 GLN A 49 -22.006 6.570 -2.242 1.00 1.80 O ATOM 735 NE2 GLN A 49 -22.213 8.780 -1.978 1.00 1.96 N ATOM 0 H GLN A 49 -18.898 9.226 1.223 1.00 1.01 H new ATOM 0 HA GLN A 49 -17.462 8.389 -1.231 1.00 1.00 H new ATOM 0 HB2 GLN A 49 -20.109 9.842 -0.941 1.00 1.16 H new ATOM 0 HB3 GLN A 49 -19.391 9.247 -2.424 1.00 1.16 H new ATOM 0 HG2 GLN A 49 -19.564 6.916 -1.552 1.00 1.18 H new ATOM 0 HG3 GLN A 49 -20.322 7.529 -0.096 1.00 1.18 H new ATOM 0 HE21 GLN A 49 -21.807 9.650 -1.633 1.00 1.96 H new ATOM 0 HE22 GLN A 49 -23.127 8.788 -2.430 1.00 1.96 H new ATOM 744 N VAL A 50 -16.562 10.652 -1.721 1.00 1.04 N ATOM 745 CA VAL A 50 -15.882 11.925 -1.896 1.00 1.18 C ATOM 746 C VAL A 50 -16.625 12.793 -2.882 1.00 1.28 C ATOM 747 O VAL A 50 -17.259 12.309 -3.818 1.00 1.38 O ATOM 748 CB VAL A 50 -14.431 11.736 -2.376 1.00 1.24 C ATOM 749 CG1 VAL A 50 -13.743 13.063 -2.672 1.00 1.93 C ATOM 750 CG2 VAL A 50 -13.647 10.963 -1.340 1.00 1.59 C ATOM 0 H VAL A 50 -16.244 9.915 -2.350 1.00 1.04 H new ATOM 0 HA VAL A 50 -15.861 12.413 -0.922 1.00 1.18 H new ATOM 0 HB VAL A 50 -14.463 11.175 -3.310 1.00 1.24 H new ATOM 0 HG11 VAL A 50 -12.723 12.877 -3.007 1.00 1.93 H new ATOM 0 HG12 VAL A 50 -14.291 13.591 -3.453 1.00 1.93 H new ATOM 0 HG13 VAL A 50 -13.723 13.672 -1.768 1.00 1.93 H new ATOM 0 HG21 VAL A 50 -12.621 10.832 -1.684 1.00 1.59 H new ATOM 0 HG22 VAL A 50 -13.647 11.513 -0.399 1.00 1.59 H new ATOM 0 HG23 VAL A 50 -14.107 9.986 -1.189 1.00 1.59 H new ATOM 860 N ILE A 57 -16.177 9.326 -6.473 1.00 1.14 N ATOM 861 CA ILE A 57 -15.381 8.340 -5.757 1.00 0.88 C ATOM 862 C ILE A 57 -16.108 7.843 -4.515 1.00 0.85 C ATOM 863 O ILE A 57 -16.321 8.593 -3.563 1.00 0.97 O ATOM 864 CB ILE A 57 -14.001 8.874 -5.323 1.00 0.80 C ATOM 865 CG1 ILE A 57 -13.216 9.431 -6.514 1.00 0.86 C ATOM 866 CG2 ILE A 57 -13.216 7.756 -4.652 1.00 0.87 C ATOM 867 CD1 ILE A 57 -11.882 10.042 -6.123 1.00 0.86 C ATOM 0 HA ILE A 57 -15.230 7.525 -6.465 1.00 0.88 H new ATOM 0 HB ILE A 57 -14.153 9.691 -4.618 1.00 0.80 H new ATOM 0 HG12 ILE A 57 -13.044 8.630 -7.233 1.00 0.86 H new ATOM 0 HG13 ILE A 57 -13.820 10.186 -7.017 1.00 0.86 H new ATOM 0 HG21 ILE A 57 -12.240 8.131 -4.344 1.00 0.87 H new ATOM 0 HG22 ILE A 57 -13.762 7.403 -3.777 1.00 0.87 H new ATOM 0 HG23 ILE A 57 -13.084 6.932 -5.354 1.00 0.87 H new ATOM 0 HD11 ILE A 57 -11.378 10.417 -7.014 1.00 0.86 H new ATOM 0 HD12 ILE A 57 -12.048 10.864 -5.427 1.00 0.86 H new ATOM 0 HD13 ILE A 57 -11.260 9.284 -5.647 1.00 0.86 H new ATOM 879 N THR A 58 -16.494 6.583 -4.544 1.00 0.80 N ATOM 880 CA THR A 58 -17.026 5.923 -3.371 1.00 0.80 C ATOM 881 C THR A 58 -15.961 4.994 -2.799 1.00 0.73 C ATOM 882 O THR A 58 -15.373 4.198 -3.531 1.00 0.85 O ATOM 883 CB THR A 58 -18.290 5.113 -3.713 1.00 0.88 C ATOM 884 OG1 THR A 58 -19.200 5.932 -4.466 1.00 1.11 O ATOM 885 CG2 THR A 58 -18.976 4.614 -2.447 1.00 1.28 C ATOM 0 H THR A 58 -16.448 5.993 -5.375 1.00 0.80 H new ATOM 0 HA THR A 58 -17.300 6.681 -2.637 1.00 0.80 H new ATOM 0 HB THR A 58 -17.995 4.249 -4.308 1.00 0.88 H new ATOM 0 HG1 THR A 58 -20.003 5.414 -4.684 1.00 1.11 H new ATOM 0 HG21 THR A 58 -19.866 4.045 -2.716 1.00 1.28 H new ATOM 0 HG22 THR A 58 -18.291 3.975 -1.890 1.00 1.28 H new ATOM 0 HG23 THR A 58 -19.262 5.465 -1.829 1.00 1.28 H new ATOM 893 N PHE A 59 -15.681 5.123 -1.510 1.00 0.65 N ATOM 894 CA PHE A 59 -14.675 4.286 -0.875 1.00 0.64 C ATOM 895 C PHE A 59 -15.319 3.103 -0.171 1.00 0.73 C ATOM 896 O PHE A 59 -16.228 3.283 0.639 1.00 0.83 O ATOM 897 CB PHE A 59 -13.847 5.089 0.130 1.00 0.64 C ATOM 898 CG PHE A 59 -12.761 5.927 -0.483 1.00 0.60 C ATOM 899 CD1 PHE A 59 -13.051 7.176 -1.010 1.00 0.80 C ATOM 900 CD2 PHE A 59 -11.457 5.465 -0.554 1.00 0.75 C ATOM 901 CE1 PHE A 59 -12.065 7.948 -1.591 1.00 0.84 C ATOM 902 CE2 PHE A 59 -10.467 6.234 -1.137 1.00 0.79 C ATOM 903 CZ PHE A 59 -10.729 7.478 -1.581 1.00 0.70 C ATOM 0 H PHE A 59 -16.132 5.794 -0.888 1.00 0.65 H new ATOM 0 HA PHE A 59 -14.016 3.916 -1.660 1.00 0.64 H new ATOM 0 HB2 PHE A 59 -14.515 5.740 0.694 1.00 0.64 H new ATOM 0 HB3 PHE A 59 -13.397 4.399 0.844 1.00 0.64 H new ATOM 0 HD1 PHE A 59 -14.063 7.551 -0.965 1.00 0.80 H new ATOM 0 HD2 PHE A 59 -11.211 4.494 -0.150 1.00 0.75 H new ATOM 0 HE1 PHE A 59 -12.309 8.896 -2.046 1.00 0.84 H new ATOM 0 HE2 PHE A 59 -9.470 5.832 -1.238 1.00 0.79 H new ATOM 0 HZ PHE A 59 -9.926 8.113 -1.927 1.00 0.70 H new ATOM 1221 N ILE A 81 -11.230 0.628 -8.363 1.00 0.74 N ATOM 1222 CA ILE A 81 -9.903 1.122 -8.066 1.00 0.55 C ATOM 1223 C ILE A 81 -9.334 0.376 -6.872 1.00 0.47 C ATOM 1224 O ILE A 81 -9.709 0.647 -5.728 1.00 0.63 O ATOM 1225 CB ILE A 81 -9.949 2.640 -7.783 1.00 0.63 C ATOM 1226 CG1 ILE A 81 -10.382 3.385 -9.042 1.00 0.72 C ATOM 1227 CG2 ILE A 81 -8.611 3.164 -7.292 1.00 0.67 C ATOM 1228 CD1 ILE A 81 -9.473 3.128 -10.218 1.00 0.73 C ATOM 0 HA ILE A 81 -9.258 0.953 -8.928 1.00 0.55 H new ATOM 0 HB ILE A 81 -10.676 2.813 -6.989 1.00 0.63 H new ATOM 0 HG12 ILE A 81 -11.398 3.088 -9.303 1.00 0.72 H new ATOM 0 HG13 ILE A 81 -10.406 4.455 -8.835 1.00 0.72 H new ATOM 0 HG21 ILE A 81 -8.686 4.235 -7.105 1.00 0.67 H new ATOM 0 HG22 ILE A 81 -8.336 2.653 -6.369 1.00 0.67 H new ATOM 0 HG23 ILE A 81 -7.848 2.981 -8.049 1.00 0.67 H new ATOM 0 HD11 ILE A 81 -9.832 3.685 -11.084 1.00 0.73 H new ATOM 0 HD12 ILE A 81 -8.461 3.451 -9.973 1.00 0.73 H new ATOM 0 HD13 ILE A 81 -9.468 2.063 -10.448 1.00 0.73 H new ATOM 1240 N VAL A 82 -8.428 -0.563 -7.131 1.00 0.32 N ATOM 1241 CA VAL A 82 -7.919 -1.397 -6.071 1.00 0.30 C ATOM 1242 C VAL A 82 -6.816 -0.689 -5.316 1.00 0.25 C ATOM 1243 O VAL A 82 -5.653 -0.712 -5.722 1.00 0.28 O ATOM 1244 CB VAL A 82 -7.391 -2.734 -6.609 1.00 0.39 C ATOM 1245 CG1 VAL A 82 -6.807 -3.550 -5.475 1.00 0.97 C ATOM 1246 CG2 VAL A 82 -8.499 -3.501 -7.307 1.00 1.19 C ATOM 0 H VAL A 82 -8.042 -0.756 -8.055 1.00 0.32 H new ATOM 0 HA VAL A 82 -8.749 -1.599 -5.395 1.00 0.30 H new ATOM 0 HB VAL A 82 -6.606 -2.536 -7.339 1.00 0.39 H new ATOM 0 HG11 VAL A 82 -6.434 -4.498 -5.863 1.00 0.97 H new ATOM 0 HG12 VAL A 82 -5.987 -2.999 -5.015 1.00 0.97 H new ATOM 0 HG13 VAL A 82 -7.579 -3.742 -4.730 1.00 0.97 H new ATOM 0 HG21 VAL A 82 -8.107 -4.446 -7.682 1.00 1.19 H new ATOM 0 HG22 VAL A 82 -9.306 -3.698 -6.601 1.00 1.19 H new ATOM 0 HG23 VAL A 82 -8.881 -2.911 -8.140 1.00 1.19 H new ATOM 1256 N ILE A 83 -7.177 -0.045 -4.228 1.00 0.25 N ATOM 1257 CA ILE A 83 -6.194 0.611 -3.398 1.00 0.25 C ATOM 1258 C ILE A 83 -5.534 -0.406 -2.508 1.00 0.27 C ATOM 1259 O ILE A 83 -6.062 -0.766 -1.462 1.00 0.45 O ATOM 1260 CB ILE A 83 -6.807 1.686 -2.494 1.00 0.34 C ATOM 1261 CG1 ILE A 83 -7.703 2.619 -3.287 1.00 0.48 C ATOM 1262 CG2 ILE A 83 -5.713 2.471 -1.777 1.00 0.84 C ATOM 1263 CD1 ILE A 83 -6.954 3.604 -4.154 1.00 1.32 C ATOM 0 H ILE A 83 -8.139 0.038 -3.900 1.00 0.25 H new ATOM 0 HA ILE A 83 -5.482 1.087 -4.072 1.00 0.25 H new ATOM 0 HB ILE A 83 -7.421 1.187 -1.745 1.00 0.34 H new ATOM 0 HG12 ILE A 83 -8.362 2.023 -3.919 1.00 0.48 H new ATOM 0 HG13 ILE A 83 -8.339 3.171 -2.594 1.00 0.48 H new ATOM 0 HG21 ILE A 83 -6.168 3.230 -1.140 1.00 0.84 H new ATOM 0 HG22 ILE A 83 -5.119 1.792 -1.165 1.00 0.84 H new ATOM 0 HG23 ILE A 83 -5.069 2.953 -2.513 1.00 0.84 H new ATOM 0 HD11 ILE A 83 -7.666 4.234 -4.687 1.00 1.32 H new ATOM 0 HD12 ILE A 83 -6.316 4.228 -3.528 1.00 1.32 H new ATOM 0 HD13 ILE A 83 -6.339 3.062 -4.873 1.00 1.32 H new ATOM 1275 N LEU A 84 -4.395 -0.866 -2.922 1.00 0.22 N ATOM 1276 CA LEU A 84 -3.659 -1.835 -2.148 1.00 0.27 C ATOM 1277 C LEU A 84 -2.762 -1.098 -1.149 1.00 0.27 C ATOM 1278 O LEU A 84 -1.672 -0.636 -1.487 1.00 0.31 O ATOM 1279 CB LEU A 84 -2.860 -2.750 -3.089 1.00 0.35 C ATOM 1280 CG LEU A 84 -2.209 -3.974 -2.448 1.00 0.49 C ATOM 1281 CD1 LEU A 84 -0.888 -3.598 -1.805 1.00 1.33 C ATOM 1282 CD2 LEU A 84 -3.151 -4.597 -1.429 1.00 1.33 C ATOM 0 H LEU A 84 -3.947 -0.589 -3.795 1.00 0.22 H new ATOM 0 HA LEU A 84 -4.338 -2.471 -1.581 1.00 0.27 H new ATOM 0 HB2 LEU A 84 -3.526 -3.092 -3.881 1.00 0.35 H new ATOM 0 HB3 LEU A 84 -2.079 -2.156 -3.563 1.00 0.35 H new ATOM 0 HG LEU A 84 -2.008 -4.711 -3.225 1.00 0.49 H new ATOM 0 HD11 LEU A 84 -0.438 -4.482 -1.353 1.00 1.33 H new ATOM 0 HD12 LEU A 84 -0.216 -3.196 -2.563 1.00 1.33 H new ATOM 0 HD13 LEU A 84 -1.059 -2.845 -1.036 1.00 1.33 H new ATOM 0 HD21 LEU A 84 -2.675 -5.469 -0.979 1.00 1.33 H new ATOM 0 HD22 LEU A 84 -3.381 -3.868 -0.652 1.00 1.33 H new ATOM 0 HD23 LEU A 84 -4.073 -4.902 -1.924 1.00 1.33 H new ATOM 1294 N VAL A 85 -3.247 -0.954 0.075 1.00 0.28 N ATOM 1295 CA VAL A 85 -2.527 -0.214 1.099 1.00 0.28 C ATOM 1296 C VAL A 85 -1.455 -1.074 1.750 1.00 0.27 C ATOM 1297 O VAL A 85 -1.665 -2.252 2.039 1.00 0.34 O ATOM 1298 CB VAL A 85 -3.475 0.328 2.192 1.00 0.32 C ATOM 1299 CG1 VAL A 85 -2.707 1.143 3.229 1.00 1.17 C ATOM 1300 CG2 VAL A 85 -4.584 1.168 1.576 1.00 1.20 C ATOM 0 H VAL A 85 -4.139 -1.341 0.383 1.00 0.28 H new ATOM 0 HA VAL A 85 -2.056 0.630 0.596 1.00 0.28 H new ATOM 0 HB VAL A 85 -3.926 -0.527 2.695 1.00 0.32 H new ATOM 0 HG11 VAL A 85 -3.398 1.512 3.986 1.00 1.17 H new ATOM 0 HG12 VAL A 85 -1.954 0.513 3.702 1.00 1.17 H new ATOM 0 HG13 VAL A 85 -2.220 1.987 2.740 1.00 1.17 H new ATOM 0 HG21 VAL A 85 -5.240 1.539 2.364 1.00 1.20 H new ATOM 0 HG22 VAL A 85 -4.147 2.011 1.040 1.00 1.20 H new ATOM 0 HG23 VAL A 85 -5.161 0.557 0.882 1.00 1.20 H new ATOM 1310 N VAL A 86 -0.305 -0.464 1.963 1.00 0.25 N ATOM 1311 CA VAL A 86 0.798 -1.089 2.660 1.00 0.27 C ATOM 1312 C VAL A 86 1.332 -0.113 3.692 1.00 0.24 C ATOM 1313 O VAL A 86 0.706 0.905 3.980 1.00 0.26 O ATOM 1314 CB VAL A 86 1.945 -1.487 1.700 1.00 0.36 C ATOM 1315 CG1 VAL A 86 1.488 -2.542 0.709 1.00 1.12 C ATOM 1316 CG2 VAL A 86 2.490 -0.272 0.962 1.00 0.95 C ATOM 0 H VAL A 86 -0.110 0.488 1.653 1.00 0.25 H new ATOM 0 HA VAL A 86 0.430 -2.001 3.130 1.00 0.27 H new ATOM 0 HB VAL A 86 2.747 -1.909 2.306 1.00 0.36 H new ATOM 0 HG11 VAL A 86 2.314 -2.802 0.048 1.00 1.12 H new ATOM 0 HG12 VAL A 86 1.162 -3.431 1.249 1.00 1.12 H new ATOM 0 HG13 VAL A 86 0.659 -2.152 0.118 1.00 1.12 H new ATOM 0 HG21 VAL A 86 3.294 -0.582 0.295 1.00 0.95 H new ATOM 0 HG22 VAL A 86 1.692 0.188 0.379 1.00 0.95 H new ATOM 0 HG23 VAL A 86 2.874 0.449 1.683 1.00 0.95 H new ATOM 1326 N ALA A 87 2.476 -0.415 4.250 1.00 0.28 N ATOM 1327 CA ALA A 87 3.137 0.520 5.128 1.00 0.32 C ATOM 1328 C ALA A 87 4.631 0.390 4.964 1.00 0.46 C ATOM 1329 O ALA A 87 5.167 -0.717 4.948 1.00 0.75 O ATOM 1330 CB ALA A 87 2.715 0.302 6.568 1.00 0.42 C ATOM 0 H ALA A 87 2.969 -1.297 4.114 1.00 0.28 H new ATOM 0 HA ALA A 87 2.843 1.535 4.859 1.00 0.32 H new ATOM 0 HB1 ALA A 87 3.227 1.019 7.210 1.00 0.42 H new ATOM 0 HB2 ALA A 87 1.637 0.441 6.656 1.00 0.42 H new ATOM 0 HB3 ALA A 87 2.977 -0.711 6.874 1.00 0.42 H new ATOM 1336 N ALA A 88 5.291 1.533 4.833 1.00 0.37 N ATOM 1337 CA ALA A 88 6.712 1.580 4.497 1.00 0.59 C ATOM 1338 C ALA A 88 7.570 0.844 5.507 1.00 0.53 C ATOM 1339 O ALA A 88 8.696 0.490 5.203 1.00 1.14 O ATOM 1340 CB ALA A 88 7.192 3.016 4.393 1.00 1.18 C ATOM 0 H ALA A 88 4.862 2.450 4.955 1.00 0.37 H new ATOM 0 HA ALA A 88 6.817 1.081 3.534 1.00 0.59 H new ATOM 0 HB1 ALA A 88 8.253 3.028 4.142 1.00 1.18 H new ATOM 0 HB2 ALA A 88 6.629 3.532 3.615 1.00 1.18 H new ATOM 0 HB3 ALA A 88 7.039 3.521 5.347 1.00 1.18 H new ATOM 1346 N ASP A 89 7.047 0.628 6.701 1.00 0.56 N ATOM 1347 CA ASP A 89 7.822 0.017 7.769 1.00 0.93 C ATOM 1348 C ASP A 89 7.654 -1.503 7.785 1.00 0.85 C ATOM 1349 O ASP A 89 8.400 -2.206 8.468 1.00 1.24 O ATOM 1350 CB ASP A 89 7.406 0.603 9.122 1.00 1.44 C ATOM 1351 CG ASP A 89 6.007 0.186 9.542 1.00 1.68 C ATOM 1352 OD1 ASP A 89 5.064 0.360 8.739 1.00 1.90 O ATOM 1353 OD2 ASP A 89 5.844 -0.316 10.672 1.00 2.01 O ATOM 0 H ASP A 89 6.089 0.866 6.957 1.00 0.56 H new ATOM 0 HA ASP A 89 8.874 0.237 7.586 1.00 0.93 H new ATOM 0 HB2 ASP A 89 8.118 0.286 9.884 1.00 1.44 H new ATOM 0 HB3 ASP A 89 7.456 1.691 9.072 1.00 1.44 H new ATOM 1358 N ASP A 90 6.674 -2.006 7.040 1.00 0.48 N ATOM 1359 CA ASP A 90 6.431 -3.449 6.976 1.00 0.46 C ATOM 1360 C ASP A 90 6.584 -3.962 5.557 1.00 0.45 C ATOM 1361 O ASP A 90 7.282 -4.944 5.302 1.00 0.69 O ATOM 1362 CB ASP A 90 5.025 -3.808 7.461 1.00 0.52 C ATOM 1363 CG ASP A 90 4.823 -5.305 7.524 1.00 0.74 C ATOM 1364 OD1 ASP A 90 5.336 -5.929 8.476 1.00 0.93 O ATOM 1365 OD2 ASP A 90 4.136 -5.858 6.636 1.00 1.09 O ATOM 0 H ASP A 90 6.038 -1.443 6.475 1.00 0.48 H new ATOM 0 HA ASP A 90 7.170 -3.916 7.627 1.00 0.46 H new ATOM 0 HB2 ASP A 90 4.859 -3.376 8.448 1.00 0.52 H new ATOM 0 HB3 ASP A 90 4.285 -3.368 6.792 1.00 0.52 H new ATOM 1370 N GLY A 91 5.925 -3.282 4.641 1.00 0.36 N ATOM 1371 CA GLY A 91 5.878 -3.727 3.273 1.00 0.36 C ATOM 1372 C GLY A 91 4.576 -4.425 2.970 1.00 0.35 C ATOM 1373 O GLY A 91 3.499 -3.868 3.191 1.00 0.52 O ATOM 0 H GLY A 91 5.415 -2.418 4.825 1.00 0.36 H new ATOM 0 HA2 GLY A 91 6.000 -2.874 2.606 1.00 0.36 H new ATOM 0 HA3 GLY A 91 6.710 -4.404 3.079 1.00 0.36 H new ATOM 1377 N VAL A 92 4.677 -5.642 2.484 1.00 0.38 N ATOM 1378 CA VAL A 92 3.525 -6.422 2.109 1.00 0.37 C ATOM 1379 C VAL A 92 3.340 -7.613 3.048 1.00 0.36 C ATOM 1380 O VAL A 92 4.177 -8.516 3.099 1.00 0.47 O ATOM 1381 CB VAL A 92 3.709 -6.909 0.664 1.00 0.47 C ATOM 1382 CG1 VAL A 92 2.722 -7.998 0.332 1.00 1.08 C ATOM 1383 CG2 VAL A 92 3.571 -5.752 -0.307 1.00 1.06 C ATOM 0 H VAL A 92 5.567 -6.119 2.338 1.00 0.38 H new ATOM 0 HA VAL A 92 2.632 -5.801 2.183 1.00 0.37 H new ATOM 0 HB VAL A 92 4.713 -7.323 0.571 1.00 0.47 H new ATOM 0 HG11 VAL A 92 2.874 -8.325 -0.697 1.00 1.08 H new ATOM 0 HG12 VAL A 92 2.870 -8.841 1.007 1.00 1.08 H new ATOM 0 HG13 VAL A 92 1.707 -7.616 0.446 1.00 1.08 H new ATOM 0 HG21 VAL A 92 3.704 -6.115 -1.326 1.00 1.06 H new ATOM 0 HG22 VAL A 92 2.580 -5.309 -0.206 1.00 1.06 H new ATOM 0 HG23 VAL A 92 4.329 -5.000 -0.087 1.00 1.06 H new ATOM 1393 N MET A 93 2.262 -7.587 3.821 1.00 0.29 N ATOM 1394 CA MET A 93 1.877 -8.726 4.647 1.00 0.31 C ATOM 1395 C MET A 93 1.155 -9.760 3.787 1.00 0.31 C ATOM 1396 O MET A 93 0.797 -9.459 2.650 1.00 0.31 O ATOM 1397 CB MET A 93 0.972 -8.265 5.798 1.00 0.36 C ATOM 1398 CG MET A 93 1.720 -7.565 6.918 1.00 0.67 C ATOM 1399 SD MET A 93 2.673 -8.702 7.942 1.00 1.32 S ATOM 1400 CE MET A 93 1.356 -9.588 8.772 1.00 0.65 C ATOM 0 H MET A 93 1.635 -6.786 3.894 1.00 0.29 H new ATOM 0 HA MET A 93 2.772 -9.179 5.073 1.00 0.31 H new ATOM 0 HB2 MET A 93 0.212 -7.591 5.403 1.00 0.36 H new ATOM 0 HB3 MET A 93 0.450 -9.130 6.207 1.00 0.36 H new ATOM 0 HG2 MET A 93 2.391 -6.820 6.490 1.00 0.67 H new ATOM 0 HG3 MET A 93 1.007 -7.029 7.545 1.00 0.67 H new ATOM 0 HE1 MET A 93 1.555 -10.659 8.729 1.00 0.65 H new ATOM 0 HE2 MET A 93 1.303 -9.270 9.813 1.00 0.65 H new ATOM 0 HE3 MET A 93 0.407 -9.375 8.279 1.00 0.65 H new ATOM 1410 N PRO A 94 0.928 -10.987 4.291 1.00 0.38 N ATOM 1411 CA PRO A 94 0.234 -12.033 3.531 1.00 0.42 C ATOM 1412 C PRO A 94 -1.076 -11.549 2.915 1.00 0.39 C ATOM 1413 O PRO A 94 -1.358 -11.823 1.747 1.00 0.42 O ATOM 1414 CB PRO A 94 -0.030 -13.137 4.570 1.00 0.52 C ATOM 1415 CG PRO A 94 0.338 -12.549 5.893 1.00 0.61 C ATOM 1416 CD PRO A 94 1.345 -11.474 5.611 1.00 0.46 C ATOM 0 HA PRO A 94 0.832 -12.368 2.683 1.00 0.42 H new ATOM 0 HB2 PRO A 94 -1.076 -13.445 4.556 1.00 0.52 H new ATOM 0 HB3 PRO A 94 0.566 -14.024 4.357 1.00 0.52 H new ATOM 0 HG2 PRO A 94 -0.539 -12.138 6.393 1.00 0.61 H new ATOM 0 HG3 PRO A 94 0.755 -13.309 6.554 1.00 0.61 H new ATOM 0 HD2 PRO A 94 1.317 -10.685 6.362 1.00 0.46 H new ATOM 0 HD3 PRO A 94 2.362 -11.865 5.597 1.00 0.46 H new ATOM 1424 N GLN A 95 -1.851 -10.793 3.682 1.00 0.40 N ATOM 1425 CA GLN A 95 -3.138 -10.325 3.217 1.00 0.43 C ATOM 1426 C GLN A 95 -2.965 -9.251 2.154 1.00 0.36 C ATOM 1427 O GLN A 95 -3.822 -9.085 1.282 1.00 0.39 O ATOM 1428 CB GLN A 95 -3.958 -9.799 4.389 1.00 0.53 C ATOM 1429 CG GLN A 95 -4.103 -10.816 5.502 1.00 0.64 C ATOM 1430 CD GLN A 95 -5.548 -11.139 5.819 1.00 0.88 C ATOM 1431 OE1 GLN A 95 -6.434 -10.301 5.651 1.00 1.41 O ATOM 1432 NE2 GLN A 95 -5.793 -12.355 6.278 1.00 1.47 N ATOM 0 H GLN A 95 -1.606 -10.494 4.626 1.00 0.40 H new ATOM 0 HA GLN A 95 -3.673 -11.161 2.767 1.00 0.43 H new ATOM 0 HB2 GLN A 95 -3.486 -8.899 4.783 1.00 0.53 H new ATOM 0 HB3 GLN A 95 -4.948 -9.510 4.035 1.00 0.53 H new ATOM 0 HG2 GLN A 95 -3.584 -11.732 5.220 1.00 0.64 H new ATOM 0 HG3 GLN A 95 -3.615 -10.437 6.400 1.00 0.64 H new ATOM 0 HE21 GLN A 95 -5.027 -13.017 6.402 1.00 1.47 H new ATOM 0 HE22 GLN A 95 -6.748 -12.630 6.508 1.00 1.47 H new ATOM 1441 N THR A 96 -1.840 -8.543 2.214 1.00 0.33 N ATOM 1442 CA THR A 96 -1.523 -7.524 1.236 1.00 0.31 C ATOM 1443 C THR A 96 -1.430 -8.137 -0.167 1.00 0.29 C ATOM 1444 O THR A 96 -1.839 -7.527 -1.155 1.00 0.34 O ATOM 1445 CB THR A 96 -0.206 -6.826 1.608 1.00 0.34 C ATOM 1446 OG1 THR A 96 -0.246 -6.437 2.987 1.00 0.37 O ATOM 1447 CG2 THR A 96 0.021 -5.603 0.744 1.00 0.46 C ATOM 0 H THR A 96 -1.132 -8.663 2.938 1.00 0.33 H new ATOM 0 HA THR A 96 -2.322 -6.782 1.232 1.00 0.31 H new ATOM 0 HB THR A 96 0.615 -7.523 1.441 1.00 0.34 H new ATOM 0 HG1 THR A 96 -0.759 -5.607 3.078 1.00 0.37 H new ATOM 0 HG21 THR A 96 0.960 -5.127 1.027 1.00 0.46 H new ATOM 0 HG22 THR A 96 0.067 -5.901 -0.304 1.00 0.46 H new ATOM 0 HG23 THR A 96 -0.800 -4.900 0.886 1.00 0.46 H new ATOM 1455 N VAL A 97 -0.919 -9.363 -0.247 1.00 0.33 N ATOM 1456 CA VAL A 97 -0.827 -10.061 -1.520 1.00 0.39 C ATOM 1457 C VAL A 97 -2.146 -10.760 -1.853 1.00 0.34 C ATOM 1458 O VAL A 97 -2.544 -10.810 -3.011 1.00 0.37 O ATOM 1459 CB VAL A 97 0.346 -11.069 -1.556 1.00 0.60 C ATOM 1460 CG1 VAL A 97 1.235 -10.900 -0.351 1.00 1.00 C ATOM 1461 CG2 VAL A 97 -0.144 -12.492 -1.664 1.00 1.05 C ATOM 0 H VAL A 97 -0.565 -9.889 0.552 1.00 0.33 H new ATOM 0 HA VAL A 97 -0.626 -9.307 -2.281 1.00 0.39 H new ATOM 0 HB VAL A 97 0.932 -10.856 -2.450 1.00 0.60 H new ATOM 0 HG11 VAL A 97 2.053 -11.619 -0.398 1.00 1.00 H new ATOM 0 HG12 VAL A 97 1.642 -9.889 -0.338 1.00 1.00 H new ATOM 0 HG13 VAL A 97 0.655 -11.069 0.556 1.00 1.00 H new ATOM 0 HG21 VAL A 97 0.709 -13.170 -1.687 1.00 1.05 H new ATOM 0 HG22 VAL A 97 -0.772 -12.727 -0.804 1.00 1.05 H new ATOM 0 HG23 VAL A 97 -0.724 -12.609 -2.579 1.00 1.05 H new ATOM 1471 N GLU A 98 -2.823 -11.273 -0.827 1.00 0.35 N ATOM 1472 CA GLU A 98 -4.080 -11.994 -1.014 1.00 0.40 C ATOM 1473 C GLU A 98 -5.139 -11.110 -1.656 1.00 0.34 C ATOM 1474 O GLU A 98 -5.893 -11.553 -2.523 1.00 0.45 O ATOM 1475 CB GLU A 98 -4.586 -12.511 0.333 1.00 0.54 C ATOM 1476 CG GLU A 98 -3.780 -13.675 0.877 1.00 0.72 C ATOM 1477 CD GLU A 98 -4.142 -14.985 0.213 1.00 1.14 C ATOM 1478 OE1 GLU A 98 -3.853 -15.141 -0.992 1.00 1.55 O ATOM 1479 OE2 GLU A 98 -4.701 -15.873 0.893 1.00 1.62 O ATOM 0 H GLU A 98 -2.521 -11.202 0.145 1.00 0.35 H new ATOM 0 HA GLU A 98 -3.890 -12.833 -1.683 1.00 0.40 H new ATOM 0 HB2 GLU A 98 -4.566 -11.696 1.057 1.00 0.54 H new ATOM 0 HB3 GLU A 98 -5.627 -12.818 0.228 1.00 0.54 H new ATOM 0 HG2 GLU A 98 -2.718 -13.478 0.731 1.00 0.72 H new ATOM 0 HG3 GLU A 98 -3.945 -13.757 1.951 1.00 0.72 H new ATOM 1486 N ALA A 99 -5.181 -9.858 -1.235 1.00 0.28 N ATOM 1487 CA ALA A 99 -6.147 -8.916 -1.765 1.00 0.27 C ATOM 1488 C ALA A 99 -5.852 -8.632 -3.233 1.00 0.25 C ATOM 1489 O ALA A 99 -6.746 -8.650 -4.070 1.00 0.34 O ATOM 1490 CB ALA A 99 -6.119 -7.637 -0.950 1.00 0.31 C ATOM 0 H ALA A 99 -4.556 -9.471 -0.527 1.00 0.28 H new ATOM 0 HA ALA A 99 -7.146 -9.348 -1.696 