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 115 ASN : amide:sc= -0.582! C(o=1.4!,f=-12!) USER MOD Set 1.2: A 116 LYS NZ :NH3+ -179:sc= 2.02 (180deg=0.957) USER MOD Set 2.1: A 19 HIS : no HD1:sc= -2.46 K(o=-2.5,f=-7!) USER MOD Set 2.2: A 96 THR OG1 : rot -130:sc= 0 USER MOD Set 3.1: A 16 HIS : no HD1:sc= -2.79! C(o=-3!,f=-8.6!) USER MOD Set 3.2: A 95 GLN : amide:sc= -0.23 K(o=-3,f=-4.7!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -169:sc= 0 (180deg=-0.0979) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0315 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HE2:sc= 0.5 K(o=0.5,f=-2.4!) USER MOD Single : A 31 SER OG : rot 61:sc= 0.579 USER MOD Single : A 48 TYR OH : rot 118:sc= -1.51! USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 158:sc= -0.533 (180deg=-2.18!) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 HIS : no HD1:sc= -0.0115 X(o=-0.011,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 MET CE :methyl 136:sc= -0.557 (180deg=-1.57) USER MOD Single : A 123 ASN : amide:sc= 0.81 K(o=0.81,f=-4.8!) USER MOD Single : A 128 MET CE :methyl -160:sc= -2.06 (180deg=-2.85) USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 MET CE :methyl 156:sc= -2.93! (180deg=-6.27!) USER MOD Single : A 134 TYR OH : rot 180:sc= -0.194 USER MOD Single : A 135 ASN : amide:sc= -0.0365 X(o=-0.036,f=-0.28) USER MOD Single : A 145 THR OG1 : rot -70:sc= -2.82! USER MOD Single : A 148 CYS SG : rot -120:sc=-0.000659 USER MOD Single : A 149 LYS NZ :NH3+ -156:sc= -0.625 (180deg=-1.41) USER MOD Single : A 151 SER OG : rot 180:sc= 0.453 USER MOD Single : A 153 LYS NZ :NH3+ -162:sc= -0.0523 (180deg=-0.414) USER MOD Single : A 154 THR OG1 : rot 179:sc= 0.91 USER MOD Single : A 155 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0154) USER MOD Single : A 160 HIS : no HD1:sc= -0.814 K(o=-0.81,f=-1.5) USER MOD Single : A 164 MET CE :methyl -131:sc= -0.553 (180deg=-2.04!) USER MOD ----------------------------------------------------------------- ATOM 155 N VAL A 11 -14.494 3.053 -5.703 1.00 0.67 N ATOM 156 CA VAL A 11 -13.204 2.465 -5.425 1.00 0.60 C ATOM 157 C VAL A 11 -13.267 1.456 -4.274 1.00 0.56 C ATOM 158 O VAL A 11 -13.841 1.742 -3.218 1.00 0.74 O ATOM 159 CB VAL A 11 -12.214 3.595 -5.089 1.00 0.61 C ATOM 160 CG1 VAL A 11 -10.942 3.044 -4.504 1.00 1.00 C ATOM 161 CG2 VAL A 11 -11.920 4.432 -6.327 1.00 0.98 C ATOM 0 HA VAL A 11 -12.874 1.917 -6.308 1.00 0.60 H new ATOM 0 HB VAL A 11 -12.675 4.238 -4.339 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -10.261 3.864 -4.276 1.00 1.00 H new ATOM 0 HG12 VAL A 11 -11.169 2.497 -3.589 1.00 1.00 H new ATOM 0 HG13 VAL A 11 -10.473 2.372 -5.222 1.00 1.00 H new ATOM 0 HG21 VAL A 11 -11.219 5.226 -6.071 1.00 0.98 H new ATOM 0 HG22 VAL A 11 -11.485 3.798 -7.100 1.00 0.98 H new ATOM 0 HG23 VAL A 11 -12.846 4.872 -6.697 1.00 0.98 H new ATOM 171 N THR A 12 -12.678 0.282 -4.486 1.00 0.46 N ATOM 172 CA THR A 12 -12.586 -0.737 -3.448 1.00 0.45 C ATOM 173 C THR A 12 -11.216 -0.687 -2.758 1.00 0.39 C ATOM 174 O THR A 12 -10.193 -1.037 -3.351 1.00 0.43 O ATOM 175 CB THR A 12 -12.809 -2.146 -4.041 1.00 0.55 C ATOM 176 OG1 THR A 12 -14.046 -2.186 -4.767 1.00 0.66 O ATOM 177 CG2 THR A 12 -12.835 -3.202 -2.943 1.00 0.62 C ATOM 0 H THR A 12 -12.255 0.013 -5.374 1.00 0.46 H new ATOM 0 HA THR A 12 -13.365 -0.532 -2.713 1.00 0.45 H new ATOM 0 HB THR A 12 -11.981 -2.361 -4.716 1.00 0.55 H new ATOM 0 HG1 THR A 12 -14.177 -3.083 -5.140 1.00 0.66 H new ATOM 0 HG21 THR A 12 -12.993 -4.185 -3.387 1.00 0.62 H new ATOM 0 HG22 THR A 12 -11.885 -3.194 -2.408 1.00 0.62 H new ATOM 0 HG23 THR A 12 -13.645 -2.984 -2.247 1.00 0.62 H new ATOM 185 N ILE A 13 -11.193 -0.245 -1.506 1.00 0.39 N ATOM 186 CA ILE A 13 -9.940 -0.138 -0.765 1.00 0.38 C ATOM 187 C ILE A 13 -9.548 -1.492 -0.161 1.00 0.37 C ATOM 188 O ILE A 13 -10.406 -2.275 0.261 1.00 0.51 O ATOM 189 CB ILE A 13 -10.028 0.935 0.349 1.00 0.50 C ATOM 190 CG1 ILE A 13 -8.634 1.236 0.917 1.00 0.86 C ATOM 191 CG2 ILE A 13 -10.964 0.475 1.455 1.00 0.80 C ATOM 192 CD1 ILE A 13 -8.624 2.336 1.956 1.00 1.03 C ATOM 0 H ILE A 13 -12.021 0.043 -0.985 1.00 0.39 H new ATOM 0 HA ILE A 13 -9.170 0.170 -1.472 1.00 0.38 H new ATOM 0 HB ILE A 13 -10.428 1.851 -0.085 1.00 0.50 H new ATOM 0 HG12 ILE A 13 -8.228 0.327 1.360 1.00 0.86 H new ATOM 0 HG13 ILE A 13 -7.971 1.516 0.099 1.00 0.86 H new ATOM 0 HG21 ILE A 13 -11.015 1.240 2.230 1.00 0.80 H new ATOM 0 HG22 ILE A 13 -11.959 0.309 1.043 1.00 0.80 H new ATOM 0 HG23 ILE A 13 -10.590 -0.454 1.886 1.00 0.80 H new ATOM 0 HD11 ILE A 13 -7.605 2.492 2.311 1.00 1.03 H new ATOM 0 HD12 ILE A 13 -8.999 3.258 1.513 1.00 1.03 H new ATOM 0 HD13 ILE A 13 -9.260 2.051 2.794 1.00 1.03 H new ATOM 204 N MET A 14 -8.252 -1.764 -0.134 1.00 0.31 N ATOM 205 CA MET A 14 -7.728 -3.035 0.370 1.00 0.35 C ATOM 206 C MET A 14 -6.457 -2.815 1.190 1.00 0.29 C ATOM 207 O MET A 14 -6.085 -1.677 1.467 1.00 0.46 O ATOM 208 CB MET A 14 -7.450 -3.998 -0.788 1.00 0.56 C ATOM 209 CG MET A 14 -8.709 -4.541 -1.447 1.00 0.75 C ATOM 210 SD MET A 14 -8.357 -5.714 -2.768 1.00 1.04 S ATOM 211 CE MET A 14 -10.006 -6.274 -3.169 1.00 0.77 C ATOM 0 H MET A 14 -7.533 -1.117 -0.458 1.00 0.31 H new ATOM 0 HA MET A 14 -8.483 -3.477 1.020 1.00 0.35 H new ATOM 0 HB2 MET A 14 -6.850 -3.485 -1.539 1.00 0.56 H new ATOM 0 HB3 MET A 14 -6.854 -4.833 -0.419 1.00 0.56 H new ATOM 0 HG2 MET A 14 -9.328 -5.026 -0.692 1.00 0.75 H new ATOM 0 HG3 MET A 14 -9.289 -3.711 -1.850 1.00 0.75 H new ATOM 0 HE1 MET A 14 -9.946 -7.140 -3.828 1.00 0.77 H new ATOM 0 HE2 MET A 14 -10.529 -6.550 -2.254 1.00 0.77 H new ATOM 0 HE3 MET A 14 -10.550 -5.474 -3.670 1.00 0.77 H new ATOM 221 N GLY A 15 -5.792 -3.900 1.581 1.00 0.34 N ATOM 222 CA GLY A 15 -4.617 -3.781 2.405 