1.00 0.27 H new ATOM 0 HB1 ALA A 99 -6.847 -6.933 -1.353 1.00 0.31 H new ATOM 0 HB2 ALA A 99 -6.367 -7.861 0.088 1.00 0.31 H new ATOM 0 HB3 ALA A 99 -5.123 -7.197 -0.998 1.00 0.31 H new ATOM 1496 N ILE A 100 -4.583 -8.410 -3.526 1.00 0.25 N ATOM 1497 CA ILE A 100 -4.112 -8.171 -4.887 1.00 0.24 C ATOM 1498 C ILE A 100 -4.328 -9.398 -5.770 1.00 0.28 C ATOM 1499 O ILE A 100 -4.768 -9.286 -6.907 1.00 0.34 O ATOM 1500 CB ILE A 100 -2.620 -7.792 -4.836 1.00 0.25 C ATOM 1501 CG1 ILE A 100 -2.428 -6.319 -5.193 1.00 0.36 C ATOM 1502 CG2 ILE A 100 -1.755 -8.685 -5.714 1.00 0.37 C ATOM 1503 CD1 ILE A 100 -0.990 -5.847 -5.099 1.00 0.38 C ATOM 0 H ILE A 100 -3.842 -8.389 -2.825 1.00 0.25 H new ATOM 0 HA ILE A 100 -4.684 -7.354 -5.326 1.00 0.24 H new ATOM 0 HB ILE A 100 -2.286 -7.952 -3.811 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -2.790 -6.151 -6.207 1.00 0.36 H new ATOM 0 HG13 ILE A 100 -3.044 -5.711 -4.530 1.00 0.36 H new ATOM 0 HG21 ILE A 100 -0.714 -8.371 -5.638 1.00 0.37 H new ATOM 0 HG22 ILE A 100 -1.847 -9.720 -5.383 1.00 0.37 H new ATOM 0 HG23 ILE A 100 -2.084 -8.605 -6.750 1.00 0.37 H new ATOM 0 HD11 ILE A 100 -0.935 -4.792 -5.367 1.00 0.38 H new ATOM 0 HD12 ILE A 100 -0.629 -5.981 -4.079 1.00 0.38 H new ATOM 0 HD13 ILE A 100 -0.371 -6.428 -5.783 1.00 0.38 H new ATOM 1515 N ASN A 101 -4.033 -10.565 -5.227 1.00 0.31 N ATOM 1516 CA ASN A 101 -4.183 -11.816 -5.910 1.00 0.38 C ATOM 1517 C ASN A 101 -5.650 -12.048 -6.246 1.00 0.37 C ATOM 1518 O ASN A 101 -5.990 -12.659 -7.261 1.00 0.46 O ATOM 1519 CB ASN A 101 -3.638 -12.871 -4.962 1.00 0.46 C ATOM 1520 CG ASN A 101 -4.043 -14.265 -5.292 1.00 1.08 C ATOM 1521 OD1 ASN A 101 -4.160 -14.657 -6.453 1.00 1.85 O ATOM 1522 ND2 ASN A 101 -4.270 -15.024 -4.252 1.00 1.55 N ATOM 0 H ASN A 101 -3.675 -10.661 -4.277 1.00 0.31 H new ATOM 0 HA ASN A 101 -3.645 -11.844 -6.857 1.00 0.38 H new ATOM 0 HB2 ASN A 101 -2.550 -12.813 -4.961 1.00 0.46 H new ATOM 0 HB3 ASN A 101 -3.971 -12.639 -3.950 1.00 0.46 H new ATOM 0 HD21 ASN A 101 -4.560 -15.993 -4.382 1.00 1.55 H new ATOM 0 HD22 ASN A 101 -4.157 -14.647 -3.311 1.00 1.55 H new ATOM 1529 N HIS A 102 -6.516 -11.520 -5.396 1.00 0.33 N ATOM 1530 CA HIS A 102 -7.947 -11.600 -5.616 1.00 0.38 C ATOM 1531 C HIS A 102 -8.404 -10.479 -6.543 1.00 0.38 C ATOM 1532 O HIS A 102 -9.340 -10.652 -7.322 1.00 0.47 O ATOM 1533 CB HIS A 102 -8.699 -11.507 -4.281 1.00 0.43 C ATOM 1534 CG HIS A 102 -10.146 -11.884 -4.378 1.00 0.55 C ATOM 1535 ND1 HIS A 102 -10.650 -13.060 -3.874 1.00 0.75 N ATOM 1536 CD2 HIS A 102 -11.197 -11.230 -4.921 1.00 0.61 C ATOM 1537 CE1 HIS A 102 -11.947 -13.117 -4.108 1.00 0.85 C ATOM 1538 NE2 HIS A 102 -12.310 -12.018 -4.744 1.00 0.77 N ATOM 0 H HIS A 102 -6.248 -11.029 -4.543 1.00 0.33 H new ATOM 0 HA HIS A 102 -8.169 -12.560 -6.082 1.00 0.38 H new ATOM 0 HB2 HIS A 102 -8.211 -12.156 -3.553 1.00 0.43 H new ATOM 0 HB3 HIS A 102 -8.623 -10.488 -3.901 1.00 0.43 H new ATOM 0 HD2 HIS A 102 -11.168 -10.265 -5.405 1.00 0.61 H new ATOM 0 HE1 HIS A 102 -12.603 -13.928 -3.826 1.00 0.85 H new ATOM 0 HE2 HIS A 102 -13.256 -11.792 -5.052 1.00 0.77 H new ATOM 1547 N ALA A 103 -7.740 -9.332 -6.464 1.00 0.32 N ATOM 1548 CA ALA A 103 -8.198 -8.152 -7.186 1.00 0.38 C ATOM 1549 C ALA A 103 -7.655 -8.096 -8.605 1.00 0.40 C ATOM 1550 O ALA A 103 -8.405 -7.917 -9.558 1.00 0.48 O ATOM 1551 CB ALA A 103 -7.802 -6.892 -6.436 1.00 0.43 C ATOM 0 H ALA A 103 -6.892 -9.194 -5.914 1.00 0.32 H new ATOM 0 HA ALA A 103 -9.284 -8.218 -7.251 1.00 0.38 H new ATOM 0 HB1 ALA A 103 -8.150 -6.017 -6.985 1.00 0.43 H new ATOM 0 HB2 ALA A 103 -8.255 -6.901 -5.444 1.00 0.43 H new ATOM 0 HB3 ALA A 103 -6.717 -6.852 -6.339 1.00 0.43 H new ATOM 1557 N LYS A 104 -6.353 -8.294 -8.736 1.00 0.40 N ATOM 1558 CA LYS A 104 -5.636 -8.018 -9.973 1.00 0.51 C ATOM 1559 C LYS A 104 -6.100 -8.904 -11.129 1.00 0.50 C ATOM 1560 O LYS A 104 -5.852 -8.596 -12.293 1.00 0.60 O ATOM 1561 CB LYS A 104 -4.140 -8.191 -9.714 1.00 0.64 C ATOM 1562 CG LYS A 104 -3.638 -9.612 -9.852 1.00 1.11 C ATOM 1563 CD LYS A 104 -2.281 -9.741 -9.202 1.00 1.57 C ATOM 1564 CE LYS A 104 -1.689 -11.121 -9.387 1.00 1.92 C ATOM 1565 NZ LYS A 104 -1.389 -11.414 -10.813 1.00 2.56 N ATOM 0 H LYS A 104 -5.761 -8.652 -7.986 1.00 0.40 H new ATOM 0 HA LYS A 104 -5.849 -6.993 -10.278 1.00 0.51 H new ATOM 0 HB2 LYS A 104 -3.589 -7.556 -10.407 1.00 0.64 H new ATOM 0 HB3 LYS A 104 -3.915 -7.836 -8.708 1.00 0.64 H new ATOM 0 HG2 LYS A 104 -4.341 -10.303 -9.387 1.00 1.11 H new ATOM 0 HG3 LYS A 104 -3.574 -9.884 -10.906 1.00 1.11 H new ATOM 0 HD2 LYS A 104 -1.605 -8.998 -9.625 1.00 1.57 H new ATOM 0 HD3 LYS A 104 -2.368 -9.524 -8.137 1.00 1.57 H new ATOM 0 HE2 LYS A 104 -0.774 -11.204 -8.800 1.00 1.92 H new ATOM 0 HE3 LYS A 104 -2.384 -11.868 -9.002 1.00 1.92 H new ATOM 0 HZ1 LYS A 104 -0.820 -12.282 -10.877 1.00 2.56 H new ATOM 0 HZ2 LYS A 104 -2.279 -11.545 -11.335 1.00 2.56 H new ATOM 0 HZ3 LYS A 104 -0.858 -10.621 -11.226 1.00 2.56 H new ATOM 1579 N ALA A 105 -6.799 -9.983 -10.808 1.00 0.51 N ATOM 1580 CA ALA A 105 -7.243 -10.928 -11.820 1.00 0.61 C ATOM 1581 C ALA A 105 -8.553 -10.490 -12.471 1.00 0.66 C ATOM 1582 O ALA A 105 -9.137 -11.225 -13.267 1.00 0.76 O ATOM 1583 CB ALA A 105 -7.389 -12.316 -11.213 1.00 0.72 C ATOM 0 H ALA A 105 -7.070 -10.225 -9.855 1.00 0.51 H new ATOM 0 HA ALA A 105 -6.484 -10.957 -12.602 1.00 0.61 H new ATOM 0 HB1 ALA A 105 -7.722 -13.015 -11.980 1.00 0.72 H new ATOM 0 HB2 ALA A 105 -6.428 -12.643 -10.817 1.00 0.72 H new ATOM 0 HB3 ALA A 105 -8.122 -12.285 -10.407 1.00 0.72 H new ATOM 1589 N ALA A 106 -9.008 -9.292 -12.140 1.00 0.62 N ATOM 1590 CA ALA A 106 -10.207 -8.743 -12.746 1.00 0.70 C ATOM 1591 C ALA A 106 -9.827 -7.797 -13.875 1.00 0.72 C ATOM 1592 O ALA A 106 -10.691 -7.169 -14.489 1.00 0.90 O ATOM 1593 CB ALA A 106 -11.063 -8.033 -11.706 1.00 0.75 C ATOM 0 H ALA A 106 -8.563 -8.682 -11.454 1.00 0.62 H new ATOM 0 HA ALA A 106 -10.799 -9.560 -13.159 1.00 0.70 H new ATOM 0 HB1 ALA A 106 -11.956 -7.630 -12.184 1.00 0.75 H new ATOM 0 HB2 ALA A 106 -11.355 -8.741 -10.930 1.00 0.75 H new ATOM 0 HB3 ALA A 106 -10.492 -7.219 -11.259 1.00 0.75 H new ATOM 1599 N ASN A 107 -8.510 -7.696 -14.110 1.00 0.67 N ATOM 1600 CA ASN A 107 -7.946 -6.910 -15.209 1.00 0.73 C ATOM 1601 C ASN A 107 -7.974 -5.449 -14.820 1.00 0.67 C ATOM 1602 O ASN A 107 -8.097 -4.544 -15.643 1.00 0.80 O ATOM 1603 CB ASN A 107 -8.686 -7.156 -16.511 1.00 0.92 C ATOM 1604 CG ASN A 107 -7.811 -6.958 -17.739 1.00 1.44 C ATOM 1605 OD1 ASN A 107 -7.716 -5.859 -18.283 1.00 1.99 O ATOM 1606 ND2 ASN A 107 -7.161 -8.024 -18.182 1.00 2.06 N ATOM 0 H ASN A 107 -7.806 -8.161 -13.538 1.00 0.67 H new ATOM 0 HA ASN A 107 -6.915 -7.219 -15.382 1.00 0.73 H new ATOM 0 HB2 ASN A 107 -9.079 -8.172 -16.512 1.00 0.92 H new ATOM 0 HB3 ASN A 107 -9.541 -6.483 -16.569 1.00 0.92 H new ATOM 0 HD21 ASN A 107 -6.557 -7.949 -19.001 1.00 2.06 H new ATOM 0 HD22 ASN A 107 -7.265 -8.919 -17.705 1.00 2.06 H new ATOM 1613 N VAL A 108 -7.826 -5.254 -13.529 1.00 0.55 N ATOM 1614 CA VAL A 108 -7.937 -3.954 -12.906 1.00 0.49 C ATOM 1615 C VAL A 108 -6.571 -3.470 -12.432 1.00 0.40 C ATOM 1616 O VAL A 108 -5.702 -4.277 -12.096 1.00 0.42 O ATOM 1617 CB VAL A 108 -8.909 -4.032 -11.706 1.00 0.54 C ATOM 1618 CG1 VAL A 108 -8.887 -5.413 -11.083 1.00 1.00 C ATOM 1619 CG2 VAL A 108 -8.542 -3.015 -10.662 1.00 1.08 C ATOM 0 H VAL A 108 -7.622 -6.007 -12.872 1.00 0.55 H new ATOM 0 HA VAL A 108 -8.322 -3.246 -13.640 1.00 0.49 H new ATOM 0 HB VAL A 108 -9.912 -3.824 -12.079 1.00 0.54 H new ATOM 0 HG11 VAL A 108 -9.579 -5.443 -10.241 1.00 1.00 H new ATOM 0 HG12 VAL A 108 -9.187 -6.152 -11.826 1.00 1.00 H new ATOM 0 HG13 VAL A 108 -7.880 -5.638 -10.733 1.00 1.00 H new ATOM 0 HG21 VAL A 108 -9.237 -3.085 -9.825 1.00 1.08 H new ATOM 0 HG22 VAL A 108 -7.529 -3.206 -10.309 1.00 1.08 H new ATOM 0 HG23 VAL A 108 -8.594 -2.015 -11.094 1.00 1.08 H new ATOM 1629 N PRO A 109 -6.342 -2.147 -12.460 1.00 0.39 N ATOM 1630 CA PRO A 109 -5.145 -1.546 -11.887 1.00 0.35 C ATOM 1631 C PRO A 109 -5.145 -1.523 -10.364 1.00 0.30 C ATOM 1632 O PRO A 109 -6.192 -1.405 -9.701 1.00 0.34 O ATOM 1633 CB PRO A 109 -5.148 -0.112 -12.404 1.00 0.43 C ATOM 1634 CG PRO A 109 -6.257 -0.022 -13.388 1.00 0.51 C ATOM 1635 CD PRO A 109 -7.208 -1.144 -13.085 1.00 0.48 C ATOM 0 HA PRO A 109 -4.267 -2.125 -12.172 1.00 0.35 H new ATOM 0 HB2 PRO A 109 -5.295 0.595 -11.587 1.00 0.43 H new ATOM 0 HB3 PRO A 109 -4.194 0.134 -12.871 1.00 0.43 H new ATOM 0 HG2 PRO A 109 -6.761 0.941 -13.313 1.00 0.51 H new ATOM 0 HG3 PRO A 109 -5.876 -0.104 -14.406 1.00 0.51 H new ATOM 0 HD2 PRO A 109 -8.007 -0.826 -12.415 1.00 0.48 H new ATOM 0 HD3 PRO A 109 -7.683 -1.527 -13.989 1.00 0.48 H new ATOM 1643 N ILE A 110 -3.945 -1.562 -9.823 1.00 0.27 N ATOM 1644 CA ILE A 110 -3.755 -1.609 -8.383 1.00 0.25 C ATOM 1645 C ILE A 110 -2.979 -0.384 -7.914 1.00 0.23 C ATOM 1646 O ILE A 110 -2.079 0.101 -8.605 1.00 0.26 O ATOM 1647 CB ILE A 110 -3.043 -2.919 -7.929 1.00 0.30 C ATOM 1648 CG1 ILE A 110 -4.062 -4.048 -7.707 1.00 0.46 C ATOM 1649 CG2 ILE A 110 -2.221 -2.713 -6.663 1.00 0.45 C ATOM 1650 CD1 ILE A 110 -4.334 -4.895 -8.928 1.00 0.96 C ATOM 0 H ILE A 110 -3.079 -1.562 -10.361 1.00 0.27 H new ATOM 0 HA ILE A 110 -4.742 -1.604 -7.920 1.00 0.25 H new ATOM 0 HB ILE A 110 -2.362 -3.202 -8.732 1.00 0.30 H new ATOM 0 HG12 ILE A 110 -3.702 -4.693 -6.906 1.00 0.46 H new ATOM 0 HG13 ILE A 110 -5.001 -3.611 -7.367 1.00 0.46 H new ATOM 0 HG21 ILE A 110 -1.743 -3.652 -6.383 1.00 0.45 H new ATOM 0 HG22 ILE A 110 -1.458 -1.956 -6.844 1.00 0.45 H new ATOM 0 HG23 ILE A 110 -2.874 -2.383 -5.855 1.00 0.45 H new ATOM 0 HD11 ILE A 110 -5.064 -5.666 -8.681 1.00 0.96 H new ATOM 0 HD12 ILE A 110 -4.727 -4.266 -9.727 1.00 0.96 H new ATOM 0 HD13 ILE A 110 -3.408 -5.365 -9.259 1.00 0.96 H new ATOM 1662 N ILE A 111 -3.351 0.127 -6.751 1.00 0.23 N ATOM 1663 CA ILE A 111 -2.683 1.268 -6.161 1.00 0.25 C ATOM 1664 C ILE A 111 -1.973 0.801 -4.934 1.00 0.32 C ATOM 1665 O ILE A 111 -2.397 -0.138 -4.303 1.00 0.71 O ATOM 1666 CB ILE A 111 -3.671 2.394 -5.770 1.00 0.29 C ATOM 1667 CG1 ILE A 111 -4.337 2.992 -6.999 1.00 0.35 C ATOM 1668 CG2 ILE A 111 -2.996 3.476 -4.951 1.00 0.34 C ATOM 1669 CD1 ILE A 111 -5.506 2.178 -7.468 1.00 0.53 C ATOM 0 H ILE A 111 -4.123 -0.239 -6.194 1.00 0.23 H new ATOM 0 HA ILE A 111 -1.994 1.681 -6.898 1.00 0.25 H new ATOM 0 HB ILE A 111 -4.442 1.940 -5.148 1.00 0.29 H new ATOM 0 HG12 ILE A 111 -4.670 4.005 -6.772 1.00 0.35 H new ATOM 0 HG13 ILE A 111 -3.606 3.070 -7.804 1.00 0.35 H new ATOM 0 HG21 ILE A 111 -3.723 4.247 -4.697 1.00 0.34 H new ATOM 0 HG22 ILE A 111 -2.593 3.042 -4.036 1.00 0.34 H new ATOM 0 HG23 ILE A 111 -2.185 3.918 -5.530 1.00 0.34 H new ATOM 0 HD11 ILE A 111 -5.947 2.647 -8.348 1.00 0.53 H new ATOM 0 HD12 ILE A 111 -5.171 1.173 -7.723 1.00 0.53 H new ATOM 0 HD13 ILE A 111 -6.252 2.122 -6.675 1.00 0.53 H new ATOM 1681 N VAL A 112 -0.874 1.413 -4.626 1.00 0.21 N ATOM 1682 CA VAL A 112 -0.214 1.143 -3.404 1.00 0.20 C ATOM 1683 C VAL A 112 -0.280 2.354 -2.526 1.00 0.20 C ATOM 1684 O VAL A 112 -0.100 3.479 -2.985 1.00 0.23 O ATOM 1685 CB VAL A 112 1.241 0.801 -3.638 1.00 0.20 C ATOM 1686 CG1 VAL A 112 1.680 -0.225 -2.656 1.00 0.20 C ATOM 1687 CG2 VAL A 112 1.454 0.297 -5.045 1.00 0.22 C ATOM 0 H VAL A 112 -0.417 2.109 -5.215 1.00 0.21 H new ATOM 0 HA VAL A 112 -0.709 0.295 -2.930 1.00 0.20 H new ATOM 0 HB VAL A 112 1.836 1.705 -3.506 1.00 0.20 H new ATOM 0 HG11 VAL A 112 2.728 -0.468 -2.828 1.00 0.20 H new ATOM 0 HG12 VAL A 112 1.559 0.164 -1.645 1.00 0.20 H new ATOM 0 HG13 VAL A 112 1.075 -1.124 -2.774 1.00 0.20 H new ATOM 0 HG21 VAL A 112 2.507 0.057 -5.190 1.00 0.22 H new ATOM 0 HG22 VAL A 112 0.853 -0.598 -5.206 1.00 0.22 H new ATOM 0 HG23 VAL A 112 1.156 1.067 -5.756 1.00 0.22 H new ATOM 1697 N ALA A 113 -0.534 2.123 -1.274 1.00 0.19 N ATOM 1698 CA ALA A 113 -0.528 3.182 -0.317 1.00 0.21 C ATOM 1699 C ALA A 113 0.530 2.874 0.699 1.00 0.21 C ATOM 1700 O ALA A 113 0.274 2.235 1.708 1.00 0.23 O ATOM 1701 CB ALA A 113 -1.891 3.337 0.334 1.00 0.25 C ATOM 0 H ALA A 113 -0.749 1.202 -0.891 1.00 0.19 H new ATOM 0 HA ALA A 113 -0.308 4.131 -0.806 1.00 0.21 H new ATOM 0 HB1 ALA A 113 -1.858 4.151 1.059 1.00 0.25 H new ATOM 0 HB2 ALA A 113 -2.636 3.561 -0.430 1.00 0.25 H new ATOM 0 HB3 ALA A 113 -2.159 2.410 0.841 1.00 0.25 H new ATOM 1707 N ILE A 114 1.727 3.317 0.397 1.00 0.21 N ATOM 1708 CA ILE A 114 2.852 3.148 1.277 1.00 0.24 C ATOM 1709 C ILE A 114 2.723 4.098 2.452 1.00 0.25 C ATOM 1710 O ILE A 114 3.279 5.193 2.441 1.00 0.30 O ATOM 1711 CB ILE A 114 4.171 3.419 0.534 1.00 0.28 C ATOM 1712 CG1 ILE A 114 4.192 2.703 -0.821 1.00 0.32 C ATOM 1713 CG2 ILE A 114 5.329 2.958 1.385 1.00 0.36 C ATOM 1714 CD1 ILE A 114 5.426 3.001 -1.645 1.00 0.85 C ATOM 0 H ILE A 114 1.946 3.807 -0.471 1.00 0.21 H new ATOM 0 HA ILE A 114 2.863 2.119 1.635 1.00 0.24 H new ATOM 0 HB ILE A 114 4.258 4.490 0.350 1.00 0.28 H new ATOM 0 HG12 ILE A 114 4.127 1.628 -0.655 1.00 0.32 H new ATOM 0 HG13 ILE A 114 3.308 2.992 -1.389 1.00 0.32 H new ATOM 0 HG21 ILE A 114 6.265 3.149 0.860 1.00 0.36 H new ATOM 0 HG22 ILE A 114 5.325 3.501 2.330 1.00 0.36 H new ATOM 0 HG23 ILE A 114 5.234 1.890 1.581 1.00 0.36 H new ATOM 0 HD11 ILE A 114 5.372 2.460 -2.590 1.00 0.85 H new ATOM 0 HD12 ILE A 114 5.482 4.072 -1.842 1.00 0.85 H new ATOM 0 HD13 ILE A 114 6.314 2.686 -1.097 1.00 0.85 H new ATOM 1726 N ASN A 115 1.973 3.679 3.453 1.00 0.26 N ATOM 1727 CA ASN A 115 1.649 4.539 4.575 1.00 0.31 C ATOM 1728 C ASN A 115 2.712 4.412 5.655 1.00 0.37 C ATOM 1729 O ASN A 115 3.533 3.494 5.620 1.00 0.39 O ATOM 1730 CB ASN A 115 0.270 4.149 5.126 1.00 0.39 C ATOM 1731 CG ASN A 115 -0.226 5.058 6.240 1.00 0.47 C ATOM 1732 OD1 ASN A 115 0.049 6.260 6.261 1.00 0.60 O ATOM 1733 ND2 ASN A 115 -0.960 4.480 7.182 1.00 0.69 N ATOM 0 H ASN A 115 1.574 2.742 3.512 1.00 0.26 H new ATOM 0 HA ASN A 115 1.622 5.578 4.245 1.00 0.31 H new ATOM 0 HB2 ASN A 115 -0.453 4.161 4.311 1.00 0.39 H new ATOM 0 HB3 ASN A 115 0.314 3.125 5.498 1.00 0.39 H new ATOM 0 HD21 ASN A 115 -1.319 5.033 7.960 1.00 0.69 H new ATOM 0 HD22 ASN A 115 -1.165 3.482 7.128 1.00 0.69 H new ATOM 1740 N LYS A 116 2.715 5.358 6.582 1.00 0.49 N ATOM 1741 CA LYS A 116 3.528 5.273 7.790 1.00 0.62 C ATOM 1742 C LYS A 116 5.029 5.350 7.483 1.00 0.57 C ATOM 1743 O LYS A 116 5.846 4.724 8.158 1.00 0.67 O ATOM 1744 CB LYS A 116 3.199 3.980 8.549 1.00 0.78 C ATOM 1745 CG LYS A 116 3.683 3.952 9.991 1.00 1.15 C ATOM 1746 CD LYS A 116 3.434 2.594 10.625 1.00 1.50 C ATOM 1747 CE LYS A 116 1.954 2.248 10.648 1.00 2.05 C ATOM 1748 NZ LYS A 116 1.715 0.879 11.173 1.00 2.61 N ATOM 0 H LYS A 116 2.154 6.208 6.520 1.00 0.49 H new ATOM 0 HA LYS A 116 3.286 6.132 8.415 1.00 0.62 H new ATOM 0 HB2 LYS A 116 2.119 3.833 8.539 1.00 0.78 H new ATOM 0 HB3 LYS A 116 3.640 3.138 8.015 1.00 0.78 H new ATOM 0 HG2 LYS A 116 4.748 4.183 10.025 1.00 1.15 H new ATOM 0 HG3 LYS A 116 3.171 4.724 10.565 1.00 1.15 H new ATOM 0 HD2 LYS A 116 3.978 1.829 10.072 1.00 1.50 H new ATOM 0 HD3 LYS A 116 3.825 2.590 11.643 1.00 1.50 H new ATOM 0 HE2 LYS A 116 1.421 2.972 11.265 1.00 2.05 H new ATOM 0 HE3 LYS A 116 1.547 2.327 9.640 1.00 2.05 H new ATOM 0 HZ1 LYS A 116 0.694 0.680 11.173 1.00 2.61 H new ATOM 0 HZ2 LYS A 116 2.203 0.186 10.570 1.00 2.61 H new ATOM 0 HZ3 LYS A 116 2.081 0.811 12.144 1.00 2.61 H new ATOM 1762 N MET A 117 5.403 6.121 6.468 1.00 0.58 N ATOM 1763 CA MET A 117 6.816 6.419 6.256 1.00 0.69 C ATOM 1764 C MET A 117 7.206 7.654 7.050 1.00 0.81 C ATOM 1765 O MET A 117 8.259 8.252 6.835 1.00 1.03 O ATOM 1766 CB MET A 117 7.181 6.566 4.786 1.00 0.85 C ATOM 1767 CG MET A 117 6.190 7.345 3.940 1.00 0.81 C ATOM 1768 SD MET A 117 6.792 7.545 2.256 1.00 1.37 S ATOM 1769 CE MET A 117 7.473 5.912 1.994 1.00 0.65 C ATOM 0 H MET A 117 4.765 6.543 5.793 1.00 0.58 H new ATOM 0 HA MET A 117 7.388 5.564 6.617 1.00 0.69 H new ATOM 0 HB2 MET A 117 8.153 7.055 4.718 1.00 0.85 H new ATOM 0 HB3 MET A 117 7.295 5.571 4.357 1.00 0.85 H new ATOM 0 HG2 MET A 117 5.231 6.826 3.928 1.00 0.81 H new ATOM 0 HG3 MET A 117 6.017 8.324 4.386 1.00 0.81 H new ATOM 0 HE1 MET A 117 7.618 5.745 0.927 1.00 0.65 H new ATOM 0 HE2 MET A 117 8.431 5.831 2.507 1.00 0.65 H new ATOM 0 HE3 MET A 117 6.786 5.164 2.388 1.00 0.65 H new ATOM 1852 N ASN A 123 11.963 1.872 3.275 1.00 0.59 N ATOM 1853 CA ASN A 123 12.365 2.294 1.932 1.00 0.57 C ATOM 1854 C ASN A 123 11.474 1.686 0.847 1.00 0.46 C ATOM 1855 O ASN A 123 11.528 0.485 0.588 1.00 0.52 O ATOM 1856 CB ASN A 123 13.835 1.946 1.692 1.00 0.85 C ATOM 1857 CG ASN A 123 14.341 2.351 0.321 1.00 1.28 C ATOM 1858 OD1 ASN A 123 13.906 3.349 -0.252 1.00 1.77 O ATOM 1859 ND2 ASN A 123 15.274 1.578 -0.213 1.00 1.84 N ATOM 0 HA ASN A 123 12.242 3.375 1.871 1.00 0.57 H new ATOM 0 HB2 ASN A 123 14.444 2.434 2.453 1.00 0.85 H new ATOM 0 HB3 ASN A 123 13.970 0.872 1.817 1.00 0.85 H new ATOM 0 HD21 ASN A 123 15.658 1.802 -1.131 1.00 1.84 H new ATOM 0 HD22 ASN A 123 15.609 0.759 0.294 1.00 1.84 H new ATOM 1866 N PRO A 124 10.631 2.536 0.221 1.00 0.41 N ATOM 1867 CA PRO A 124 9.636 2.135 -0.782 1.00 0.47 C ATOM 1868 C PRO A 124 10.076 1.015 -1.723 1.00 0.42 C ATOM 1869 O PRO A 124 9.445 -0.026 -1.740 1.00 0.40 O ATOM 1870 CB PRO A 124 9.402 3.426 -1.550 1.00 0.66 C ATOM 1871 CG PRO A 124 9.538 4.488 -0.516 1.00 0.70 C ATOM 1872 CD PRO A 124 10.573 3.994 0.463 1.00 0.46 C ATOM 0 HA PRO A 124 8.752 1.711 -0.305 1.00 0.47 H new ATOM 0 HB2 PRO A 124 10.131 3.552 -2.351 1.00 0.66 H new ATOM 0 HB3 PRO A 124 8.415 3.443 -2.012 1.00 0.66 H new ATOM 0 HG2 PRO A 124 9.847 5.432 -0.966 1.00 0.70 H new ATOM 0 HG3 PRO A 124 8.586 4.669 -0.017 1.00 0.70 H new ATOM 0 HD2 PRO A 124 11.541 4.465 0.292 1.00 0.46 H new ATOM 0 HD3 PRO A 124 10.288 4.216 1.491 1.00 0.46 H new ATOM 1880 N ASP A 125 11.146 1.238 -2.493 1.00 0.45 N ATOM 1881 CA ASP A 125 11.649 0.271 -3.500 1.00 0.45 C ATOM 1882 C ASP A 125 11.651 -1.167 -2.996 1.00 0.38 C ATOM 1883 O ASP A 125 11.283 -2.082 -3.732 1.00 0.33 O ATOM 1884 CB ASP A 125 13.065 0.665 -3.898 1.00 0.56 C ATOM 1885 CG ASP A 125 13.710 -0.294 -4.878 1.00 1.16 C ATOM 1886 OD1 ASP A 125 13.530 -0.109 -6.102 1.00 1.28 O ATOM 1887 OD2 ASP A 125 14.370 -1.259 -4.429 1.00 2.00 O ATOM 0 H ASP A 125 11.697 2.095 -2.442 1.00 0.45 H new ATOM 0 HA ASP A 125 10.973 0.309 -4.354 1.00 0.45 H new ATOM 0 HB2 ASP A 125 13.045 1.662 -4.338 1.00 0.56 H new ATOM 0 HB3 ASP A 125 13.682 0.724 -3.001 1.00 0.56 H new ATOM 1892 N ARG A 126 12.061 -1.364 -1.753 1.00 0.40 N ATOM 1893 CA ARG A 126 12.032 -2.689 -1.146 1.00 0.40 C ATOM 1894 C ARG A 126 10.608 -3.216 -1.154 1.00 0.34 C ATOM 1895 O ARG A 126 10.321 -4.299 -1.668 1.00 0.32 O ATOM 1896 CB ARG A 126 12.561 -2.604 0.287 1.00 0.47 C ATOM 1897 CG ARG A 126 12.637 -3.938 1.016 1.00 0.58 C ATOM 1898 CD ARG A 126 11.334 -4.263 1.729 1.00 1.25 C ATOM 1899 NE ARG A 126 11.506 -5.292 2.749 1.00 1.38 N ATOM 1900 CZ ARG A 126 10.527 -5.719 3.545 1.00 2.08 C ATOM 1901 NH1 ARG A 126 9.293 -5.264 3.384 1.00 2.99 N ATOM 1902 NH2 ARG A 126 10.781 -6.617 4.490 1.00 2.15 N ATOM 0 H ARG A 126 12.417 -0.627 -1.145 1.00 0.40 H new ATOM 0 HA ARG A 126 12.664 -3.371 -1.715 1.00 0.40 H new ATOM 0 HB2 ARG A 126 13.556 -2.159 0.267 1.00 0.47 H new ATOM 0 HB3 ARG A 126 11.922 -1.930 0.857 1.00 0.47 H new ATOM 0 HG2 ARG A 126 12.869 -4.730 0.304 1.00 0.58 H new ATOM 