1.00 0.45 C ATOM 223 C GLY A 15 -4.899 -4.236 3.815 1.00 0.62 C ATOM 224 O GLY A 15 -5.905 -3.846 4.408 1.00 1.55 O ATOM 0 H GLY A 15 -6.052 -4.856 1.338 1.00 0.34 H new ATOM 0 HA2 GLY A 15 -3.809 -4.377 1.981 1.00 0.45 H new ATOM 0 HA3 GLY A 15 -4.278 -2.745 2.414 1.00 0.45 H new ATOM 228 N HIS A 16 -4.045 -5.106 4.317 1.00 0.51 N ATOM 229 CA HIS A 16 -4.136 -5.577 5.700 1.00 0.45 C ATOM 230 C HIS A 16 -4.286 -4.400 6.672 1.00 0.49 C ATOM 231 O HIS A 16 -3.598 -3.383 6.563 1.00 0.64 O ATOM 232 CB HIS A 16 -2.904 -6.410 6.069 1.00 0.43 C ATOM 233 CG HIS A 16 -2.979 -6.995 7.445 1.00 0.48 C ATOM 234 ND1 HIS A 16 -3.804 -8.053 7.722 1.00 0.62 N ATOM 235 CD2 HIS A 16 -2.348 -6.620 8.577 1.00 0.50 C ATOM 236 CE1 HIS A 16 -3.661 -8.295 9.011 1.00 0.66 C ATOM 237 NE2 HIS A 16 -2.790 -7.450 9.575 1.00 0.59 N ATOM 0 H HIS A 16 -3.271 -5.509 3.789 1.00 0.51 H new ATOM 0 HA HIS A 16 -5.022 -6.206 5.781 1.00 0.45 H new ATOM 0 HB2 HIS A 16 -2.788 -7.216 5.344 1.00 0.43 H new ATOM 0 HB3 HIS A 16 -2.015 -5.784 5.995 1.00 0.43 H new ATOM 0 HD2 HIS A 16 -1.631 -5.819 8.678 1.00 0.50 H new ATOM 0 HE1 HIS A 16 -4.182 -9.077 9.544 1.00 0.66 H new ATOM 0 HE2 HIS A 16 -2.510 -7.428 10.555 1.00 0.59 H new ATOM 245 N VAL A 17 -5.190 -4.568 7.635 1.00 0.53 N ATOM 246 CA VAL A 17 -5.625 -3.479 8.503 1.00 0.67 C ATOM 247 C VAL A 17 -4.512 -2.937 9.395 1.00 0.64 C ATOM 248 O VAL A 17 -4.485 -1.740 9.681 1.00 0.78 O ATOM 249 CB VAL A 17 -6.819 -3.906 9.388 1.00 0.87 C ATOM 250 CG1 VAL A 17 -8.044 -4.180 8.532 1.00 1.55 C ATOM 251 CG2 VAL A 17 -6.470 -5.128 10.225 1.00 1.62 C ATOM 0 H VAL A 17 -5.640 -5.461 7.834 1.00 0.53 H new ATOM 0 HA VAL A 17 -5.931 -2.679 7.829 1.00 0.67 H new ATOM 0 HB VAL A 17 -7.046 -3.085 10.068 1.00 0.87 H new ATOM 0 HG11 VAL A 17 -8.875 -4.479 9.171 1.00 1.55 H new ATOM 0 HG12 VAL A 17 -8.314 -3.277 7.984 1.00 1.55 H new ATOM 0 HG13 VAL A 17 -7.823 -4.980 7.826 1.00 1.55 H new ATOM 0 HG21 VAL A 17 -7.328 -5.406 10.838 1.00 1.62 H new ATOM 0 HG22 VAL A 17 -6.209 -5.957 9.567 1.00 1.62 H new ATOM 0 HG23 VAL A 17 -5.623 -4.897 10.871 1.00 1.62 H new ATOM 261 N ASP A 18 -3.593 -3.802 9.822 1.00 0.57 N ATOM 262 CA ASP A 18 -2.537 -3.399 10.753 1.00 0.61 C ATOM 263 C ASP A 18 -1.567 -2.417 10.114 1.00 0.56 C ATOM 264 O ASP A 18 -0.863 -1.687 10.813 1.00 0.69 O ATOM 265 CB ASP A 18 -1.772 -4.613 11.282 1.00 0.69 C ATOM 266 CG ASP A 18 -2.537 -5.358 12.350 1.00 1.06 C ATOM 267 OD1 ASP A 18 -2.594 -4.875 13.499 1.00 1.17 O ATOM 268 OD2 ASP A 18 -3.089 -6.435 12.047 1.00 1.78 O ATOM 0 H ASP A 18 -3.557 -4.782 9.541 1.00 0.57 H new ATOM 0 HA ASP A 18 -3.028 -2.900 11.589 1.00 0.61 H new ATOM 0 HB2 ASP A 18 -1.555 -5.290 10.456 1.00 0.69 H new ATOM 0 HB3 ASP A 18 -0.814 -4.287 11.687 1.00 0.69 H new ATOM 273 N HIS A 19 -1.546 -2.386 8.788 1.00 0.46 N ATOM 274 CA HIS A 19 -0.692 -1.463 8.063 1.00 0.48 C ATOM 275 C HIS A 19 -1.168 -0.030 8.240 1.00 0.58 C ATOM 276 O HIS A 19 -0.427 0.920 7.986 1.00 0.65 O ATOM 277 CB HIS A 19 -0.643 -1.833 6.584 1.00 0.46 C ATOM 278 CG HIS A 19 0.180 -3.052 6.311 1.00 0.40 C ATOM 279 ND1 HIS A 19 -0.171 -3.958 5.344 1.00 0.60 N ATOM 280 CD2 HIS A 19 1.329 -3.456 6.902 1.00 0.56 C ATOM 281 CE1 HIS A 19 0.768 -4.886 5.368 1.00 0.53 C ATOM 282 NE2 HIS A 19 1.698 -4.625 6.297 1.00 0.48 N ATOM 0 H HIS A 19 -2.113 -2.992 8.194 1.00 0.46 H new ATOM 0 HA HIS A 19 0.315 -1.537 8.473 1.00 0.48 H new ATOM 0 HB2 HIS A 19 -1.658 -1.999 6.223 1.00 0.46 H new ATOM 0 HB3 HIS A 19 -0.237 -0.994 6.019 1.00 0.46 H new ATOM 0 HD2 HIS A 19 1.854 -2.951 7.699 1.00 0.56 H new ATOM 0 HE1 HIS A 19 0.785 -5.749 4.719 1.00 0.53 H new ATOM 0 HE2 HIS A 19 2.521 -5.189 6.511 1.00 0.48 H new ATOM 290 N GLY A 20 -2.401 0.119 8.701 1.00 0.76 N ATOM 291 CA GLY A 20 -2.935 1.430 8.975 1.00 0.90 C ATOM 292 C GLY A 20 -4.087 1.786 8.065 1.00 0.81 C ATOM 293 O GLY A 20 -4.132 2.884 7.517 1.00 0.93 O ATOM 0 H GLY A 20 -3.042 -0.652 8.890 1.00 0.76 H new ATOM 0 HA2 GLY A 20 -3.268 1.474 10.012 1.00 0.90 H new ATOM 0 HA3 GLY A 20 -2.144 2.172 8.862 1.00 0.90 H new ATOM 297 N LYS A 21 -5.028 0.867 7.913 1.00 0.79 N ATOM 298 CA LYS A 21 -6.182 1.111 7.059 1.00 0.87 C ATOM 299 C LYS A 21 -7.269 1.805 7.860 1.00 0.89 C ATOM 300 O LYS A 21 -7.995 2.654 7.345 1.00 0.93 O ATOM 301 CB LYS A 21 -6.727 -0.197 6.491 1.00 1.09 C ATOM 302 CG LYS A 21 -7.699 0.000 5.332 1.00 1.20 C ATOM 303 CD LYS A 21 -8.255 -1.321 4.810 1.00 1.39 C ATOM 304 CE LYS A 21 -9.191 -1.977 5.814 1.00 1.73 C ATOM 305 NZ LYS A 21 -9.756 -3.255 5.303 1.00 2.11 N ATOM 0 H LYS A 21 -5.017 -0.047 8.365 1.00 0.79 H new ATOM 0 HA LYS A 21 -5.868 1.745 6.230 1.00 0.87 H new ATOM 0 HB2 LYS A 21 -5.893 -0.813 6.154 1.00 1.09 H new ATOM 0 HB3 LYS A 21 -7.229 -0.748 7.286 1.00 1.09 H new ATOM 0 HG2 LYS A 21 -8.523 0.635 5.656 1.00 1.20 H new ATOM 0 HG3 LYS A 21 -7.193 0.524 4.521 1.00 1.20 H new ATOM 0 HD2 LYS A 21 -8.789 -1.147 3.876 1.00 1.39 H new ATOM 0 HD3 LYS A 21 -7.431 -1.998 4.585 1.00 1.39 H new ATOM 0 HE2 LYS A 21 -8.651 -2.166 6.742 1.00 1.73 H new ATOM 0 HE3 LYS A 21 -10.004 -1.291 6.052 1.00 1.73 H new ATOM 0 HZ1 LYS A 21 -10.387 -3.667 6.020 1.00 2.11 H new ATOM 0 HZ2 LYS A 21 -10.293 -3.073 4.431 1.00 2.11 H new ATOM 0 HZ3 LYS A 21 -8.983 -3.920 5.100 1.00 2.11 H new ATOM 319 N THR A 22 -7.362 1.441 9.130 1.00 0.92 N ATOM 320 CA THR A 22 -8.357 2.008 10.021 1.00 1.00 C ATOM 321 C THR A 22 -8.058 3.478 10.264 1.00 0.99 C ATOM 322 O THR A 22 -8.934 4.335 10.140 1.00 1.03 O ATOM 323 CB THR A 22 -8.374 1.254 11.361 1.00 1.10 C ATOM 324 OG1 THR A 22 -8.100 -0.134 11.122 1.00 1.80 O ATOM 325 CG2 THR A 22 -9.721 1.399 12.054 1.00 1.65 C ATOM 0 H THR A 22 -6.754 0.749 9.568 1.00 0.92 H new ATOM 0 HA THR A 22 -9.336 1.911 9.552 1.00 1.00 H new ATOM 0 HB THR A 