0 HG3 ARG A 126 13.451 -3.911 1.740 1.00 0.58 H new ATOM 0 HD2 ARG A 126 10.939 -3.358 2.191 1.00 1.25 H new ATOM 0 HD3 ARG A 126 10.596 -4.597 1.000 1.00 1.25 H new ATOM 0 HE ARG A 126 12.430 -5.709 2.859 1.00 1.38 H new ATOM 0 HH11 ARG A 126 9.091 -4.586 2.650 1.00 2.99 H new ATOM 0 HH12 ARG A 126 8.545 -5.592 3.995 1.00 2.99 H new ATOM 0 HH21 ARG A 126 11.727 -6.981 4.607 1.00 2.15 H new ATOM 0 HH22 ARG A 126 10.030 -6.943 5.099 1.00 2.15 H new ATOM 1916 N VAL A 127 9.726 -2.408 -0.597 1.00 0.34 N ATOM 1917 CA VAL A 127 8.301 -2.712 -0.549 1.00 0.34 C ATOM 1918 C VAL A 127 7.749 -2.861 -1.964 1.00 0.31 C ATOM 1919 O VAL A 127 6.949 -3.745 -2.254 1.00 0.33 O ATOM 1920 CB VAL A 127 7.518 -1.600 0.187 1.00 0.37 C ATOM 1921 CG1 VAL A 127 6.032 -1.928 0.252 1.00 0.39 C ATOM 1922 CG2 VAL A 127 8.084 -1.383 1.585 1.00 0.40 C ATOM 0 H VAL A 127 9.974 -1.519 -0.163 1.00 0.34 H new ATOM 0 HA VAL A 127 8.178 -3.647 -0.003 1.00 0.34 H new ATOM 0 HB VAL A 127 7.632 -0.675 -0.378 1.00 0.37 H new ATOM 0 HG11 VAL A 127 5.506 -1.129 0.775 1.00 0.39 H new ATOM 0 HG12 VAL A 127 5.636 -2.023 -0.759 1.00 0.39 H new ATOM 0 HG13 VAL A 127 5.890 -2.867 0.787 1.00 0.39 H new ATOM 0 HG21 VAL A 127 7.521 -0.597 2.088 1.00 0.40 H new ATOM 0 HG22 VAL A 127 8.006 -2.308 2.157 1.00 0.40 H new ATOM 0 HG23 VAL A 127 9.131 -1.089 1.512 1.00 0.40 H new ATOM 1932 N MET A 128 8.225 -2.004 -2.847 1.00 0.28 N ATOM 1933 CA MET A 128 7.775 -1.970 -4.224 1.00 0.26 C ATOM 1934 C MET A 128 8.162 -3.248 -4.960 1.00 0.25 C ATOM 1935 O MET A 128 7.450 -3.692 -5.865 1.00 0.25 O ATOM 1936 CB MET A 128 8.362 -0.746 -4.930 1.00 0.25 C ATOM 1937 CG MET A 128 8.012 0.568 -4.250 1.00 0.27 C ATOM 1938 SD MET A 128 8.839 1.993 -4.978 1.00 0.30 S ATOM 1939 CE MET A 128 8.062 2.051 -6.585 1.00 0.29 C ATOM 0 H MET A 128 8.938 -1.309 -2.627 1.00 0.28 H new ATOM 0 HA MET A 128 6.687 -1.899 -4.231 1.00 0.26 H new ATOM 0 HB2 MET A 128 9.446 -0.846 -4.974 1.00 0.25 H new ATOM 0 HB3 MET A 128 8.002 -0.722 -5.959 1.00 0.25 H new ATOM 0 HG2 MET A 128 6.934 0.718 -4.300 1.00 0.27 H new ATOM 0 HG3 MET A 128 8.276 0.504 -3.194 1.00 0.27 H new ATOM 0 HE1 MET A 128 8.829 2.101 -7.358 1.00 0.29 H new ATOM 0 HE2 MET A 128 7.458 1.155 -6.730 1.00 0.29 H new ATOM 0 HE3 MET A 128 7.424 2.933 -6.649 1.00 0.29 H new ATOM 1949 N GLN A 129 9.277 -3.856 -4.567 1.00 0.25 N ATOM 1950 CA GLN A 129 9.700 -5.098 -5.191 1.00 0.26 C ATOM 1951 C GLN A 129 8.921 -6.275 -4.636 1.00 0.29 C ATOM 1952 O GLN A 129 8.922 -7.352 -5.223 1.00 0.31 O ATOM 1953 CB GLN A 129 11.200 -5.338 -5.041 1.00 0.29 C ATOM 1954 CG GLN A 129 12.019 -4.703 -6.151 1.00 0.31 C ATOM 1955 CD GLN A 129 13.464 -5.157 -6.139 1.00 0.46 C ATOM 1956 OE1 GLN A 129 14.312 -4.552 -5.491 1.00 1.16 O ATOM 1957 NE2 GLN A 129 13.754 -6.233 -6.849 1.00 1.28 N ATOM 0 H GLN A 129 9.894 -3.513 -3.830 1.00 0.25 H new ATOM 0 HA GLN A 129 9.488 -5.005 -6.256 1.00 0.26 H new ATOM 0 HB2 GLN A 129 11.531 -4.942 -4.081 1.00 0.29 H new ATOM 0 HB3 GLN A 129 11.390 -6.411 -5.026 1.00 0.29 H new ATOM 0 HG2 GLN A 129 11.572 -4.950 -7.114 1.00 0.31 H new ATOM 0 HG3 GLN A 129 11.982 -3.618 -6.051 1.00 0.31 H new ATOM 0 HE21 GLN A 129 13.022 -6.709 -7.375 1.00 1.28 H new ATOM 0 HE22 GLN A 129 14.710 -6.587 -6.871 1.00 1.28 H new ATOM 1966 N GLU A 130 8.252 -6.072 -3.508 1.00 0.33 N ATOM 1967 CA GLU A 130 7.319 -7.073 -3.008 1.00 0.38 C ATOM 1968 C GLU A 130 6.089 -7.071 -3.889 1.00 0.33 C ATOM 1969 O GLU A 130 5.535 -8.116 -4.195 1.00 0.36 O ATOM 1970 CB GLU A 130 6.897 -6.794 -1.569 1.00 0.48 C ATOM 1971 CG GLU A 130 8.027 -6.298 -0.705 1.00 0.71 C ATOM 1972 CD GLU A 130 7.611 -6.079 0.735 1.00 1.18 C ATOM 1973 OE1 GLU A 130 7.200 -7.052 1.392 1.00 1.46 O ATOM 1974 OE2 GLU A 130 7.681 -4.924 1.216 1.00 2.02 O ATOM 0 H GLU A 130 8.336 -5.236 -2.929 1.00 0.33 H new ATOM 0 HA GLU A 130 7.818 -8.042 -3.028 1.00 0.38 H new ATOM 0 HB2 GLU A 130 6.096 -6.054 -1.569 1.00 0.48 H new ATOM 0 HB3 GLU A 130 6.489 -7.706 -1.134 1.00 0.48 H new ATOM 0 HG2 GLU A 130 8.846 -7.017 -0.737 1.00 0.71 H new ATOM 0 HG3 GLU A 130 8.408 -5.363 -1.115 1.00 0.71 H new ATOM 1981 N LEU A 131 5.688 -5.890 -4.338 1.00 0.29 N ATOM 1982 CA LEU A 131 4.490 -5.782 -5.162 1.00 0.29 C ATOM 1983 C LEU A 131 4.738 -6.388 -6.516 1.00 0.24 C ATOM 1984 O LEU A 131 3.932 -7.163 -7.030 1.00 0.25 O ATOM 1985 CB LEU A 131 4.043 -4.334 -5.324 1.00 0.32 C ATOM 1986 CG LEU A 131 3.197 -3.807 -4.178 1.00 0.48 C ATOM 1987 CD1 LEU A 131 2.032 -4.735 -3.926 1.00 0.34 C ATOM 1988 CD2 LEU A 131 4.042 -3.688 -2.939 1.00 1.06 C ATOM 0 H LEU A 131 6.164 -5.007 -4.151 1.00 0.29 H new ATOM 0 HA LEU A 131 3.693 -6.326 -4.655 1.00 0.29 H new ATOM 0 HB2 LEU A 131 4.926 -3.703 -5.428 1.00 0.32 H new ATOM 0 HB3 LEU A 131 3.476 -4.243 -6.250 1.00 0.32 H new ATOM 0 HG LEU A 131 2.809 -2.823 -4.441 1.00 0.48 H new ATOM 0 HD11 LEU A 131 1.431 -4.349 -3.103 1.00 0.34 H new ATOM 0 HD12 LEU A 131 1.418 -4.800 -4.824 1.00 0.34 H new ATOM 0 HD13 LEU A 131 2.405 -5.726 -3.669 1.00 0.34 H new ATOM 0 HD21 LEU A 131 3.433 -3.310 -2.118 1.00 1.06 H new ATOM 0 HD22 LEU A 131 4.440 -4.668 -2.674 1.00 1.06 H new ATOM 0 HD23 LEU A 131 4.867 -3.000 -3.126 1.00 1.06 H new ATOM 2000 N MET A 132 5.877 -6.057 -7.079 1.00 0.21 N ATOM 2001 CA MET A 132 6.257 -6.611 -8.351 1.00 0.22 C ATOM 2002 C MET A 132 6.720 -8.050 -8.165 1.00 0.26 C ATOM 2003 O MET A 132 6.969 -8.762 -9.135 1.00 0.32 O ATOM 2004 CB MET A 132 7.329 -5.747 -8.995 1.00 0.23 C ATOM 2005 CG MET A 132 8.737 -5.994 -8.487 1.00 0.26 C ATOM 2006 SD MET A 132 9.647 -7.079 -9.587 1.00 0.35 S ATOM 2007 CE MET A 132 9.111 -6.402 -11.155 1.00 0.32 C ATOM 0 H MET A 132 6.553 -5.408 -6.675 1.00 0.21 H new ATOM 0 HA MET A 132 5.398 -6.621 -9.022 1.00 0.22 H new ATOM 0 HB2 MET A 132 7.312 -5.915 -10.072 1.00 0.23 H new ATOM 0 HB3 MET A 132 7.078 -4.699 -8.831 1.00 0.23 H new ATOM 0 HG2 MET A 132 9.263 -5.044 -8.392 1.00 0.26 H new ATOM 0 HG3 MET A 132 8.694 -6.435 -7.491 1.00 0.26 H new ATOM 0 HE1 MET A 132 9.860 -6.615 -11.918 1.00 0.32 H new ATOM 0 HE2 MET A 132 8.162 -6.855 -11.442 1.00 0.32 H new ATOM 0 HE3 MET A 132 8.984 -5.323 -11.061 1.00 0.32 H new ATOM 2017 N GLU A 133 6.803 -8.487 -6.907 1.00 0.27 N ATOM 2018 CA GLU A 133 7.062 -9.881 -6.613 1.00 0.35 C ATOM 2019 C GLU A 133 5.795 -10.659 -6.906 1.00 0.34 C ATOM 2020 O GLU A 133 5.841 -11.806 -7.346 1.00 0.40 O ATOM 2021 CB GLU A 133 7.485 -10.072 -5.152 1.00 0.44 C ATOM 2022 CG GLU A 133 7.816 -11.509 -4.779 1.00 0.67 C ATOM 2023 CD GLU A 133 9.029 -12.038 -5.514 1.00 1.30 C ATOM 2024 OE1 GLU A 133 10.145 -11.540 -5.255 1.00 1.55 O ATOM 2025 OE2 GLU A 133 8.877 -12.962 -6.343 1.00 2.18 O ATOM 0 H GLU A 133 6.694 -7.892 -6.085 1.00 0.27 H new ATOM 0 HA GLU A 133 7.884 -10.242 -7.232 1.00 0.35 H new ATOM 0 HB2 GLU A 133 8.356 -9.448 -4.954 1.00 0.44 H new ATOM 0 HB3 GLU A 133 6.684 -9.716 -4.504 1.00 0.44 H new ATOM 0 HG2 GLU A 133 7.992 -11.570 -3.705 1.00 0.67 H new ATOM 0 HG3 GLU A 133 6.958 -12.144 -4.998 1.00 0.67 H new ATOM 2032 N TYR A 134 4.648 -10.013 -6.694 1.00 0.30 N ATOM 2033 CA TYR A 134 3.388 -10.617 -7.074 1.00 0.34 C ATOM 2034 C TYR A 134 3.055 -10.217 -8.509 1.00 0.36 C ATOM 2035 O TYR A 134 1.962 -10.472 -9.014 1.00 0.44 O ATOM 2036 CB TYR A 134 2.323 -10.226 -6.066 1.00 0.32 C ATOM 2037 CG TYR A 134 2.827 -10.433 -4.657 1.00 0.37 C ATOM 2038 CD1 TYR A 134 3.135 -11.698 -4.186 1.00 0.51 C ATOM 2039 CD2 TYR A 134 2.911 -9.368 -3.766 1.00 0.37 C ATOM 2040 CE1 TYR A 134 3.520 -11.899 -2.877 1.00 0.61 C ATOM 2041 CE2 TYR A 134 3.285 -9.562 -2.452 1.00 0.49 C ATOM 2042 CZ TYR A 134 3.920 -10.800 -2.128 1.00 0.57 C ATOM 2043 OH TYR A 134 3.952 -11.027 -0.701 1.00 0.74 O ATOM 0 H TYR A 134 4.573 -9.089 -6.269 1.00 0.30 H new ATOM 0 HA TYR A 134 3.446 -11.705 -7.058 1.00 0.34 H new ATOM 0 HB2 TYR A 134 2.044 -9.182 -6.209 1.00 0.32 H new ATOM 0 HB3 TYR A 134 1.424 -10.821 -6.228 1.00 0.32 H new ATOM 0 HD1 TYR A 134 3.073 -12.543 -4.856 1.00 0.51 H new ATOM 0 HD2 TYR A 134 2.679 -8.371 -4.109 1.00 0.37 H new ATOM 0 HE1 TYR A 134 3.511 -12.888 -2.444 1.00 0.61 H new ATOM 0 HE2 TYR A 134 3.105 -8.809 -1.699 1.00 0.49 H new ATOM 0 HH TYR A 134 4.243 -10.209 -0.246 1.00 0.74 H new ATOM 2053 N ASN A 135 4.060 -9.607 -9.149 1.00 0.35 N ATOM 2054 CA ASN A 135 4.035 -9.228 -10.560 1.00 0.38 C ATOM 2055 C ASN A 135 3.104 -8.056 -10.779 1.00 0.42 C ATOM 2056 O ASN A 135 2.377 -7.993 -11.771 1.00 0.59 O ATOM 2057 CB ASN A 135 3.647 -10.407 -11.467 1.00 0.47 C ATOM 2058 CG ASN A 135 4.624 -11.566 -11.381 1.00 1.19 C ATOM 2059 OD1 ASN A 135 5.808 -11.380 -11.101 1.00 1.94 O ATOM 2060 ND2 ASN A 135 4.139 -12.771 -11.632 1.00 1.89 N ATOM 0 H ASN A 135 4.934 -9.359 -8.685 1.00 0.35 H new ATOM 0 HA ASN A 135 5.047 -8.929 -10.834 1.00 0.38 H new ATOM 0 HB2 ASN A 135 2.651 -10.757 -11.194 1.00 0.47 H new ATOM 0 HB3 ASN A 135 3.591 -10.061 -12.499 1.00 0.47 H new ATOM 0 HD21 ASN A 135 4.752 -13.585 -11.597 1.00 1.89 H new ATOM 0 HD22 ASN A 135 3.152 -12.886 -11.861 1.00 1.89 H new ATOM 2067 N LEU A 136 3.125 -7.134 -9.835 1.00 0.38 N ATOM 2068 CA LEU A 136 2.426 -5.889 -9.983 1.00 0.46 C ATOM 2069 C LEU A 136 3.429 -4.769 -9.969 1.00 0.39 C ATOM 2070 O LEU A 136 3.742 -4.174 -8.935 1.00 0.43 O ATOM 2071 CB LEU A 136 1.364 -5.692 -8.922 1.00 0.62 C ATOM 2072 CG LEU A 136 0.229 -6.703 -8.956 1.00 0.89 C ATOM 2073 CD1 LEU A 136 0.532 -7.871 -8.040 1.00 1.68 C ATOM 2074 CD2 LEU A 136 -1.082 -6.042 -8.585 1.00 1.44 C ATOM 0 H LEU A 136 3.626 -7.234 -8.952 1.00 0.38 H new ATOM 0 HA LEU A 136 1.896 -5.898 -10.935 1.00 0.46 H new ATOM 0 HB2 LEU A 136 1.839 -5.733 -7.942 1.00 0.62 H new ATOM 0 HB3 LEU A 136 0.944 -4.692 -9.031 1.00 0.62 H new ATOM 