22 -7.611 1.680 12.012 1.00 1.10 H new ATOM 0 HG1 THR A 22 -8.108 -0.620 11.973 1.00 1.80 H new ATOM 0 HG21 THR A 22 -9.704 0.856 12.999 1.00 1.65 H new ATOM 0 HG22 THR A 22 -9.920 2.453 12.245 1.00 1.65 H new ATOM 0 HG23 THR A 22 -10.505 0.992 11.415 1.00 1.65 H new ATOM 333 N THR A 23 -6.800 3.765 10.574 1.00 0.99 N ATOM 334 CA THR A 23 -6.358 5.132 10.777 1.00 1.02 C ATOM 335 C THR A 23 -6.361 5.896 9.453 1.00 0.96 C ATOM 336 O THR A 23 -6.407 7.128 9.436 1.00 0.96 O ATOM 337 CB THR A 23 -4.952 5.187 11.423 1.00 1.12 C ATOM 338 OG1 THR A 23 -4.585 6.542 11.710 1.00 1.77 O ATOM 339 CG2 THR A 23 -3.901 4.560 10.518 1.00 1.41 C ATOM 0 H THR A 23 -6.068 3.064 10.690 1.00 0.99 H new ATOM 0 HA THR A 23 -7.059 5.606 11.464 1.00 1.02 H new ATOM 0 HB THR A 23 -4.996 4.617 12.351 1.00 1.12 H new ATOM 0 HG1 THR A 23 -3.695 6.560 12.119 1.00 1.77 H new ATOM 0 HG21 THR A 23 -2.925 4.615 11.001 1.00 1.41 H new ATOM 0 HG22 THR A 23 -4.156 3.517 10.333 1.00 1.41 H new ATOM 0 HG23 THR A 23 -3.868 5.099 9.571 1.00 1.41 H new ATOM 347 N LEU A 24 -6.334 5.158 8.342 1.00 0.96 N ATOM 348 CA LEU A 24 -6.429 5.774 7.026 1.00 0.96 C ATOM 349 C LEU A 24 -7.864 6.229 6.808 1.00 0.89 C ATOM 350 O LEU A 24 -8.111 7.382 6.479 1.00 0.91 O ATOM 351 CB LEU A 24 -5.990 4.778 5.938 1.00 1.06 C ATOM 352 CG LEU A 24 -5.734 5.361 4.538 1.00 0.88 C ATOM 353 CD1 LEU A 24 -7.037 5.662 3.812 1.00 1.78 C ATOM 354 CD2 LEU A 24 -4.878 6.614 4.637 1.00 1.57 C ATOM 0 H LEU A 24 -6.248 4.142 8.331 1.00 0.96 H new ATOM 0 HA LEU A 24 -5.766 6.637 6.966 1.00 0.96 H new ATOM 0 HB2 LEU A 24 -5.078 4.285 6.274 1.00 1.06 H new ATOM 0 HB3 LEU A 24 -6.756 4.007 5.852 1.00 1.06 H new ATOM 0 HG LEU A 24 -5.197 4.611 3.957 1.00 0.88 H new ATOM 0 HD11 LEU A 24 -6.818 6.073 2.826 1.00 1.78 H new ATOM 0 HD12 LEU A 24 -7.613 4.743 3.703 1.00 1.78 H new ATOM 0 HD13 LEU A 24 -7.615 6.386 4.386 1.00 1.78 H new ATOM 0 HD21 LEU A 24 -4.705 7.016 3.639 1.00 1.57 H new ATOM 0 HD22 LEU A 24 -5.392 7.359 5.244 1.00 1.57 H new ATOM 0 HD23 LEU A 24 -3.922 6.366 5.099 1.00 1.57 H new ATOM 366 N LEU A 25 -8.795 5.310 7.036 1.00 0.88 N ATOM 367 CA LEU A 25 -10.225 5.568 6.888 1.00 0.91 C ATOM 368 C LEU A 25 -10.663 6.727 7.794 1.00 0.89 C ATOM 369 O LEU A 25 -11.516 7.534 7.428 1.00 0.92 O ATOM 370 CB LEU A 25 -10.996 4.293 7.269 1.00 1.02 C ATOM 371 CG LEU A 25 -12.176 3.900 6.375 1.00 1.21 C ATOM 372 CD1 LEU A 25 -13.248 4.976 6.374 1.00 1.76 C ATOM 373 CD2 LEU A 25 -11.695 3.606 4.966 1.00 1.96 C ATOM 0 H LEU A 25 -8.579 4.358 7.331 1.00 0.88 H new ATOM 0 HA LEU A 25 -10.437 5.844 5.855 1.00 0.91 H new ATOM 0 HB2 LEU A 25 -10.291 3.462 7.283 1.00 1.02 H new ATOM 0 HB3 LEU A 25 -11.367 4.413 8.287 1.00 1.02 H new ATOM 0 HG LEU A 25 -12.625 2.993 6.781 1.00 1.21 H new ATOM 0 HD11 LEU A 25 -14.072 4.668 5.731 1.00 1.76 H new ATOM 0 HD12 LEU A 25 -13.616 5.124 7.389 1.00 1.76 H new ATOM 0 HD13 LEU A 25 -12.826 5.909 6.001 1.00 1.76 H new ATOM 0 HD21 LEU A 25 -12.544 3.328 4.342 1.00 1.96 H new ATOM 0 HD22 LEU A 25 -11.216 4.493 4.552 1.00 1.96 H new ATOM 0 HD23 LEU A 25 -10.979 2.785 4.990 1.00 1.96 H new ATOM 385 N ASP A 26 -10.076 6.793 8.983 1.00 0.91 N ATOM 386 CA ASP A 26 -10.382 7.862 9.927 1.00 0.96 C ATOM 387 C ASP A 26 -9.868 9.202 9.413 1.00 0.92 C ATOM 388 O ASP A 26 -10.629 10.165 9.281 1.00 0.95 O ATOM 389 CB ASP A 26 -9.770 7.568 11.285 1.00 1.05 C ATOM 390 CG ASP A 26 -10.218 8.546 12.359 1.00 1.21 C ATOM 391 OD1 ASP A 26 -9.946 9.760 12.216 1.00 1.38 O ATOM 392 OD2 ASP A 26 -10.861 8.113 13.339 1.00 1.35 O ATOM 0 H ASP A 26 -9.386 6.120 9.317 1.00 0.91 H new ATOM 0 HA ASP A 26 -11.466 7.916 10.030 1.00 0.96 H new ATOM 0 HB2 ASP A 26 -10.038 6.556 11.588 1.00 1.05 H new ATOM 0 HB3 ASP A 26 -8.684 7.599 11.203 1.00 1.05 H new ATOM 397 N ALA A 27 -8.575 9.255 9.117 1.00 0.89 N ATOM 398 CA ALA A 27 -7.940 10.481 8.646 1.00 0.89 C ATOM 399 C ALA A 27 -8.556 10.952 7.342 1.00 0.85 C ATOM 400 O ALA A 27 -8.812 12.138 7.159 1.00 0.90 O ATOM 401 CB ALA A 27 -6.452 10.263 8.449 1.00 0.91 C ATOM 0 H ALA A 27 -7.942 8.459 9.195 1.00 0.89 H new ATOM 0 HA ALA A 27 -8.099 11.248 9.404 1.00 0.89 H new ATOM 0 HB1 ALA A 27 -5.992 11.187 8.097 1.00 0.91 H new ATOM 0 HB2 ALA A 27 -5.999 9.970 9.396 1.00 0.91 H new ATOM 0 HB3 ALA A 27 -6.294 9.476 7.712 1.00 0.91 H new ATOM 407 N ILE A 28 -8.805 10.005 6.453 1.00 0.82 N ATOM 408 CA ILE A 28 -9.296 10.291 5.115 1.00 0.83 C ATOM 409 C ILE A 28 -10.696 10.906 5.164 1.00 0.88 C ATOM 410 O ILE A 28 -11.057 11.733 4.326 1.00 0.94 O ATOM 411 CB ILE A 28 -9.301 8.994 4.278 1.00 0.86 C ATOM 412 CG1 ILE A 28 -9.301 9.287 2.785 1.00 0.99 C ATOM 413 CG2 ILE A 28 -10.492 8.119 4.629 1.00 1.56 C ATOM 414 CD1 ILE A 28 -9.076 8.040 1.971 1.00 0.95 C ATOM 0 H ILE A 28 -8.672 9.011 6.640 1.00 0.82 H new ATOM 0 HA ILE A 28 -8.632 11.017 4.646 1.00 0.83 H new ATOM 0 HB ILE A 28 -8.384 8.458 4.522 1.00 0.86 H new ATOM 0 HG12 ILE A 28 -10.252 9.739 2.503 1.00 0.99 H new ATOM 0 HG13 ILE A 28 -8.523 10.015 2.557 1.00 0.99 H new ATOM 0 HG21 ILE A 28 -10.469 7.213 4.024 1.00 1.56 H new ATOM 0 HG22 ILE A 28 -10.448 7.851 5.685 1.00 1.56 H new ATOM 0 HG23 ILE A 28 -11.415 8.664 4.431 1.00 1.56 H new ATOM 0 HD11 ILE A 28 -9.083 8.292 0.910 1.00 0.95 H new ATOM 0 HD12 ILE A 28 -8.113 7.603 2.234 1.00 0.95 H new ATOM 0 HD13 ILE A 28 -9.869 7.322 2.179 1.00 0.95 H new ATOM 426 N ARG A 29 -11.472 10.515 6.167 1.00 0.93 N ATOM 427 CA ARG A 29 -12.819 11.032 6.334 1.00 1.04 C ATOM 428 C ARG A 29 -12.753 12.407 6.986 1.00 1.08 C ATOM 429 O ARG A 29 -13.613 13.262 6.772 1.00 1.17 O ATOM 430 CB ARG A 29 -13.649 10.055 7.176 1.00 1.16 C ATOM 431 CG ARG A 29 -13.778 10.428 8.642 1.00 1.33 C ATOM 432 CD ARG A 29 -14.489 9.344 9.434 1.00 1.58 C ATOM 433 NE ARG A 29 -14.919 9.841 10.742 1.00 2.13 N ATOM 434 CZ ARG A 29 -15.157 9.077 11.808 1.00 2.85 C ATOM 435 NH1 ARG A 29 -14.932 7.771 11.769 1.00 3.29 N ATOM 436 NH2 ARG A 29 -15.603 9.633 12.925 1.00 3.56 N ATOM 0 H ARG A 29 -11.188 9.840 6.877 1.00 0.93 H new ATOM 0 HA ARG A 29 -13.303 11.134 5.363 1.00 1.04 H new ATOM 0 HB2 ARG A 29 -14.647 9.983 6.745 1.00 1.16 H new ATOM 0 HB3 ARG A 29 -13.200 9.064 7.106 1.00 1.16 H new ATOM 0 HG2 ARG A 29 -12.787 10.597 9.064 1.00 1.33 H new ATOM 0 HG3 ARG A 29 -14.327 11.365 8.733 1.00 1.33 H new ATOM 0 HD2 ARG A 29 -15.354 8.989 8.874 1.00 1.58 H new ATOM 0 HD3 ARG A 29 -13.824 8.491 9.567 1.00 1.58 H new ATOM 0 HE ARG A 29 -15.046 10.848 10.845 1.00 2.13 H new ATOM 0 HH11 ARG A 29 -14.573 7.341 10.917 1.00 3.29 H new ATOM 0 HH12 ARG A 29 -15.118 7.197 12.591 1.00 3.29 H new ATOM 0 HH21 ARG A 29 -15.762 10.640 12.965 1.00 3.56 H new ATOM 0 HH22 ARG A 29 -15.787 9.054 13.744 1.00 3.56 H new ATOM 450 N HIS A 30 -11.699 12.603 7.765 1.00 1.05 N ATOM 451 CA HIS A 30 -11.454 13.869 8.441 1.00 1.13 C ATOM 452 C HIS A 30 -10.812 14.889 7.503 1.00 1.15 C ATOM 453 O HIS A 30 -10.703 16.068 7.839 1.00 1.32 O ATOM 454 CB HIS A 30 -10.566 13.656 9.656 1.00 1.23 C ATOM 455 CG HIS A 30 -11.295 13.328 10.907 1.00 1.70 C ATOM 456 ND1 HIS A 30 -11.244 12.104 11.544 1.00 2.44 N ATOM 457 CD2 HIS A 30 -12.073 14.104 11.651 1.00 2.01 C ATOM 458 CE1 HIS A 30 -11.976 12.159 12.641 1.00 2.88 C ATOM 459 NE2 HIS A 30 -12.493 13.371 12.730 1.00 2.60 N ATOM 0 H HIS A 30 -10.991 11.891 7.946 1.00 1.05 H new ATOM 0 HA HIS A 30 -12.418 14.263 8.763 1.00 1.13 H new ATOM 0 HB2 HIS A 30 -9.864 12.851 9.439 1.00 1.23 H new ATOM 0 HB3 HIS A 30 -9.976 14.558 9.821 1.00 1.23 H new ATOM 0 HD1 HIS A 30 -10.724 11.289 11.219 1.00 2.44 H new ATOM 0 HD2 HIS A 30 -12.330 15.132 11.443 1.00 2.01 H new ATOM 0 HE1 HIS A 30 -12.126 11.353 13.344 1.00 2.88 H new ATOM 468 N SER A 31 -10.407 14.434 6.322 1.00 1.07 N ATOM 469 CA SER A 31 -9.740 15.288 5.344 1.00 1.19 C ATOM 470 C SER A 31 -10.736 16.194 4.609 1.00 1.32 C ATOM 471 O SER A 31 -10.415 16.757 3.560 1.00 1.76 O ATOM 472 CB SER A 31 -8.947 14.432 4.350 1.00 1.15 C ATOM 473 OG SER A 31 -7.808 13.851 4.966 1.00 1.50 O ATOM 0 H SER A 31 -10.531 13.469 6.016 1.00 1.07 H new ATOM 0 HA SER A 31 -9.049 15.937 5.881 1.00 1.19 H new ATOM 0 HB2 SER A 31 -9.588 13.646 3.951 1.00 1.15 H new ATOM 0 HB3 SER A 31 -8.633 15.047 3.506 1.00 1.15 H new ATOM 0 HG SER A 31 -8.094 13.273 5.704 1.00 1.50 H new ATOM 706 N TYR A 48 -17.495 6.445 2.615 1.00 1.05 N ATOM 707 CA TYR A 48 -17.362 7.889 2.579 1.00 1.04 C ATOM 708 C TYR A 48 -17.212 8.362 1.143 1.00 0.91 C ATOM 709 O TYR A 48 -16.318 7.924 0.417 1.00 0.86 O ATOM 710 CB TYR A 48 -16.180 8.359 3.445 1.00 1.16 C ATOM 711 CG TYR A 48 -14.874 7.680 3.127 1.00 1.12 C ATOM 712 CD1 TYR A 48 -14.665 6.363 3.482 1.00 1.34 C ATOM 713 CD2 TYR A 48 -13.862 8.351 2.465 1.00 1.31 C ATOM 714 CE1 TYR A 48 -13.483 5.723 3.187 1.00 1.77 C ATOM 715 CE2 TYR A 48 -12.674 7.722 2.162 1.00 1.73 C ATOM 716 CZ TYR A 48 -12.489 6.404 2.527 1.00 1.96 C ATOM 717 OH TYR A 48 -11.308 5.764 2.230 1.00 2.54 O ATOM 0 HA TYR A 48 -18.267 8.331 2.996 1.00 1.04 H new ATOM 0 HB2 TYR A 48 -16.057 9.435 3.320 1.00 1.16 H new ATOM 0 HB3 TYR A 48 -16.421 8.186 4.494 1.00 1.16 H new ATOM 0 HD1 TYR A 48 -15.444 5.824 4.001 1.00 1.34 H new ATOM 0 HD2 TYR A 48 -14.005 9.383 2.181 1.00 1.31 H new ATOM 0 HE1 TYR A 48 -13.338 4.692 3.473 1.00 1.77 H new ATOM 0 HE2 TYR A 48 -11.893 8.257 1.642 1.00 1.73 H new ATOM 0 HH TYR A 48 -11.186 5.737 1.258 1.00 2.54 H new ATOM 727 N GLN A 49 -18.114 9.223 0.720 1.00 1.01 N ATOM 728 CA GLN A 49 -18.073 9.753 -0.626 1.00 1.00 C ATOM 729 C GLN A 49 -17.454 11.137 -0.591 1.00 1.11 C ATOM 730 O GLN A 49 -17.992 12.052 0.032 1.00 1.34 O ATOM 731 CB GLN A 49 -19.481 9.780 -1.222 1.00 1.16 C ATOM 732 CG GLN A 49 -20.179 8.430 -1.130 1.00 1.18 C ATOM 733 CD GLN A 49 -21.564 8.422 -1.753 1.00 1.42 C ATOM 734 OE1 GLN A 49 -22.249 9.443 -1.790 1.00 1.80 O ATOM 735 NE2 GLN A 49 -21.993 7.261 -2.230 1.00 1.96 N ATOM 0 H GLN A 49 -18.885 9.571 1.290 1.00 1.01 H new ATOM 0 HA GLN A 49 -17.461 9.115 -1.263 1.00 1.00 H new ATOM 0 HB2 GLN A 49 -20.078 10.530 -0.703 1.00 1.16 H new ATOM 0 HB3 GLN A 49 -19.424 10.086 -2.267 1.00 1.16 H new ATOM 0 HG2 GLN A 49 -19.563 7.677 -1.622 1.00 1.18 H new ATOM 0 HG3 GLN A 49 -20.259 8.141 -0.082 1.00 1.18 H new ATOM 0 HE21 GLN A 49 -21.394 6.437 -2.180 1.00 1.96 H new ATOM 0 HE22 GLN A 49 -22.922 7.193 -2.646 1.00 1.96 H new ATOM 744 N VAL A 50 -16.295 11.273 -1.211 1.00 1.04 N ATOM 745 CA VAL A 50 -15.551 12.508 -1.152 1.00 1.18 C ATOM 746 C VAL A 50 -15.887 13.424 -2.305 1.00 1.28 C ATOM 747 O VAL A 50 -16.174 12.981 -3.420 1.00 1.38 O ATOM 748 CB VAL A 50 -14.037 12.250 -1.154 1.00 1.24 C ATOM 749 CG1 VAL A 50 -13.608 11.608 0.144 1.00 1.93 C ATOM 750 CG2 VAL A 50 -13.628 11.403 -2.344 1.00 1.59 C ATOM 0 H VAL A 50 -15.852 10.538 -1.762 1.00 1.04 H new ATOM 0 HA VAL A 50 -15.838 12.992 -0.218 1.00 1.18 H new ATOM 0 HB VAL A 50 -13.528 13.210 -1.244 1.00 1.24 H new ATOM 0 HG11 VAL A 50 -12.532 11.432 0.125 1.00 1.93 H new ATOM 0 HG12 VAL A 50 -13.853 12.269 0.975 1.00 1.93 H new ATOM 0 HG13 VAL A 50 -14.128 10.659 0.270 1.00 1.93 H new ATOM 0 HG21 VAL A 50 -12.551 11.237 -2.319 1.00 1.59 H new ATOM 0 HG22 VAL A 50 -14.144 10.444 -2.303 1.00 1.59 H new ATOM 0 HG23 VAL A 50 -13.894 11.919 -3.267 1.00 1.59 H new ATOM 860 N ILE A 57 -14.896 10.168 -6.929 1.00 1.14 N ATOM 861 CA ILE A 57 -14.411 9.005 -6.205 1.00 0.88 C ATOM 862 C ILE A 57 -15.287 8.682 -5.004 1.00 0.85 C ATOM 863 O ILE A 57 -15.314 9.411 -4.016 1.00 0.97 O ATOM 864 CB ILE A 57 -12.955 9.180 -5.732 1.00 0.80 C ATOM 865 CG1 ILE A 57 -12.041 9.518 -6.912 1.00 0.86 C ATOM 866 CG2 ILE A 57 -12.482 7.906 -5.041 1.00 0.87 C ATOM 867 CD1 ILE A 57 -10.616 9.831 -6.503 1.00 0.86 C ATOM 0 HA ILE A 57 -14.453 8.176 -6.912 1.00 0.88 H new ATOM 0 HB ILE A 57 -12.913 10.007 -5.023 1.00 0.80 H new ATOM 0 HG12 ILE A 57 -12.035 8.679 -7.608 1.00 0.86 H new ATOM 0 HG13 ILE A 57 -12.453 10.373 -7.447 1.00 0.86 H new ATOM 0 HG21 ILE A 57 -11.452 8.034 -4.708 1.00 0.87 H new ATOM 0 HG22 ILE A 57 -13.119 7.701 -4.180 1.00 0.87 H new ATOM 0 HG23 ILE A 57 -12.537 7.071 -5.740 1.00 0.87 H new ATOM 0 HD11 ILE A 57 -10.025 10.061 -7.390 1.00 0.86 H new ATOM 0 HD12 ILE A 57 -10.611 10.689 -5.830 1.00 0.86 H new ATOM 0 HD13 ILE A 57 -10.186 8.968 -5.994 1.00 0.86 H new ATOM 879 N THR A 58 -16.016 7.593 -5.115 1.00 0.80 N ATOM 880 CA THR A 58 -16.736 7.034 -3.990 1.00 0.80 C ATOM 881 C THR A 58 -15.888 5.930 -3.372 1.00 0.73 C ATOM 882 O THR A 58 -15.461 5.020 -4.082 1.00 0.85 O ATOM 883 CB THR A 58 -18.089 6.457 -4.449 1.00 0.88 C ATOM 884 OG1 THR A 58 -18.809 7.449 -5.190 1.00 1.11 O ATOM 885 CG2 THR A 58 -18.922 5.996 -3.265 1.00 1.28 C ATOM 0 H THR A 58 -16.127 7.071 -5.984 1.00 0.80 H new ATOM 0 HA THR A 58 -16.929 7.816 -3.256 1.00 0.80 H new ATOM 0 HB THR A 58 -17.893 5.592 -5.083 1.00 0.88 H new ATOM 0 HG1 THR A 58 -19.668 7.079 -5.482 1.00 1.11 H new ATOM 0 HG21 THR A 58 -19.870 5.594 -3.622 1.00 1.28 H new ATOM 0 HG22 THR A 58 -18.382 5.222 -2.720 1.00 1.28 H new ATOM 0 HG23 THR A 58 -19.112 6.841 -2.603 1.00 1.28 H new ATOM 893 N PHE A 59 -15.621 6.005 -2.073 1.00 0.65 N ATOM 894 CA PHE A 59 -14.772 5.008 -1.439 1.00 0.64 C ATOM 895 C PHE A 59 -15.648 3.951 -0.806 1.00 0.73 C ATOM 896 O PHE A 59 -16.075 4.105 0.339 1.00 0.83 O ATOM 897 CB PHE A 59 -13.866 5.636 -0.380 1.00 0.64 C ATOM 898 CG PHE A 59 -12.777 6.523 -0.926 1.00 0.60 C ATOM 899 CD1 PHE A 59 -13.031 7.855 -1.217 1.00 0.80 C ATOM 900 CD2 PHE A 59 -11.509 6.021 -1.171 1.00 0.75 C ATOM 901 CE1 PHE A 59 -12.041 8.669 -1.733 1.00 0.84 C ATOM 902 CE2 PHE A 59 -10.516 6.831 -1.690 1.00 0.79 C ATOM 903 CZ PHE A 59 -10.749 8.163 -1.893 1.00 0.70 C ATOM 0 H PHE A 59 -15.973 6.732 -1.450 1.00 0.65 H new ATOM 0 HA PHE A 59 -14.131 4.562 -2.199 1.00 0.64 H new ATOM 0 HB2 PHE A 59 -14.481 6.219 0.305 1.00 0.64 H new ATOM 0 HB3 PHE A 59 -13.407 4.839 0.205 1.00 0.64 H new ATOM 0 HD1 PHE A 59 -14.016 8.261 -1.038 1.00 0.80 H new ATOM 0 HD2 PHE A 59 -11.294 4.985 -0.954 1.00 0.75 H new ATOM 0 HE1 PHE A 59 -12.264 9.689 -2.010 1.00 0.84 H new ATOM 0 HE2 PHE A 59 -9.552 6.410 -1.936 1.00 0.79 H new ATOM 0 HZ PHE A 59 -9.939 8.820 -2.175 1.00 0.70 H new ATOM 1221 N ILE A 81 -10.798 0.225 -8.617 1.00 0.74 N ATOM 1222 CA ILE A 81 -9.594 0.851 -8.111 1.00 0.55 C ATOM 1223 C ILE A 81 -9.193 0.192 -6.805 1.00 0.47 C ATOM 1224 O ILE A 81 -9.782 0.455 -5.760 1.00 0.63 O ATOM 1225 CB ILE A 81 -9.797 2.368 -7.901 1.00 0.63 C ATOM 1226 CG1 ILE A 81 -10.032 3.056 -9.245 1.00 0.72 C ATOM 1227 CG2 ILE A 81 -8.602 2.987 -7.195 1.00 0.67 C ATOM 1228 CD1 ILE A 81 -8.869 2.902 -10.194 1.00 0.73 C ATOM 0 HA ILE A 81 -8.801 0.720 -8.847 1.00 0.55 H new ATOM 0 HB ILE A 81 -10.673 2.511 -7.269 1.00 0.63 H new ATOM 0 HG12 ILE A 81 -10.929 2.643 -9.707 1.00 0.72 H new ATOM 0 HG13 ILE A 81 -10.219 4.117 -9.077 1.00 0.72 H new ATOM 0 HG21 ILE A 81 -8.772 4.055 -7.060 1.00 0.67 H new ATOM 0 HG22 ILE A 81 -8.470 2.515 -6.221 1.00 0.67 H new ATOM 0 HG23 ILE A 81 -7.706 2.835 -7.796 1.00 0.67 H new ATOM 0 HD11 ILE A 81 -9.094 3.411 -11.131 1.00 0.73 H new ATOM 0 HD12 ILE A 81 -7.976 3.340 -9.749 1.00 0.73 H new ATOM 0 HD13 ILE A 81 -8.696 1.844 -10.389 1.00 0.73 H new ATOM 1240 N VAL A 82 -8.193 -0.668 -6.864 1.00 0.32 N ATOM 1241 CA VAL A 82 -7.788 -1.424 -5.704 1.00 0.30 C ATOM 1242 C VAL A 82 -6.695 -0.704 -4.931 1.00 0.25 C ATOM 1243 O VAL A 82 -5.516 -0.816 -5.260 1.00 0.28 O ATOM 1244 CB VAL A 82 -7.287 -2.815 -6.114 1.00 0.39 C ATOM 1245 CG1 VAL A 82 -6.802 -3.577 -4.903 1.00 0.97 C ATOM 1246 CG2 VAL A 82 -8.381 -3.582 -6.841 1.00 1.19 C ATOM 0 H VAL A 82 -7.649 -0.857 -7.706 1.00 0.32 H new ATOM 0 HA VAL A 82 -8.662 -1.528 -5.061 1.00 0.30 H new ATOM 0 HB VAL A 82 -6.447 -2.697 -6.799 1.00 0.39 H new ATOM 0 HG11 VAL A 82 -6.450 -4.562 -5.210 1.00 0.97 H new ATOM 0 HG12 VAL A 82 -5.985 -3.030 -4.432 1.00 0.97 H new ATOM 0 HG13 VAL A 82 -7.621 -3.690 -4.192 1.00 0.97 H new ATOM 0 HG21 VAL A 82 -8.008 -4.566 -7.125 1.00 1.19 H new ATOM 0 HG22 VAL A 82 -9.243 -3.696 -6.184 1.00 1.19 H new ATOM 0 HG23 VAL A 82 -8.676 -3.034 -7.736 1.00 1.19 H new ATOM 1256 N ILE A 83 -7.079 0.040 -3.907 1.00 0.25 N ATOM 1257 CA ILE A 83 -6.094 0.732 -3.094 1.00 0.25 C ATOM 1258 C ILE A 83 -5.517 -0.220 -2.078 1.00 0.27 C ATOM 1259 O ILE A 83 -6.107 -0.450 -1.030 1.00 0.45 O ATOM 1260 CB ILE A 83 -6.664 1.933 -2.317 1.00 0.34 C ATOM 1261 CG1 ILE A 83 -7.959 2.427 -2.942 1.00 0.48 C ATOM 1262 CG2 ILE A 83 -5.633 3.050 -2.254 1.00 0.84 C ATOM 1263 CD1 ILE A 83 -8.510 3.677 -2.286 1.00 1.32 C ATOM 0 H ILE A 83 -8.049 0.179 -3.622 1.00 0.25 H new ATOM 0 HA ILE A 83 -5.343 1.102 -3.792 1.00 0.25 H new ATOM 0 HB ILE A 83 -6.892 1.609 -1.302 1.00 0.34 H new ATOM 0 HG12 ILE A 83 -7.789 2.627 -4.000 1.00 0.48 H new ATOM 0 HG13 ILE A 83 -8.706 1.636 -2.883 1.00 0.48 H new ATOM 0 HG21 ILE A 83 -6.045 3.895 -1.703 1.00 0.84 H new ATOM 0 HG22 ILE A 83 -4.737 2.690 -1.749 1.00 0.84 H new ATOM 0 HG23 ILE A 83 -5.377 3.367 -3.265 1.00 0.84 H new ATOM 0 HD11 ILE A 83 -9.434 3.972 -2.783 1.00 1.32 H new ATOM 0 HD12 ILE A 83 -8.712 3.477 -1.234 1.00 1.32 H new ATOM 0 HD13 ILE A 83 -7.781 4.483 -2.368 1.00 1.32 H new ATOM 1275 N LEU A 84 -4.376 -0.763 -2.395 1.00 0.22 N ATOM 1276 CA LEU A 84 -3.717 -1.708 -1.522 1.00 0.27 C ATOM 1277 C LEU A 84 -2.838 -0.979 -0.503 1.00 0.27 C ATOM 