0 HG LEU A 136 0.135 -7.088 -9.971 1.00 0.89 H new ATOM 0 HD11 LEU A 136 -0.291 -8.585 -8.077 1.00 1.68 H new ATOM 0 HD12 LEU A 136 1.451 -8.359 -8.365 1.00 1.68 H new ATOM 0 HD13 LEU A 136 0.654 -7.510 -7.019 1.00 1.68 H new ATOM 0 HD21 LEU A 136 -1.883 -6.781 -8.615 1.00 1.44 H new ATOM 0 HD22 LEU A 136 -1.008 -5.627 -7.580 1.00 1.44 H new ATOM 0 HD23 LEU A 136 -1.299 -5.242 -9.293 1.00 1.44 H new ATOM 2086 N VAL A 137 3.967 -4.552 -11.136 1.00 0.33 N ATOM 2087 CA VAL A 137 5.012 -3.587 -11.354 1.00 0.27 C ATOM 2088 C VAL A 137 4.512 -2.160 -11.212 1.00 0.26 C ATOM 2089 O VAL A 137 3.518 -1.769 -11.817 1.00 0.27 O ATOM 2090 CB VAL A 137 5.609 -3.776 -12.747 1.00 0.27 C ATOM 2091 CG1 VAL A 137 6.660 -2.721 -13.022 1.00 0.61 C ATOM 2092 CG2 VAL A 137 6.164 -5.176 -12.877 1.00 0.49 C ATOM 0 H VAL A 137 3.687 -5.050 -11.981 1.00 0.33 H new ATOM 0 HA VAL A 137 5.772 -3.753 -10.591 1.00 0.27 H new ATOM 0 HB VAL A 137 4.828 -3.653 -13.498 1.00 0.27 H new ATOM 0 HG11 VAL A 137 7.074 -2.871 -14.019 1.00 0.61 H new ATOM 0 HG12 VAL A 137 6.207 -1.732 -12.963 1.00 0.61 H new ATOM 0 HG13 VAL A 137 7.457 -2.800 -12.282 1.00 0.61 H new ATOM 0 HG21 VAL A 137 6.589 -5.308 -13.872 1.00 0.49 H new ATOM 0 HG22 VAL A 137 6.940 -5.331 -12.127 1.00 0.49 H new ATOM 0 HG23 VAL A 137 5.364 -5.900 -12.726 1.00 0.49 H new ATOM 2102 N PRO A 138 5.201 -1.385 -10.373 1.00 0.25 N ATOM 2103 CA PRO A 138 4.978 0.053 -10.213 1.00 0.27 C ATOM 2104 C PRO A 138 4.877 0.822 -11.518 1.00 0.30 C ATOM 2105 O PRO A 138 5.371 0.402 -12.562 1.00 0.29 O ATOM 2106 CB PRO A 138 6.235 0.507 -9.501 1.00 0.30 C ATOM 2107 CG PRO A 138 6.634 -0.653 -8.676 1.00 0.29 C ATOM 2108 CD PRO A 138 6.238 -1.883 -9.449 1.00 0.27 C ATOM 0 HA PRO A 138 4.034 0.234 -9.699 1.00 0.27 H new ATOM 0 HB2 PRO A 138 7.017 0.777 -10.210 1.00 0.30 H new ATOM 0 HB3 PRO A 138 6.046 1.386 -8.885 1.00 0.30 H new ATOM 0 HG2 PRO A 138 7.707 -0.643 -8.486 1.00 0.29 H new ATOM 0 HG3 PRO A 138 6.138 -0.628 -7.706 1.00 0.29 H new ATOM 0 HD2 PRO A 138 7.085 -2.310 -9.987 1.00 0.27 H new ATOM 0 HD3 PRO A 138 5.851 -2.663 -8.793 1.00 0.27 H new ATOM 2116 N GLU A 139 4.285 1.994 -11.413 1.00 0.35 N ATOM 2117 CA GLU A 139 4.166 2.911 -12.537 1.00 0.40 C ATOM 2118 C GLU A 139 5.421 3.758 -12.655 1.00 0.42 C ATOM 2119 O GLU A 139 5.562 4.564 -13.574 1.00 0.50 O ATOM 2120 CB GLU A 139 2.943 3.803 -12.372 1.00 0.47 C ATOM 2121 CG GLU A 139 1.648 3.151 -12.819 1.00 0.80 C ATOM 2122 CD GLU A 139 1.678 2.795 -14.289 1.00 1.49 C ATOM 2123 OE1 GLU A 139 1.319 3.652 -15.114 1.00 1.98 O ATOM 2124 OE2 GLU A 139 2.030 1.642 -14.620 1.00 2.01 O ATOM 0 H GLU A 139 3.872 2.341 -10.548 1.00 0.35 H new ATOM 0 HA GLU A 139 4.047 2.327 -13.450 1.00 0.40 H new ATOM 0 HB2 GLU A 139 2.852 4.090 -11.324 1.00 0.47 H new ATOM 0 HB3 GLU A 139 3.093 4.720 -12.942 1.00 0.47 H new ATOM 0 HG2 GLU A 139 1.472 2.251 -12.230 1.00 0.80 H new ATOM 0 HG3 GLU A 139 0.815 3.827 -12.625 1.00 0.80 H new ATOM 2131 N GLU A 140 6.307 3.606 -11.682 1.00 0.42 N ATOM 2132 CA GLU A 140 7.653 4.146 -11.788 1.00 0.44 C ATOM 2133 C GLU A 140 8.417 3.272 -12.755 1.00 0.43 C ATOM 2134 O GLU A 140 9.289 3.725 -13.491 1.00 0.51 O ATOM 2135 CB GLU A 140 8.387 4.093 -10.442 1.00 0.45 C ATOM 2136 CG GLU A 140 7.491 3.990 -9.227 1.00 0.75 C ATOM 2137 CD GLU A 140 6.698 5.247 -8.941 1.00 0.87 C ATOM 2138 OE1 GLU A 140 5.580 5.377 -9.479 1.00 1.01 O ATOM 2139 OE2 GLU A 140 7.183 6.104 -8.172 1.00 1.14 O ATOM 0 H GLU A 140 6.117 3.113 -10.810 1.00 0.42 H new ATOM 0 HA GLU A 140 7.591 5.184 -12.115 1.00 0.44 H new ATOM 0 HB2 GLU A 140 9.064 3.239 -10.448 1.00 0.45 H new ATOM 0 HB3 GLU A 140 9.003 4.987 -10.346 1.00 0.45 H new ATOM 0 HG2 GLU A 140 6.799 3.160 -9.368 1.00 0.75 H new ATOM 0 HG3 GLU A 140 8.102 3.752 -8.356 1.00 0.75 H new ATOM 2146 N TRP A 141 8.058 1.992 -12.733 1.00 0.35 N ATOM 2147 CA TRP A 141 8.832 0.975 -13.414 1.00 0.35 C ATOM 2148 C TRP A 141 8.190 0.586 -14.737 1.00 0.38 C ATOM 2149 O TRP A 141 8.874 0.140 -15.656 1.00 0.45 O ATOM 2150 CB TRP A 141 9.036 -0.239 -12.515 1.00 0.32 C ATOM 2151 CG TRP A 141 9.473 0.097 -11.106 1.00 0.29 C ATOM 2152 CD1 TRP A 141 9.788 1.327 -10.602 1.00 0.34 C ATOM 2153 CD2 TRP A 141 9.616 -0.816 -10.016 1.00 0.25 C ATOM 2154 NE1 TRP A 141 10.096 1.240 -9.276 1.00 0.31 N ATOM 2155 CE2 TRP A 141 10.004 -0.069 -8.887 1.00 0.26 C ATOM 2156 CE3 TRP A 141 9.443 -2.189 -9.889 1.00 0.23 C ATOM 2157 CZ2 TRP A 141 10.215 -0.657 -7.640 1.00 0.24 C ATOM 2158 CZ3 TRP A 141 9.649 -2.778 -8.653 1.00 0.23 C ATOM 2159 CH2 TRP A 141 10.029 -2.011 -7.536 1.00 0.23 C ATOM 0 H TRP A 141 7.233 1.640 -12.248 1.00 0.35 H new ATOM 0 HA TRP A 141 9.813 1.392 -13.641 1.00 0.35 H new ATOM 0 HB2 TRP A 141 8.105 -0.803 -12.469 1.00 0.32 H new ATOM 0 HB3 TRP A 141 9.782 -0.891 -12.969 1.00 0.32 H new ATOM 0 HD1 TRP A 141 9.793 2.243 -11.175 1.00 0.34 H new ATOM 0 HE1 TRP A 141 10.353 2.022 -8.673 1.00 0.31 H new ATOM 0 HE3 TRP A 141 9.153 -2.787 -10.740 1.00 0.23 H new ATOM 0 HZ2 TRP A 141 10.514 -0.066 -6.787 1.00 0.24 H new ATOM 0 HZ3 TRP A 141 9.516 -3.844 -8.544 1.00 0.23 H new ATOM 0 HH2 TRP A 141 10.176 -2.496 -6.583 1.00 0.23 H new ATOM 2170 N GLY A 142 6.876 0.753 -14.842 1.00 0.35 N ATOM 2171 CA GLY A 142 6.223 0.556 -16.123 1.00 0.39 C ATOM 2172 C GLY A 142 5.352 -0.673 -16.138 1.00 0.38 C ATOM 2173 O GLY A 142 5.192 -1.322 -17.172 1.00 0.45 O ATOM 0 H GLY A 142 6.258 1.018 -14.075 1.00 0.35 H new ATOM 0 HA2 GLY A 142 5.617 1.431 -16.358 1.00 0.39 H new ATOM 0 HA3 GLY A 142 6.978 0.473 -16.904 1.00 0.39 H new ATOM 2177 N GLY A 143 4.804 -0.998 -14.986 1.00 0.33 N ATOM 2178 CA GLY A 143 3.913 -2.137 -14.891 1.00 0.34 C ATOM 2179 C GLY A 143 2.472 -1.723 -14.998 1.00 0.37 C ATOM 2180 O GLY A 143 1.975 -1.458 -16.094 1.00 0.50 O ATOM 0 H GLY A 143 4.957 -0.497 -14.111 1.00 0.33 H new ATOM 0 HA2 GLY A 143 4.147 -2.850 -15.682 1.00 0.34 H new ATOM 0 HA3 GLY A 143 4.076 -2.649 -13.942 1.00 0.34 H new ATOM 2184 N ASP A 144 1.801 -1.678 -13.860 1.00 0.33 N ATOM 2185 CA ASP A 144 0.452 -1.143 -13.787 1.00 0.40 C ATOM 2186 C ASP A 144 0.019 -0.975 -12.333 1.00 0.30 C ATOM 2187 O ASP A 144 -1.151 -1.189 -11.960 1.00 0.32 O ATOM 2188 CB ASP A 144 -0.556 -2.010 -14.568 1.00 0.57 C ATOM 2189 CG ASP A 144 -0.738 -3.412 -14.006 1.00 0.93 C ATOM 2190 OD1 ASP A 144 0.265 -4.152 -13.914 1.00 1.19 O ATOM 2191 OD2 ASP A 144 -1.869 -3.767 -13.605 1.00 1.30 O ATOM 0 H ASP A 144 2.171 -2.008 -12.969 1.00 0.33 H new ATOM 0 HA ASP A 144 0.463 -0.161 -14.261 1.00 0.40 H new ATOM 0 HB2 ASP A 144 -1.522 -1.506 -14.576 1.00 0.57 H new ATOM 0 HB3 ASP A 144 -0.227 -2.086 -15.604 1.00 0.57 H new ATOM 2196 N THR A 145 0.974 -0.574 -11.510 1.00 0.25 N ATOM 2197 CA THR A 145 0.716 -0.399 -10.090 1.00 0.24 C ATOM 2198 C THR A 145 1.147 0.987 -9.609 1.00 0.24 C ATOM 2199 O THR A 145 2.333 1.319 -9.597 1.00 0.31 O ATOM 2200 CB THR A 145 1.431 -1.493 -9.285 1.00 0.25 C ATOM 2201 OG1 THR A 145 1.134 -2.763 -9.870 1.00 0.32 O ATOM 2202 CG2 THR A 145 0.989 -1.497 -7.829 1.00 0.28 C ATOM 0 H THR A 145 1.930 -0.365 -11.798 1.00 0.25 H new ATOM 0 HA THR A 145 -0.359 -0.484 -9.930 1.00 0.24 H new ATOM 0 HB THR A 145 2.503 -1.295 -9.311 1.00 0.25 H new ATOM 0 HG1 THR A 145 0.174 -2.943 -9.790 1.00 0.32 H new ATOM 0 HG21 THR A 145 1.516 -2.285 -7.291 1.00 0.28 H new ATOM 0 HG22 THR A 145 1.218 -0.532 -7.377 1.00 0.28 H new ATOM 0 HG23 THR A 145 -0.085 -1.677 -7.775 1.00 0.28 H new ATOM 2210 N ILE A 146 0.168 1.784 -9.211 1.00 0.26 N ATOM 2211 CA ILE A 146 0.401 3.167 -8.811 1.00 0.27 C ATOM 2212 C ILE A 146 0.866 3.234 -7.355 1.00 0.24 C ATOM 2213 O ILE A 146 0.084 3.007 -6.440 1.00 0.26 O ATOM 2214 CB ILE A 146 -0.877 4.032 -8.985 1.00 0.35 C ATOM 2215 CG1 ILE A 146 -1.284 4.144 -10.463 1.00 0.48 C ATOM 2216 CG2 ILE A 146 -0.674 5.419 -8.395 1.00 0.34 C ATOM 2217 CD1 ILE A 146 -1.971 2.912 -11.022 1.00 1.23 C ATOM 0 H ILE A 146 -0.808 1.494 -9.155 1.00 0.26 H new ATOM 0 HA ILE A 146 1.180 3.566 -9.460 1.00 0.27 H new ATOM 0 HB ILE A 146 -1.683 3.533 -8.447 1.00 0.35 H new ATOM 0 HG12 ILE A 146 -1.949 5.000 -10.580 1.00 0.48 H new ATOM 0 HG13 ILE A 146 -0.394 4.349 -11.057 1.00 0.48 H new ATOM 0 HG21 ILE A 146 -1.582 6.007 -8.528 1.00 0.34 H new ATOM 0 HG22 ILE A 146 -0.450 5.333 -7.332 1.00 0.34 H new ATOM 0 HG23 ILE A 146 0.156 5.912 -8.902 1.00 0.34 H new ATOM 0 HD11 ILE A 146 -2.223 3.079 -12.069 1.00 1.23 H new ATOM 0 HD12 ILE A 146 -1.303 2.055 -10.942 1.00 1.23 H new ATOM 0 HD13 ILE A 146 -2.882 2.716 -10.457 1.00 1.23 H new ATOM 2229 N PHE A 147 2.135 3.548 -7.149 1.00 0.23 N ATOM 2230 CA PHE A 147 2.708 3.589 -5.804 1.00 0.22 C ATOM 2231 C PHE A 147 2.603 4.975 -5.189 1.00 0.24 C ATOM 2232 O PHE A 147 3.268 5.911 -5.632 1.00 0.38 O ATOM 2233 CB PHE A 147 4.173 3.161 -5.836 1.00 0.23 C ATOM 2234 CG PHE A 147 4.348 1.682 -5.721 1.00 0.21 C ATOM 2235 CD1 PHE A 147 4.142 0.867 -6.819 1.00 0.20 C ATOM 2236 CD2 PHE A 147 4.743 1.107 -4.529 1.00 0.21 C ATOM 2237 CE1 PHE A 147 4.319 -0.497 -6.728 1.00 0.20 C ATOM 2238 CE2 PHE A 147 4.926 -0.258 -4.434 1.00 0.22 C ATOM 2239 CZ PHE A 147 4.632 -1.065 -5.481 1.00 0.19 C ATOM 0 H PHE A 147 2.792 3.779 -7.894 1.00 0.23 H new ATOM 0 HA PHE A 147 2.135 2.896 -5.188 1.00 0.22 H new ATOM 0 HB2 PHE A 147 4.627 3.504 -6.766 1.00 0.23 H new ATOM 0 HB3 PHE A 147 4.707 3.650 -5.021 1.00 0.23 H new ATOM 0 HD1 PHE A 147 3.839 1.304 -7.759 1.00 0.20 H new ATOM 0 HD2 PHE A 147 4.910 1.731 -3.663 1.00 0.21 H new ATOM 0 HE1 PHE A 147 4.218 -1.121 -7.604 1.00 0.20 H new ATOM 0 HE2 PHE A 147 5.306 -0.685 -3.518 1.00 0.22 H new ATOM 0 HZ PHE A 147 4.638 -2.138 -5.359 1.00 0.19 H new ATOM 2249 N CYS A 148 1.779 5.099 -4.162 1.00 0.25 N ATOM 2250 