1278 O LEU A 84 -1.801 -0.421 -0.862 1.00 0.31 O ATOM 1279 CB LEU A 84 -2.857 -2.637 -2.357 1.00 0.35 C ATOM 1280 CG LEU A 84 -2.199 -3.759 -1.591 1.00 0.49 C ATOM 1281 CD1 LEU A 84 -3.226 -4.825 -1.262 1.00 1.33 C ATOM 1282 CD2 LEU A 84 -1.045 -4.313 -2.398 1.00 1.33 C ATOM 0 H LEU A 84 -3.873 -0.568 -3.261 1.00 0.22 H new ATOM 0 HA LEU A 84 -4.473 -2.279 -0.983 1.00 0.27 H new ATOM 0 HB2 LEU A 84 -3.474 -3.069 -3.145 1.00 0.35 H new ATOM 0 HB3 LEU A 84 -2.081 -2.048 -2.846 1.00 0.35 H new ATOM 0 HG LEU A 84 -1.798 -3.386 -0.649 1.00 0.49 H new ATOM 0 HD11 LEU A 84 -2.747 -5.633 -0.709 1.00 1.33 H new ATOM 0 HD12 LEU A 84 -4.020 -4.390 -0.655 1.00 1.33 H new ATOM 0 HD13 LEU A 84 -3.650 -5.219 -2.186 1.00 1.33 H new ATOM 0 HD21 LEU A 84 -0.570 -5.123 -1.845 1.00 1.33 H new ATOM 0 HD22 LEU A 84 -1.416 -4.692 -3.350 1.00 1.33 H new ATOM 0 HD23 LEU A 84 -0.317 -3.523 -2.581 1.00 1.33 H new ATOM 1294 N VAL A 85 -3.242 -0.973 0.756 1.00 0.28 N ATOM 1295 CA VAL A 85 -2.472 -0.282 1.782 1.00 0.28 C ATOM 1296 C VAL A 85 -1.354 -1.176 2.337 1.00 0.27 C ATOM 1297 O VAL A 85 -1.516 -2.393 2.472 1.00 0.34 O ATOM 1298 CB VAL A 85 -3.370 0.223 2.943 1.00 0.32 C ATOM 1299 CG1 VAL A 85 -3.778 -0.905 3.870 1.00 1.17 C ATOM 1300 CG2 VAL A 85 -2.681 1.335 3.723 1.00 1.20 C ATOM 0 H VAL A 85 -4.088 -1.432 1.092 1.00 0.28 H new ATOM 0 HA VAL A 85 -2.022 0.586 1.301 1.00 0.28 H new ATOM 0 HB VAL A 85 -4.278 0.627 2.495 1.00 0.32 H new ATOM 0 HG11 VAL A 85 -4.406 -0.510 4.669 1.00 1.17 H new ATOM 0 HG12 VAL A 85 -4.335 -1.655 3.308 1.00 1.17 H new ATOM 0 HG13 VAL A 85 -2.887 -1.362 4.301 1.00 1.17 H new ATOM 0 HG21 VAL A 85 -3.332 1.670 4.530 1.00 1.20 H new ATOM 0 HG22 VAL A 85 -1.747 0.961 4.142 1.00 1.20 H new ATOM 0 HG23 VAL A 85 -2.470 2.171 3.056 1.00 1.20 H new ATOM 1310 N VAL A 86 -0.215 -0.555 2.618 1.00 0.25 N ATOM 1311 CA VAL A 86 0.922 -1.214 3.249 1.00 0.27 C ATOM 1312 C VAL A 86 1.520 -0.267 4.279 1.00 0.24 C ATOM 1313 O VAL A 86 1.004 0.830 4.481 1.00 0.26 O ATOM 1314 CB VAL A 86 2.018 -1.628 2.231 1.00 0.36 C ATOM 1315 CG1 VAL A 86 1.530 -2.740 1.322 1.00 1.12 C ATOM 1316 CG2 VAL A 86 2.470 -0.437 1.404 1.00 0.95 C ATOM 0 H VAL A 86 -0.053 0.431 2.412 1.00 0.25 H new ATOM 0 HA VAL A 86 0.560 -2.130 3.716 1.00 0.27 H new ATOM 0 HB VAL A 86 2.870 -1.999 2.800 1.00 0.36 H new ATOM 0 HG11 VAL A 86 2.319 -3.009 0.620 1.00 1.12 H new ATOM 0 HG12 VAL A 86 1.266 -3.611 1.922 1.00 1.12 H new ATOM 0 HG13 VAL A 86 0.653 -2.401 0.770 1.00 1.12 H new ATOM 0 HG21 VAL A 86 3.238 -0.754 0.699 1.00 0.95 H new ATOM 0 HG22 VAL A 86 1.620 -0.031 0.856 1.00 0.95 H new ATOM 0 HG23 VAL A 86 2.877 0.330 2.063 1.00 0.95 H new ATOM 1326 N ALA A 87 2.599 -0.663 4.931 1.00 0.28 N ATOM 1327 CA ALA A 87 3.184 0.191 5.955 1.00 0.32 C ATOM 1328 C ALA A 87 4.700 0.104 5.999 1.00 0.46 C ATOM 1329 O ALA A 87 5.261 -0.824 6.586 1.00 0.75 O ATOM 1330 CB ALA A 87 2.597 -0.139 7.312 1.00 0.42 C ATOM 0 H ALA A 87 3.080 -1.549 4.777 1.00 0.28 H new ATOM 0 HA ALA A 87 2.935 1.219 5.691 1.00 0.32 H new ATOM 0 HB1 ALA A 87 3.043 0.507 8.068 1.00 0.42 H new ATOM 0 HB2 ALA A 87 1.519 0.019 7.290 1.00 0.42 H new ATOM 0 HB3 ALA A 87 2.806 -1.181 7.555 1.00 0.42 H new ATOM 1336 N ALA A 88 5.332 1.081 5.357 1.00 0.37 N ATOM 1337 CA ALA A 88 6.768 1.330 5.459 1.00 0.59 C ATOM 1338 C ALA A 88 7.630 0.078 5.313 1.00 0.53 C ATOM 1339 O ALA A 88 7.931 -0.354 4.203 1.00 1.14 O ATOM 1340 CB ALA A 88 7.075 2.023 6.777 1.00 1.18 C ATOM 0 H ALA A 88 4.852 1.735 4.739 1.00 0.37 H new ATOM 0 HA ALA A 88 7.028 1.972 4.617 1.00 0.59 H new ATOM 0 HB1 ALA A 88 8.147 2.207 6.850 1.00 1.18 H new ATOM 0 HB2 ALA A 88 6.540 2.971 6.823 1.00 1.18 H new ATOM 0 HB3 ALA A 88 6.759 1.388 7.604 1.00 1.18 H new ATOM 1346 N ASP A 89 8.005 -0.500 6.446 1.00 0.56 N ATOM 1347 CA ASP A 89 9.002 -1.558 6.489 1.00 0.93 C ATOM 1348 C ASP A 89 8.366 -2.938 6.551 1.00 0.85 C ATOM 1349 O ASP A 89 9.061 -3.949 6.439 1.00 1.24 O ATOM 1350 CB ASP A 89 9.928 -1.362 7.698 1.00 1.44 C ATOM 1351 CG ASP A 89 9.189 -1.410 9.025 1.00 1.68 C ATOM 1352 OD1 ASP A 89 8.523 -0.413 9.377 1.00 1.90 O ATOM 1353 OD2 ASP A 89 9.265 -2.445 9.719 1.00 2.01 O ATOM 0 H ASP A 89 7.627 -0.248 7.359 1.00 0.56 H new ATOM 0 HA ASP A 89 9.580 -1.498 5.567 1.00 0.93 H new ATOM 0 HB2 ASP A 89 10.697 -2.134 7.689 1.00 1.44 H new ATOM 0 HB3 ASP A 89 10.438 -0.403 7.607 1.00 1.44 H new ATOM 1358 N ASP A 90 7.053 -2.991 6.726 1.00 0.48 N ATOM 1359 CA ASP A 90 6.373 -4.281 6.815 1.00 0.46 C ATOM 1360 C ASP A 90 6.156 -4.862 5.432 1.00 0.45 C ATOM 1361 O ASP A 90 6.179 -6.079 5.238 1.00 0.69 O ATOM 1362 CB ASP A 90 5.025 -4.167 7.522 1.00 0.52 C ATOM 1363 CG ASP A 90 4.633 -5.468 8.180 1.00 0.74 C ATOM 1364 OD1 ASP A 90 5.446 -6.017 8.956 1.00 0.93 O ATOM 1365 OD2 ASP A 90 3.508 -5.944 7.943 1.00 1.09 O ATOM 0 H ASP A 90 6.445 -2.176 6.808 1.00 0.48 H new ATOM 0 HA ASP A 90 7.016 -4.939 7.400 1.00 0.46 H new ATOM 0 HB2 ASP A 90 5.072 -3.378 8.273 1.00 0.52 H new ATOM 0 HB3 ASP A 90 4.259 -3.877 6.803 1.00 0.52 H new ATOM 1370 N GLY A 91 5.952 -3.974 4.472 1.00 0.36 N ATOM 1371 CA GLY A 91 5.725 -4.392 3.109 1.00 0.36 C ATOM 1372 C GLY A 91 4.363 -5.013 2.916 1.00 0.35 C ATOM 1373 O GLY A 91 3.364 -4.534 3.451 1.00 0.52 O ATOM 0 H GLY A 91 5.940 -2.964 4.616 1.00 0.36 H new ATOM 0 HA2 GLY A 91 5.826 -3.532 2.447 1.00 0.36 H new ATOM 0 HA3 GLY A 91 6.493 -5.110 2.819 1.00 0.36 H new ATOM 1377 N VAL A 92 4.335 -6.072 2.140 1.00 0.38 N ATOM 1378 CA VAL A 92 3.117 -6.753 1.786 1.00 0.37 C ATOM 1379 C VAL A 92 2.871 -7.969 2.686 1.00 0.36 C ATOM 1380 O VAL A 92 3.558 -8.987 2.576 1.00 0.47 O ATOM 1381 CB VAL A 92 3.230 -7.179 0.313 1.00 0.47 C ATOM 1382 CG1 VAL A 92 2.079 -8.055 -0.102 1.00 1.08 C ATOM 1383 CG2 VAL A 92 3.310 -5.957 -0.581 1.00 1.06 C ATOM 0 H VAL A 92 5.172 -6.489 1.732 1.00 0.38 H new ATOM 0 HA VAL A 92 2.268 -6.084 1.926 1.00 0.37 H new ATOM 0 HB VAL A 92 4.145 -7.762 0.205 1.00 0.47 H new ATOM 0 HG11 VAL A 92 2.194 -8.335 -1.149 1.00 1.08 H new ATOM 0 HG12 VAL A 92 2.065 -8.954 0.515 1.00 1.08 H new ATOM 0 HG13 VAL A 92 1.143 -7.511 0.027 1.00 1.08 H new ATOM 0 HG21 VAL A 92 3.390 -6.272 -1.621 1.00 1.06 H new ATOM 0 HG22 VAL A 92 2.412 -5.353 -0.453 1.00 1.06 H new ATOM 0 HG23 VAL A 92 4.186 -5.367 -0.313 1.00 1.06 H new ATOM 1393 N MET A 93 1.906 -7.847 3.599 1.00 0.29 N ATOM 1394 CA MET A 93 1.476 -8.971 4.433 1.00 0.31 C ATOM 1395 C MET A 93 0.605 -9.936 3.629 1.00 0.31 C ATOM 1396 O MET A 93 0.236 -9.629 2.496 1.00 0.31 O ATOM 1397 CB MET A 93 0.701 -8.469 5.647 1.00 0.36 C ATOM 1398 CG MET A 93 1.588 -7.908 6.736 1.00 0.67 C ATOM 1399 SD MET A 93 0.705 -7.697 8.286 1.00 1.32 S ATOM 1400 CE MET A 93 0.210 -9.388 8.589 1.00 0.65 C ATOM 0 H MET A 93 1.405 -6.977 3.780 1.00 0.29 H new ATOM 0 HA MET A 93 2.367 -9.499 4.773 1.00 0.31 H new ATOM 0 HB2 MET A 93 -0.001 -7.699 5.328 1.00 0.36 H new ATOM 0 HB3 MET A 93 0.110 -9.289 6.056 1.00 0.36 H new ATOM 0 HG2 MET A 93 2.437 -8.574 6.891 1.00 0.67 H new ATOM 0 HG3 MET A 93 1.991 -6.947 6.415 1.00 0.67 H new ATOM 0 HE1 MET A 93 0.006 -9.523 9.651 1.00 0.65 H new ATOM 0 HE2 MET A 93 -0.690 -9.612 8.016 1.00 0.65 H new ATOM 0 HE3 MET A 93 1.011 -10.062 8.285 1.00 0.65 H new ATOM 1410 N PRO A 94 0.279 -11.123 4.193 1.00 0.38 N ATOM 1411 CA PRO A 94 -0.624 -12.085 3.553 1.00 0.42 C ATOM 1412 C PRO A 94 -1.861 -11.427 2.949 1.00 0.39 C ATOM 1413 O PRO A 94 -2.103 -11.543 1.750 1.00 0.42 O ATOM 1414 CB PRO A 94 -1.010 -13.010 4.705 1.00 0.52 C ATOM 1415 CG PRO A 94 0.190 -13.020 5.584 1.00 0.61 C ATOM 1416 CD PRO A 94 0.800 -11.644 5.476 1.00 0.46 C ATOM 0 HA PRO A 94 -0.151 -12.594 2.713 1.00 0.42 H new ATOM 0 HB2 PRO A 94 -1.888 -12.641 5.235 1.00 0.52 H new ATOM 0 HB3 PRO A 94 -1.250 -14.011 4.348 1.00 0.52 H new ATOM 0 HG2 PRO A 94 -0.084 -13.245 6.615 1.00 0.61 H new ATOM 0 HG3 PRO A 94 0.898 -13.786 5.268 1.00 0.61 H new ATOM 0 HD2 PRO A 94 0.507 -11.010 6.313 1.00 0.46 H new ATOM 0 HD3 PRO A 94 1.889 -11.689 5.476 1.00 0.46 H new ATOM 1424 N GLN A 95 -2.631 -10.728 3.777 1.00 0.40 N ATOM 1425 CA GLN A 95 -3.814 -10.014 3.317 1.00 0.43 C ATOM 1426 C GLN A 95 -3.497 -9.022 2.201 1.00 0.36 C ATOM 1427 O GLN A 95 -4.322 -8.797 1.317 1.00 0.39 O ATOM 1428 CB GLN A 95 -4.487 -9.280 4.472 1.00 0.53 C ATOM 1429 CG GLN A 95 -4.980 -10.206 5.563 1.00 0.64 C ATOM 1430 CD GLN A 95 -6.247 -9.693 6.223 1.00 0.88 C ATOM 1431 OE1 GLN A 95 -7.040 -8.978 5.607 1.00 1.41 O ATOM 1432 NE2 GLN A 95 -6.456 -10.068 7.472 1.00 1.47 N ATOM 0 H GLN A 95 -2.454 -10.642 4.778 1.00 0.40 H new ATOM 0 HA GLN A 95 -4.493 -10.766 2.916 1.00 0.43 H new ATOM 0 HB2 GLN A 95 -3.782 -8.568 4.901 1.00 0.53 H new ATOM 0 HB3 GLN A 95 -5.328 -8.704 4.086 1.00 0.53 H new ATOM 0 HG2 GLN A 95 -5.166 -11.194 5.142 1.00 0.64 H new ATOM 0 HG3 GLN A 95 -4.202 -10.323 6.317 1.00 0.64 H new ATOM 0 HE21 GLN A 95 -5.775 -10.660 7.947 1.00 1.47 H new ATOM 0 HE22 GLN A 95 -7.298 -9.765 7.961 1.00 1.47 H new ATOM 1441 N THR A 96 -2.309 -8.427 2.228 1.00 0.33 N ATOM 1442 CA THR A 96 -1.913 -7.495 1.189 1.00 0.31 C ATOM 1443 C THR A 96 -1.751 -8.224 -0.160 1.00 0.29 C ATOM 1444 O THR A 96 -1.869 -7.623 -1.225 1.00 0.34 O ATOM 1445 CB THR A 96 -0.613 -6.777 1.590 1.00 0.34 C ATOM 1446 OG1 THR A 96 -0.724 -6.310 2.944 1.00 0.37 O ATOM 1447 CG2 THR A 96 -0.330 -5.598 0.680 1.00 0.46 C ATOM 0 H THR A 96 -1.610 -8.575 2.956 1.00 0.33 H new ATOM 0 HA THR A 96 -2.696 -6.746 1.071 1.00 0.31 H new ATOM 0 HB THR A 96 0.209 -7.487 1.499 1.00 0.34 H new ATOM 0 HG1 THR A 96 -0.466 -5.366 2.986 1.00 0.37 H new ATOM 0 HG21 THR A 96 0.595 -5.113 0.990 1.00 0.46 H new ATOM 0 HG22 THR A 96 -0.229 -5.947 -0.348 1.00 0.46 H new ATOM 0 HG23 THR A 96 -1.152 -4.885 0.742 1.00 0.46 H new ATOM 1455 N VAL A 97 -1.514 -9.533 -0.101 1.00 0.33 N ATOM 1456 CA VAL A 97 -1.433 -10.360 -1.290 1.00 0.39 C ATOM 1457 C VAL A 97 -2.794 -10.952 -1.627 1.00 0.34 C ATOM 1458 O VAL A 97 -3.215 -10.939 -2.779 1.00 0.37 O ATOM 1459 CB VAL A 97 -0.452 -11.519 -1.075 1.00 0.60 C ATOM 1460 CG1 VAL A 97 -0.453 -12.440 -2.269 1.00 1.00 C ATOM 1461 CG2 VAL A 97 0.932 -10.990 -0.816 1.00 1.05 C ATOM 0 H VAL A 97 -1.374 -10.043 0.771 1.00 0.33 H new ATOM 0 HA VAL A 97 -1.090 -9.725 -2.106 1.00 0.39 H new ATOM 0 HB VAL A 97 -0.773 -12.089 -0.203 1.00 0.60 H new ATOM 0 HG11 VAL A 97 0.249 -13.257 -2.099 1.00 1.00 H new ATOM 0 HG12 VAL A 97 -1.454 -12.846 -2.414 1.00 1.00 H new ATOM 0 HG13 VAL A 97 -0.154 -11.884 -3.158 1.00 1.00 H new ATOM 0 HG21 VAL A 97 1.618 -11.824 -0.665 1.00 1.05 H new ATOM 0 HG22 VAL A 97 1.261 -10.399 -1.671 1.00 1.05 H new ATOM 0 HG23 VAL A 97 0.921 -10.363 0.076 1.00 1.05 H new ATOM 1471 N GLU A 98 -3.472 -11.465 -0.604 1.00 0.35 N ATOM 1472 CA GLU A 98 -4.769 -12.121 -0.764 1.00 0.40 C ATOM 1473 C GLU A 98 -5.805 -11.159 -1.326 1.00 0.34 C ATOM 1474 O GLU A 98 -6.841 -11.571 -1.849 1.00 0.45 O ATOM 1475 CB GLU A 98 -5.242 -12.676 0.579 1.00 0.54 C ATOM 1476 CG GLU A 98 -4.282 -13.692 1.175 1.00 0.72 C ATOM 1477 CD GLU A 98 -4.744 -14.249 2.509 1.00 1.14 C ATOM 1478 OE1 GLU A 98 -5.740 -15.004 2.532 1.00 1.55 O ATOM 1479 OE2 GLU A 98 -4.128 -13.923 3.542 1.00 1.62 O ATOM 0 H GLU A 98 -3.139 -11.438 0.360 1.00 0.35 H new ATOM 0 HA GLU A 98 -4.651 -12.942 -1.472 1.00 0.40 H new ATOM 0 HB2 GLU A 98 -5.371 -11.852 1.281 1.00 0.54 H new ATOM 0 HB3 GLU A 98 -6.219 -13.141 0.449 1.00 0.54 H new ATOM 0 HG2 GLU A 98 -4.153 -14.515 0.472 1.00 0.72 H new ATOM 0 HG3 GLU A 98 -3.305 -13.226 1.303 1.00 0.72 H new ATOM 1486 N ALA A 99 -5.514 -9.880 -1.224 