CA CYS A 148 1.686 6.335 -3.414 1.00 0.28 C ATOM 2251 C CYS A 148 2.457 6.181 -2.118 1.00 0.26 C ATOM 2252 O CYS A 148 2.134 5.324 -1.302 1.00 0.32 O ATOM 2253 CB CYS A 148 0.225 6.676 -3.100 1.00 0.30 C ATOM 2254 SG CYS A 148 -0.027 8.364 -2.499 1.00 1.10 S ATOM 0 H CYS A 148 1.165 4.356 -3.829 1.00 0.25 H new ATOM 0 HA CYS A 148 2.105 7.143 -4.013 1.00 0.28 H new ATOM 0 HB2 CYS A 148 -0.373 6.529 -4.000 1.00 0.30 H new ATOM 0 HB3 CYS A 148 -0.148 5.976 -2.352 1.00 0.30 H new ATOM 0 HG CYS A 148 -0.824 8.998 -3.307 1.00 1.10 H new ATOM 2260 N LYS A 149 3.493 6.976 -1.947 1.00 0.37 N ATOM 2261 CA LYS A 149 4.239 6.984 -0.700 1.00 0.38 C ATOM 2262 C LYS A 149 3.677 8.068 0.211 1.00 0.39 C ATOM 2263 O LYS A 149 3.944 9.255 0.027 1.00 0.47 O ATOM 2264 CB LYS A 149 5.733 7.184 -0.981 1.00 0.47 C ATOM 2265 CG LYS A 149 6.026 8.302 -1.969 1.00 0.64 C ATOM 2266 CD LYS A 149 7.503 8.382 -2.313 1.00 0.94 C ATOM 2267 CE LYS A 149 7.772 9.465 -3.346 1.00 1.57 C ATOM 2268 NZ LYS A 149 7.085 9.188 -4.638 1.00 2.44 N ATOM 0 H LYS A 149 3.839 7.625 -2.653 1.00 0.37 H new ATOM 0 HA LYS A 149 4.133 6.025 -0.192 1.00 0.38 H new ATOM 0 HB2 LYS A 149 6.245 7.398 -0.042 1.00 0.47 H new ATOM 0 HB3 LYS A 149 6.149 6.253 -1.366 1.00 0.47 H new ATOM 0 HG2 LYS A 149 5.449 8.142 -2.880 1.00 0.64 H new ATOM 0 HG3 LYS A 149 5.699 9.253 -1.548 1.00 0.64 H new ATOM 0 HD2 LYS A 149 8.078 8.587 -1.410 1.00 0.94 H new ATOM 0 HD3 LYS A 149 7.842 7.419 -2.696 1.00 0.94 H new ATOM 0 HE2 LYS A 149 7.439 10.427 -2.957 1.00 1.57 H new ATOM 0 HE3 LYS A 149 8.846 9.545 -3.516 1.00 1.57 H new ATOM 0 HZ1 LYS A 149 7.486 9.794 -5.382 1.00 2.44 H new ATOM 0 HZ2 LYS A 149 7.220 8.189 -4.896 1.00 2.44 H new ATOM 0 HZ3 LYS A 149 6.069 9.386 -4.540 1.00 2.44 H new ATOM 2282 N LEU A 150 2.872 7.660 1.179 1.00 0.40 N ATOM 2283 CA LEU A 150 2.086 8.615 1.947 1.00 0.45 C ATOM 2284 C LEU A 150 2.208 8.432 3.453 1.00 0.45 C ATOM 2285 O LEU A 150 2.851 7.510 3.952 1.00 0.49 O ATOM 2286 CB LEU A 150 0.608 8.503 1.582 1.00 0.60 C ATOM 2287 CG LEU A 150 -0.043 7.160 1.891 1.00 0.49 C ATOM 2288 CD1 LEU A 150 -1.425 7.364 2.486 1.00 1.25 C ATOM 2289 CD2 LEU A 150 -0.129 6.326 0.630 1.00 1.27 C ATOM 0 H LEU A 150 2.745 6.685 1.450 1.00 0.40 H new ATOM 0 HA LEU A 150 2.488 9.595 1.690 1.00 0.45 H new ATOM 0 HB2 LEU A 150 0.061 9.283 2.111 1.00 0.60 H new ATOM 0 HB3 LEU A 150 0.498 8.704 0.516 1.00 0.60 H new ATOM 0 HG LEU A 150 0.570 6.632 2.622 1.00 0.49 H new ATOM 0 HD11 LEU A 150 -1.875 6.395 2.701 1.00 1.25 H new ATOM 0 HD12 LEU A 150 -1.343 7.938 3.409 1.00 1.25 H new ATOM 0 HD13 LEU A 150 -2.050 7.906 1.776 1.00 1.25 H new ATOM 0 HD21 LEU A 150 -0.595 5.368 0.859 1.00 1.27 H new ATOM 0 HD22 LEU A 150 -0.727 6.852 -0.114 1.00 1.27 H new ATOM 0 HD23 LEU A 150 0.873 6.157 0.236 1.00 1.27 H new ATOM 2301 N SER A 151 1.546 9.339 4.152 1.00 0.49 N ATOM 2302 CA SER A 151 1.381 9.278 5.588 1.00 0.55 C ATOM 2303 C SER A 151 0.031 9.885 5.962 1.00 0.57 C ATOM 2304 O SER A 151 -0.222 11.064 5.699 1.00 0.60 O ATOM 2305 CB SER A 151 2.514 10.008 6.283 1.00 0.66 C ATOM 2306 OG SER A 151 3.742 9.311 6.152 1.00 1.79 O ATOM 0 H SER A 151 1.101 10.152 3.726 1.00 0.49 H new ATOM 0 HA SER A 151 1.407 8.238 5.915 1.00 0.55 H new ATOM 0 HB2 SER A 151 2.616 11.008 5.862 1.00 0.66 H new ATOM 0 HB3 SER A 151 2.275 10.130 7.339 1.00 0.66 H new ATOM 0 HG SER A 151 3.621 8.546 5.552 1.00 1.79 H new ATOM 2312 N ALA A 152 -0.841 9.068 6.540 1.00 0.62 N ATOM 2313 CA ALA A 152 -2.214 9.477 6.838 1.00 0.70 C ATOM 2314 C ALA A 152 -2.278 10.580 7.892 1.00 0.74 C ATOM 2315 O ALA A 152 -3.234 11.350 7.930 1.00 0.87 O ATOM 2316 CB ALA A 152 -3.032 8.278 7.290 1.00 0.86 C ATOM 0 H ALA A 152 -0.622 8.110 6.815 1.00 0.62 H new ATOM 0 HA ALA A 152 -2.635 9.883 5.918 1.00 0.70 H new ATOM 0 HB1 ALA A 152 -4.052 8.595 7.509 1.00 0.86 H new ATOM 0 HB2 ALA A 152 -3.047 7.529 6.499 1.00 0.86 H new ATOM 0 HB3 ALA A 152 -2.585 7.850 8.187 1.00 0.86 H new ATOM 2322 N LYS A 153 -1.256 10.664 8.726 1.00 0.77 N ATOM 2323 CA LYS A 153 -1.226 11.642 9.798 1.00 0.93 C ATOM 2324 C LYS A 153 -0.960 13.023 9.236 1.00 0.86 C ATOM 2325 O LYS A 153 -1.732 13.961 9.430 1.00 0.96 O ATOM 2326 CB LYS A 153 -0.136 11.273 10.802 1.00 1.13 C ATOM 2327 CG LYS A 153 1.180 10.850 10.165 1.00 1.19 C ATOM 2328 CD LYS A 153 2.316 10.833 11.171 1.00 1.68 C ATOM 2329 CE LYS A 153 2.022 9.930 12.358 1.00 2.31 C ATOM 2330 NZ LYS A 153 3.151 9.918 13.326 1.00 3.03 N ATOM 0 H LYS A 153 -0.433 10.063 8.680 1.00 0.77 H new ATOM 0 HA LYS A 153 -2.193 11.646 10.301 1.00 0.93 H new ATOM 0 HB2 LYS A 153 0.047 12.127 11.454 1.00 1.13 H new ATOM 0 HB3 LYS A 153 -0.499 10.462 11.434 1.00 1.13 H new ATOM 0 HG2 LYS A 153 1.069 9.858 9.726 1.00 1.19 H new ATOM 0 HG3 LYS A 153 1.426 11.533 9.352 1.00 1.19 H new ATOM 0 HD2 LYS A 153 3.229 10.497 10.679 1.00 1.68 H new ATOM 0 HD3 LYS A 153 2.500 11.847 11.526 1.00 1.68 H new ATOM 0 HE2 LYS A 153 1.115 10.269 12.859 1.00 2.31 H new ATOM 0 HE3 LYS A 153 1.832 8.916 12.007 1.00 2.31 H new ATOM 0 HZ1 LYS A 153 2.918 9.292 14.123 1.00 3.03 H new ATOM 0 HZ2 LYS A 153 4.010 9.571 12.853 1.00 3.03 H new ATOM 0 HZ3 LYS A 153 3.316 10.882 13.679 1.00 3.03 H new ATOM 2344 N THR A 154 0.139 13.111 8.526 1.00 0.78 N ATOM 2345 CA THR A 154 0.592 14.356 7.945 1.00 0.81 C ATOM 2346 C THR A 154 -0.266 14.780 6.752 1.00 0.73 C ATOM 2347 O THR A 154 -0.150 15.906 6.266 1.00 0.82 O ATOM 2348 CB THR A 154 2.062 14.237 7.524 1.00 0.89 C ATOM 2349 OG1 THR A 154 2.261 12.985 6.857 1.00 1.19 O ATOM 2350 CG2 THR A 154 2.985 14.324 8.731 1.00 1.20 C ATOM 0 H THR A 154 0.749 12.317 8.333 1.00 0.78 H new ATOM 0 HA THR A 154 0.493 15.128 8.708 1.00 0.81 H new ATOM 0 HB THR A 154 2.300 15.062 6.852 1.00 0.89 H new ATOM 0 HG1 THR A 154 3.174 12.945 6.502 1.00 1.19 H new ATOM 0 HG21 THR A 154 4.021 14.237 8.404 1.00 1.20 H new ATOM 0 HG22 THR A 154 2.842 15.282 9.230 1.00 1.20 H new ATOM 0 HG23 THR A 154 2.754 13.515 9.425 1.00 1.20 H new ATOM 2358 N LYS A 155 -1.104 13.854 6.270 1.00 0.65 N ATOM 2359 CA LYS A 155 -2.092 14.136 5.218 1.00 0.67 C ATOM 2360 C LYS A 155 -1.427 14.337 3.853 1.00 0.66 C ATOM 2361 O LYS A 155 -2.103 14.606 2.858 1.00 0.86 O ATOM 2362 CB LYS A 155 -2.911 15.381 5.575 1.00 0.86 C ATOM 2363 CG LYS A 155 -4.407 15.194 5.435 1.00 1.27 C ATOM 2364 CD LYS A 155 -4.941 14.238 6.482 1.00 1.12 C ATOM 2365 CE LYS A 155 -6.453 14.129 6.412 1.00 1.39 C ATOM 2366 NZ LYS A 155 -7.127 15.421 6.715 1.00 2.27 N ATOM 0 H LYS A 155 -1.117 12.888 6.597 1.00 0.65 H new ATOM 0 HA LYS A 155 -2.750 13.270 5.152 1.00 0.67 H new ATOM 0 HB2 LYS A 155 -2.686 15.670 6.602 1.00 0.86 H new ATOM 0 HB3 LYS A 155 -2.597 16.206 4.936 1.00 0.86 H new ATOM 0 HG2 LYS A 155 -4.907 16.158 5.530 1.00 1.27 H new ATOM 0 HG3 LYS A 155 -4.637 14.813 4.440 1.00 1.27 H new ATOM 0 HD2 LYS A 155 -4.497 13.253 6.338 1.00 1.12 H new ATOM 0 HD3 LYS A 155 -4.645 14.580 7.474 1.00 1.12 H new ATOM 0 HE2 LYS A 155 -6.745 13.794 5.417 1.00 1.39 H new ATOM 0 HE3 LYS A 155 -6.793 13.370 7.117 1.00 1.39 H new ATOM 0 HZ1 LYS A 155 -8.075 15.236 7.101 1.00 2.27 H new ATOM 0 HZ2 LYS A 155 -6.566 15.950 7.413 1.00 2.27 H new ATOM 0 HZ3 LYS A 155 -7.212 15.981 5.843 1.00 2.27 H new ATOM 2380 N GLU A 156 -0.114 14.175 3.814 1.00 0.62 N ATOM 2381 CA GLU A 156 0.680 14.439 2.613 1.00 0.66 C ATOM 2382 C GLU A 156 0.220 13.576 1.439 1.00 0.59 C ATOM 2383 O GLU A 156 -0.425 14.052 0.494 1.00 0.58 O ATOM 2384 CB GLU A 156 2.157 14.165 2.921 1.00 0.75 C ATOM 2385 CG GLU A 156 2.656 14.911 4.148 1.00 1.13 C ATOM 2386 CD GLU A 156 4.035 14.470 4.590 1.00 1.78 C ATOM 2387 OE1 GLU A 156 4.175 13.331 5.085 1.00 2.64 O ATOM 2388 OE2 GLU A 156 4.991 15.248 4.405 1.00 2.03 O ATOM 0 H GLU A 156 0.436 13.857 4.612 1.00 0.62 H new ATOM 0 HA GLU A 156 0.545 15.482 2.327 1.00 0.66 H new ATOM 0 HB2 GLU A 156 2.299 13.095 3.071 1.00 0.75 H new ATOM 0 HB3 GLU A 156 2.761 14.449 2.059 1.00 0.75 H new ATOM 0 HG2 GLU A 156 2.674 15.980 3.934 1.00 1.13 H new ATOM 0 HG3 GLU A 156 1.953 14.762 4.968 1.00 1.13 H new ATOM 2395 N GLY A 157 0.532 12.297 1.527 1.00 0.62 N ATOM 2396 CA GLY A 157 0.218 11.377 0.467 1.00 0.61 C ATOM 2397 C GLY A 157 -1.264 11.111 0.314 1.00 0.48 C ATOM 2398 O GLY A 157 -1.678 10.471 -0.645 1.00 0.46 O ATOM 0 H GLY A 157 1.004 11.877 2.327 1.00 0.62 H new ATOM 0 HA2 GLY A 157 0.607 11.771 -0.472 1.00 0.61 H new ATOM 0 HA3 GLY A 157 0.731 10.433 0.653 1.00 0.61 H new ATOM 2402 N LEU A 158 -2.069 11.581 1.259 1.00 0.48 N ATOM 2403 CA LEU A 158 -3.509 11.406 1.173 1.00 0.50 C ATOM 2404 C LEU A 158 -4.077 12.266 0.060 1.00 0.46 C ATOM 2405 O LEU A 158 -4.920 11.819 -0.721 1.00 0.51 O ATOM 2406 CB LEU A 158 -4.173 11.747 2.505 1.00 0.62 C ATOM 2407 CG LEU A 158 -4.024 10.684 3.591 1.00 0.83 C ATOM 2408 CD1 LEU A 158 -4.751 11.112 4.853 1.00 1.55 C ATOM 2409 CD2 LEU A 158 -4.556 9.348 3.100 1.00 1.27 C ATOM 0 H LEU A 158 -1.750 12.083 2.088 1.00 0.48 H new ATOM 0 HA LEU A 158 -3.718 10.361 0.946 1.00 0.50 H new ATOM 0 HB2 LEU A 158 -3.754 12.683 2.874 1.00 0.62 H new ATOM 0 HB3 LEU A 158 -5.235 11.920 2.331 1.00 0.62 H new ATOM 0 HG LEU A 158 -2.965 10.571 3.823 1.00 0.83 H new ATOM 0 HD11 LEU A 158 -4.635 10.344 5.618 1.00 1.55 H new ATOM 0 HD12 LEU A 158 -4.330 12.050 5.215 1.00 1.55 H new ATOM 0 HD13 LEU A 158 -5.810 11.250 4.634 1.00 1.55 H new ATOM 0 HD21 LEU A 158 -4.443 8.601 3.885 1.00 1.27 H new ATOM 0 HD22 LEU A 158 -5.611 9.448 2.844 1.00 1.27 H new ATOM 0 HD23 LEU A 158 -3.997 9.035 2.218 1.00 1.27 H new ATOM 2421 N ASP A 159 -3.592 13.497 -0.021 1.00 0.48 N ATOM 2422 CA ASP A 159 -3.963 14.394 -1.103 1.00 0.57 C ATOM 2423 C ASP A 159 -3.483 13.822 -2.425 1.00 0.50 C ATOM 2424 O ASP A 159 -4.223 13.780 -3.407 1.00 0.52 O ATOM 2425 CB ASP A 159 -3.358 15.781 -0.882 1.00 0.73 C ATOM 2426 CG ASP A 159 -3.713 16.756 -1.987 1.00 1.54 C ATOM 2427 OD1 ASP A 159 -2.955 16.848 -2.978 1.00 2.50 O ATOM 2428 OD2 ASP A 159 -4.741 17.454 -1.859 1.00 1.58 O ATOM 0 H ASP A 159 -2.939 13.897 0.653 1.00 0.48 H new ATOM 0 HA ASP A 159 -5.048 14.491 -1.123 1.00 0.57 H new ATOM 0 HB2 ASP A 159 -3.706 16.177 0.072 1.00 0.73 H new ATOM 0 HB3 ASP A 159 -2.274 15.694 -0.815 1.00 0.73 H new ATOM 2433 N HIS A 160 -2.241 13.345 -2.430 1.00 0.47 N ATOM 2434 CA HIS A 160 -1.656 12.769 -3.638 1.00 0.46 C ATOM 2435 C HIS A 160 -2.352 11.462 -4.026 1.00 0.41 C ATOM 2436 O HIS A 160 -2.348 11.068 -5.193 1.00 0.43 O ATOM 2437 CB HIS A 160 -0.154 12.538 -3.450 1.00 0.50 C ATOM 2438 CG HIS A 160 0.527 12.022 -4.681 1.00 0.56 C ATOM 2439 ND1 HIS A 160 0.564 12.721 -5.870 1.00 0.67 N ATOM 2440 CD2 HIS A 160 1.182 10.861 -4.912 1.00 0.59 C ATOM 2441 CE1 HIS A 160 1.217 12.013 -6.772 1.00 0.73 C ATOM 2442 NE2 HIS A 160 1.600 10.881 -6.215 1.00 0.67 N ATOM 0 H HIS A 160 -1.624 13.345 -1.618 1.00 0.47 H new ATOM 0 HA HIS A 160 -1.803 13.481 -4.450 1.00 0.46 H new ATOM 0 HB2 HIS A 160 0.315 13.475 -3.150 1.00 0.50 H new ATOM 0 HB3 HIS A 160 -0.002 11.830 -2.636 1.00 0.50 H new ATOM 0 HD1 HIS A 160 0.151 13.641 -6.027 1.00 0.67 H new ATOM 0 HD2 HIS A 160 1.345 10.066 -4.200 1.00 0.59 H new ATOM 0 HE1 HIS A 160 1.406 12.310 -7.793 1.00 0.73 H new ATOM 2451 N LEU A 161 -2.955 10.799 -3.049 1.00 0.39 N ATOM 2452 CA LEU A 161 -3.662 9.552 -3.302 1.00 0.39 C ATOM 2453 C LEU A 161 -4.882 9.805 -4.175 1.00 0.39 C ATOM 2454 O LEU A 161 -5.077 9.138 -5.191 1.00 0.42 O ATOM 2455 CB LEU A 161 -4.082 8.891 -1.987 1.00 0.41 C ATOM 2456 CG LEU A 161 -4.798 7.550 -2.139 1.00 0.51 C ATOM 2457 CD1 LEU A 161 -3.908 6.548 -2.851 1.00 0.91 C ATOM 2458 CD2 LEU A 161 -5.217 7.019 -0.779 1.00 0.88 C ATOM 0 H LEU A 161 -2.969 11.103 -2.076 1.00 0.39 H new ATOM 0 HA LEU A 161 -2.987 8.876 -3.827 1.00 0.39 H new ATOM 0 HB2 LEU A 161 -3.194 8.744 -1.372 1.00 0.41 H new ATOM 0 HB3 LEU A 161 -4.735 9.576 -1.446 1.00 0.41 H new ATOM 0 HG LEU A 161 -5.693 7.702 -2.743 1.00 0.51 H new ATOM 0 HD11 LEU A 161 -4.435 5.599 -2.950 1.00 0.91 H new ATOM 0 HD12 LEU A 161 -3.653 6.927 -3.841 1.00 0.91 H new ATOM 0 HD13 LEU A 161 -2.995 6.398 -2.274 1.00 0.91 H new ATOM 0 HD21 LEU A 161 -5.726 6.063 -0.903 1.00 0.88 H new ATOM 0 HD22 LEU A 161 -4.334 6.882 -0.154 1.00 0.88 H new ATOM 0 HD23 LEU A 161 -5.892 7.730 -0.303 1.00 0.88 H new ATOM 2470 N LEU A 162 -5.689 10.788 -3.780 1.00 0.40 N ATOM 2471 CA LEU A 162 -6.861 11.187 -4.552 1.00 0.44 C ATOM 2472 C LEU A 162 -6.462 11.548 -5.978 1.00 0.45 C ATOM 2473 O LEU A 162 -7.191 11.249 -6.923 1.00 0.48 O ATOM 2474 CB LEU A 162 -7.539 12.382 -3.883 1.00 0.50 C ATOM 2475 CG LEU A 162 -8.014 12.144 -2.448 1.00 0.69 C ATOM 2476 CD1 LEU A 162 -8.594 13.420 -1.856 1.00 1.05 C ATOM 2477 CD2 LEU A 162 -9.041 11.018 -2.399 1.00 1.06 C ATOM 0 H LEU A 162 -5.550 11.325 -2.924 1.00 0.40 H new ATOM 0 HA LEU A 162 -7.559 10.350 -4.587 1.00 0.44 H new ATOM 0 HB2 LEU A 162 -6.843 13.221 -3.884 1.00 0.50 H new ATOM 0 HB3 LEU A 162 -8.396 12.678 -4.488 1.00 0.50 H new ATOM 0 HG LEU A 162 -7.152 11.848 -1.850 1.00 0.69 H new ATOM 0 HD11 LEU A 162 -8.926 13.229 -0.835 1.00 1.05 H new ATOM 0 HD12 LEU A 162 -7.831 14.198 -1.850 1.00 1.05 H new ATOM 0 HD13 LEU A 162 -9.442 13.748 -2.458 1.00 1.05 H new ATOM 0 HD21 LEU A 162 -9.365 10.866 -1.369 1.00 1.06 H new ATOM 0 HD22 LEU A 162 -9.901 11.283 -3.015 1.00 1.06 H new ATOM 0 HD23 LEU A 162 -8.592 10.100 -2.778 1.00 1.06 H new ATOM 2489 N GLU A 163 -5.290 12.174 -6.125 1.00 0.46 N ATOM 2490 CA GLU A 163 -4.770 12.540 -7.442 1.00 0.52 C ATOM 2491 C GLU A 163 -4.605 11.302 -8.314 1.00 0.51 C ATOM 2492 O GLU A 163 -5.093 11.251 -9.440 1.00 0.56 O ATOM 2493 CB GLU A 163 -3.415 13.242 -7.336 1.00 0.62 C ATOM 2494 CG GLU A 163 -3.425 14.508 -6.504 1.00 1.06 C ATOM 2495 CD GLU A 163 -2.139 15.292 -6.657 1.00 1.75 C ATOM 2496 OE1 GLU A 163 -1.092 14.852 -6.126 1.00 2.49 O ATOM 2497 OE2 GLU A 163 -2.159 16.341 -7.335 1.00 1.97 O ATOM 0 H GLU A 163 -4.685 12.437 -5.347 1.00 0.46 H new ATOM 0 HA GLU A 163 -5.492 13.223 -7.891 1.00 0.52 H new ATOM 0 HB2 GLU A 163 -2.693 12.547 -6.908 1.00 0.62 H new ATOM 0 HB3 GLU A 163 -3.067 13.485 -8.340 1.00 0.62 H new ATOM 0 HG2 GLU A 163 -4.268 15.131 -6.801 1.00 1.06 H new ATOM 0 HG3 GLU A 163 -3.572 14.252 -5.455 1.00 1.06 H new ATOM 2504 N MET A 164 -3.918 10.304 -7.770 1.00 0.49 N ATOM 2505 CA MET A 164 -3.623 9.077 -8.501 1.00 0.52 C ATOM 2506 C MET A 164 -4.902 8.311 -8.810 1.00 0.51 C ATOM 2507 O MET A 164 -5.070 7.774 -9.904 1.00 0.57 O ATOM 2508 CB MET A 164 -2.661 8.202 -7.697 1.00 0.53 C ATOM 2509 CG MET A 164 -1.322 8.862 -7.387 1.00 0.68 C ATOM 2510 SD MET A 164 -0.273 9.101 -8.845 1.00 0.87 S ATOM 2511 CE MET A 164 -1.004 10.548 -9.614 1.00 0.67 C ATOM 0 H MET A 164 -3.552 10.321 -6.818 1.00 0.49 H new ATOM 0 HA MET A 164 -3.150 9.345 -9.445 1.00 0.52 H new ATOM 0 HB2 MET A 164 -3.141 7.922 -6.759 1.00 0.53 H new ATOM 0 HB3 MET A 164 -2.479 7.280 -8.249 1.00 0.53 H new ATOM 0 HG2 MET A 164 -1.504 9.829 -6.918 1.00 0.68 H new ATOM 0 HG3 MET A 164 -0.786 8.252 -6.661 1.00 0.68 H new ATOM 0 HE1 MET A 164 -0.217 11.171 -10.039 1.00 0.67 H new ATOM 0 HE2 MET A 164 -1.685 10.235 -10.405 1.00 0.67 H new ATOM 0 HE3 MET A 164 -1.554 11.119 -8.866 1.00 0.67 H new ATOM 2521 N ILE A 165 -5.803 8.276 -7.834 1.00 0.48 N ATOM 2522 CA ILE A 165 -7.095 7.648 -7.991 1.00 0.51 C ATOM 2523 C ILE A 165 -7.869 8.302 -9.145 1.00 0.58 C ATOM 2524 O ILE A 165 -8.332 7.626 -10.066 1.00 0.64 O ATOM 2525 CB ILE A 165 -7.895 7.793 -6.680 1.00 0.50 C ATOM 2526 CG1 ILE A 165 -7.286 6.921 -5.579 1.00 0.48 C ATOM 2527 CG2 ILE A 165 -9.350 7.452 -6.893 1.00 0.59 C ATOM 2528 CD1 ILE A 165 -7.931 7.117 -4.225 1.00 0.50 C ATOM 0 H ILE A 165 -5.650 8.685 -6.912 1.00 0.48 H new ATOM 0 HA ILE A 165 -6.953 6.592 -8.220 1.00 0.51 H new ATOM 0 HB ILE A 165 -7.839 8.834 -6.362 1.00 0.50 H new ATOM 0 HG12 ILE A 165 -7.375 5.873 -5.866 1.00 0.48 H new ATOM 0 HG13 ILE A 165 -6.221 7.141 -5.500 1.00 0.48 H new ATOM 0 HG21 ILE A 165 -9.891 7.562 -5.953 1.00 0.59 H new ATOM 0 HG22 ILE A 165 -9.776 8.124 -7.638 1.00 0.59 H new ATOM 0 HG23 ILE A 165 -9.435 6.423 -7.242 1.00 0.59 H new ATOM 0 HD11 ILE A 165 -7.449 6.467 -3.495 1.00 0.50 H new ATOM 0 HD12 ILE A 165 -7.819 8.156 -3.916 1.00 0.50 H new ATOM 0 HD13 ILE A 165 -8.991 6.869 -4.287 1.00 0.50 H new ATOM 2540 N LEU A 166 -7.992 9.631 -9.083 1.00 0.61 N ATOM 2541 CA LEU A 166 -8.683 10.405 -10.108 1.00 0.72 C ATOM 2542 C LEU A 166 -8.028 10.235 -11.468 1.00 0.72 C ATOM 2543 O LEU A 166 -8.713 10.076 -12.478 1.00 0.81 O ATOM 2544 CB LEU A 166 -8.677 11.881 -9.737 1.00 0.82 C ATOM 2545 CG LEU A 166 -9.580 12.263 -8.566 1.00 0.98 C ATOM 2546 CD1 LEU A 166 -9.344 13.709 -8.164 1.00 1.81 C ATOM 2547 CD2 LEU A 166 -11.040 12.044 -8.931 1.00 1.48 C ATOM 0 H LEU A 166 -7.615 10.196 -8.322 1.00 0.61 H new ATOM 0 HA LEU A 166 -9.707 10.036 -10.166 1.00 0.72 H new ATOM 0 HB2 LEU A 166 -7.655 12.174 -9.497 1.00 0.82 H new ATOM 0 HB3 LEU A 166 -8.978 12.460 -10.610 1.00 0.82 H new ATOM 0 HG LEU A 166 -9.336 11.625 -7.717 1.00 0.98 H new ATOM 0 HD11 LEU A 166 -9.995 13.965 -7.328 1.00 1.81 H new ATOM 0 HD12 LEU A 166 -8.304 13.839 -7.866 1.00 1.81 H new ATOM 0 HD13 LEU A 166 -9.564 14.362 -9.009 1.00 1.81 H new ATOM 0 HD21 LEU A 166 -11.672 12.321 -8.087 1.00 1.48 H new ATOM 0 HD22 LEU A 166 -11.296 12.660 -9.793 1.00 1.48 H new ATOM 0 HD23 LEU A 166 -11.200 10.994 -9.175 1.00 1.48 H new ATOM 2559 N LEU A 167 -6.700 10.289 -11.487 1.00 0.69 N ATOM 2560 CA LEU A 167 -5.943 10.118 -12.715 1.00 0.79 C ATOM 2561 C LEU A 167 -6.335 8.818 -13.396 1.00 0.87 C ATOM 2562 O LEU A 167 -6.638 8.797 -14.583 1.00 1.02 O ATOM 2563 CB LEU A 167 -4.439 10.123 -12.424 1.00 0.84 C ATOM 2564 CG LEU A 167 -3.534 9.937 -13.648 1.00 1.06 C ATOM 2565 CD1 LEU A 167 -3.693 11.099 -14.616 1.00 1.42 C ATOM 2566 CD2 LEU A 167 -2.083 9.795 -13.217 1.00 1.41 C ATOM 0 H LEU A 167 -6.126 10.451 -10.659 1.00 0.69 H new ATOM 0 HA LEU A 167 -6.173 10.951 -13.380 1.00 0.79 H new ATOM 0 HB2 LEU A 167 -4.182 11.067 -11.943 1.00 0.84 H new ATOM 0 HB3 LEU A 167 -4.222 9.330 -11.708 1.00 0.84 H new ATOM 0 HG LEU A 167 -3.834 9.023 -14.161 1.00 1.06 H new ATOM 0 HD11 LEU A 167 -3.042 10.947 -15.477 1.00 1.42 H new ATOM 0 HD12 LEU A 167 -4.729 11.155 -14.950 1.00 1.42 H new ATOM 0 HD13 LEU A 167 -3.422 12.029 -14.116 1.00 1.42 H new ATOM 0 HD21 LEU A 167 -1.453 9.664 -14.097 1.00 1.41 H new ATOM 0 HD22 LEU A 167 -1.774 10.692 -12.680 1.00 1.41 H new ATOM 0 HD23 LEU A 167 -1.980 8.928 -12.565 1.00 1.41 H new ATOM 2578 N VAL A 168 -6.375 7.742 -12.620 1.00 0.83 N ATOM 2579 CA VAL A 168 -6.687 6.430 -13.143 1.00 0.96 C ATOM 2580 C VAL A 168 -8.170 6.308 -13.488 1.00 1.01 C ATOM 2581 O VAL A 168 -8.547 5.513 -14.342 1.00 1.14 O ATOM 2582 CB VAL A 168 -6.263 5.341 -12.136 1.00 1.03 C ATOM 2583 CG1 VAL A 168 -6.824 3.988 -12.512 1.00 1.17 C ATOM 2584 CG2 VAL A 168 -4.749 5.276 -12.060 1.00 1.14 C ATOM 0 H VAL A 168 -6.192 7.760 -11.617 1.00 0.83 H new ATOM 0 HA VAL A 168 -6.125 6.288 -14.066 1.00 0.96 H new ATOM 0 HB VAL A 168 -6.667 5.607 -11.159 1.00 1.03 H new ATOM 0 HG11 VAL A 168 -6.505 3.246 -11.780 1.00 1.17 H new ATOM 0 HG12 VAL A 168 -7.913 4.037 -12.528 1.00 1.17 H new ATOM 0 HG13 VAL A 168 -6.459 3.705 -13.499 1.00 1.17 H new ATOM 0 HG21 VAL A 168 -4.453 4.506 -11.348 1.00 1.14 H new ATOM 0 HG22 VAL A 168 -4.345 5.035 -13.043 1.00 1.14 H new ATOM 0 HG23 VAL A 168 -4.359 6.240 -11.734 1.00 1.14 H new