1.00 0.28 N ATOM 1487 CA ALA A 99 -6.388 -8.858 -1.761 1.00 0.27 C ATOM 1488 C ALA A 99 -6.053 -8.627 -3.223 1.00 0.25 C ATOM 1489 O ALA A 99 -6.935 -8.512 -4.066 1.00 0.34 O ATOM 1490 CB ALA A 99 -6.253 -7.574 -0.960 1.00 0.31 C ATOM 0 H ALA A 99 -4.673 -9.521 -0.771 1.00 0.28 H new ATOM 0 HA ALA A 99 -7.424 -9.189 -1.687 1.00 0.27 H new ATOM 0 HB1 ALA A 99 -6.916 -6.815 -1.375 1.00 0.31 H new ATOM 0 HB2 ALA A 99 -6.524 -7.763 0.079 1.00 0.31 H new ATOM 0 HB3 ALA A 99 -5.223 -7.222 -1.008 1.00 0.31 H new ATOM 1496 N ILE A 100 -4.759 -8.606 -3.515 1.00 0.25 N ATOM 1497 CA ILE A 100 -4.278 -8.449 -4.876 1.00 0.24 C ATOM 1498 C ILE A 100 -4.610 -9.679 -5.707 1.00 0.28 C ATOM 1499 O ILE A 100 -5.232 -9.563 -6.741 1.00 0.34 O ATOM 1500 CB ILE A 100 -2.764 -8.173 -4.885 1.00 0.25 C ATOM 1501 CG1 ILE A 100 -2.512 -6.668 -4.940 1.00 0.36 C ATOM 1502 CG2 ILE A 100 -2.042 -8.893 -6.016 1.00 0.37 C ATOM 1503 CD1 ILE A 100 -1.051 -6.292 -5.052 1.00 0.38 C ATOM 0 H ILE A 100 -4.020 -8.697 -2.818 1.00 0.25 H new ATOM 0 HA ILE A 100 -4.782 -7.592 -5.323 1.00 0.24 H new ATOM 0 HB ILE A 100 -2.351 -8.573 -3.959 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -3.050 -6.251 -5.791 1.00 0.36 H new ATOM 0 HG13 ILE A 100 -2.927 -6.208 -4.044 1.00 0.36 H new ATOM 0 HG21 ILE A 100 -0.978 -8.662 -5.973 1.00 0.37 H new ATOM 0 HG22 ILE A 100 -2.184 -9.969 -5.912 1.00 0.37 H new ATOM 0 HG23 ILE A 100 -2.447 -8.564 -6.973 1.00 0.37 H new ATOM 0 HD11 ILE A 100 -0.956 -5.207 -5.086 1.00 0.38 H new ATOM 0 HD12 ILE A 100 -0.509 -6.677 -4.188 1.00 0.38 H new ATOM 0 HD13 ILE A 100 -0.634 -6.721 -5.963 1.00 0.38 H new ATOM 1515 N ASN A 101 -4.186 -10.851 -5.253 1.00 0.31 N ATOM 1516 CA ASN A 101 -4.536 -12.116 -5.886 1.00 0.38 C ATOM 1517 C ASN A 101 -6.023 -12.177 -6.226 1.00 0.37 C ATOM 1518 O ASN A 101 -6.414 -12.704 -7.266 1.00 0.46 O ATOM 1519 CB ASN A 101 -4.178 -13.261 -4.946 1.00 0.46 C ATOM 1520 CG ASN A 101 -3.873 -14.530 -5.696 1.00 1.08 C ATOM 1521 OD1 ASN A 101 -4.751 -15.360 -5.932 1.00 1.85 O ATOM 1522 ND2 ASN A 101 -2.623 -14.675 -6.086 1.00 1.55 N ATOM 0 H ASN A 101 -3.588 -10.952 -4.433 1.00 0.31 H new ATOM 0 HA ASN A 101 -3.975 -12.202 -6.817 1.00 0.38 H new ATOM 0 HB2 ASN A 101 -3.315 -12.979 -4.343 1.00 0.46 H new ATOM 0 HB3 ASN A 101 -5.004 -13.436 -4.257 1.00 0.46 H new ATOM 0 HD21 ASN A 101 -2.345 -15.505 -6.609 1.00 1.55 H new ATOM 0 HD22 ASN A 101 -1.933 -13.957 -5.865 1.00 1.55 H new ATOM 1529 N HIS A 102 -6.841 -11.608 -5.351 1.00 0.33 N ATOM 1530 CA HIS A 102 -8.282 -11.576 -5.553 1.00 0.38 C ATOM 1531 C HIS A 102 -8.673 -10.477 -6.544 1.00 0.38 C ATOM 1532 O HIS A 102 -9.672 -10.601 -7.251 1.00 0.47 O ATOM 1533 CB HIS A 102 -8.991 -11.342 -4.211 1.00 0.43 C ATOM 1534 CG HIS A 102 -10.481 -11.523 -4.261 1.00 0.55 C ATOM 1535 ND1 HIS A 102 -11.120 -12.668 -3.836 1.00 0.75 N ATOM 1536 CD2 HIS A 102 -11.460 -10.686 -4.677 1.00 0.61 C ATOM 1537 CE1 HIS A 102 -12.423 -12.525 -3.986 1.00 0.85 C ATOM 1538 NE2 HIS A 102 -12.659 -11.332 -4.494 1.00 0.77 N ATOM 0 H HIS A 102 -6.528 -11.160 -4.490 1.00 0.33 H new ATOM 0 HA HIS A 102 -8.591 -12.536 -5.966 1.00 0.38 H new ATOM 0 HB2 HIS A 102 -8.578 -12.027 -3.471 1.00 0.43 H new ATOM 0 HB3 HIS A 102 -8.771 -10.331 -3.868 1.00 0.43 H new ATOM 0 HD2 HIS A 102 -11.324 -9.693 -5.079 1.00 0.61 H new ATOM 0 HE1 HIS A 102 -13.171 -13.262 -3.735 1.00 0.85 H new ATOM 0 HE2 HIS A 102 -13.579 -10.951 -4.715 1.00 0.77 H new ATOM 1547 N ALA A 103 -7.887 -9.410 -6.603 1.00 0.32 N ATOM 1548 CA ALA A 103 -8.264 -8.239 -7.390 1.00 0.38 C ATOM 1549 C ALA A 103 -7.578 -8.191 -8.751 1.00 0.40 C ATOM 1550 O ALA A 103 -8.217 -7.917 -9.765 1.00 0.48 O ATOM 1551 CB ALA A 103 -7.953 -6.974 -6.614 1.00 0.43 C ATOM 0 H ALA A 103 -6.992 -9.329 -6.121 1.00 0.32 H new ATOM 0 HA ALA A 103 -9.335 -8.314 -7.576 1.00 0.38 H new ATOM 0 HB1 ALA A 103 -8.237 -6.104 -7.207 1.00 0.43 H new ATOM 0 HB2 ALA A 103 -8.513 -6.974 -5.679 1.00 0.43 H new ATOM 0 HB3 ALA A 103 -6.885 -6.933 -6.398 1.00 0.43 H new ATOM 1557 N LYS A 104 -6.292 -8.508 -8.778 1.00 0.40 N ATOM 1558 CA LYS A 104 -5.447 -8.242 -9.922 1.00 0.51 C ATOM 1559 C LYS A 104 -5.863 -9.091 -11.122 1.00 0.50 C ATOM 1560 O LYS A 104 -5.526 -8.784 -12.264 1.00 0.60 O ATOM 1561 CB LYS A 104 -3.966 -8.464 -9.526 1.00 0.64 C ATOM 1562 CG LYS A 104 -3.575 -9.891 -9.135 1.00 1.11 C ATOM 1563 CD LYS A 104 -3.499 -10.831 -10.319 1.00 1.57 C ATOM 1564 CE LYS A 104 -2.541 -10.318 -11.388 1.00 1.92 C ATOM 1565 NZ LYS A 104 -2.265 -11.339 -12.429 1.00 2.56 N ATOM 0 H LYS A 104 -5.808 -8.959 -8.002 1.00 0.40 H new ATOM 0 HA LYS A 104 -5.564 -7.203 -10.229 1.00 0.51 H new ATOM 0 HB2 LYS A 104 -3.338 -8.154 -10.362 1.00 0.64 H new ATOM 0 HB3 LYS A 104 -3.733 -7.804 -8.690 1.00 0.64 H new ATOM 0 HG2 LYS A 104 -2.608 -9.872 -8.631 1.00 1.11 H new ATOM 0 HG3 LYS A 104 -4.300 -10.277 -8.418 1.00 1.11 H new ATOM 0 HD2 LYS A 104 -3.174 -11.815 -9.982 1.00 1.57 H new ATOM 0 HD3 LYS A 104 -4.493 -10.954 -10.750 1.00 1.57 H new ATOM 0 HE2 LYS A 104 -2.964 -9.429 -11.856 1.00 1.92 H new ATOM 0 HE3 LYS A 104 -1.604 -10.016 -10.920 1.00 1.92 H new ATOM 0 HZ1 LYS A 104 -1.609 -10.947 -13.135 1.00 2.56 H new ATOM 0 HZ2 LYS A 104 -1.837 -12.178 -11.988 1.00 2.56 H new ATOM 0 HZ3 LYS A 104 -3.155 -11.609 -12.895 1.00 2.56 H new ATOM 1579 N ALA A 105 -6.629 -10.139 -10.856 1.00 0.51 N ATOM 1580 CA ALA A 105 -7.031 -11.068 -11.897 1.00 0.61 C ATOM 1581 C ALA A 105 -8.307 -10.617 -12.593 1.00 0.66 C ATOM 1582 O ALA A 105 -8.846 -11.331 -13.440 1.00 0.76 O ATOM 1583 CB ALA A 105 -7.202 -12.463 -11.320 1.00 0.72 C ATOM 0 H ALA A 105 -6.984 -10.366 -9.927 1.00 0.51 H new ATOM 0 HA ALA A 105 -6.240 -11.089 -12.647 1.00 0.61 H new ATOM 0 HB1 ALA A 105 -7.504 -13.150 -12.111 1.00 0.72 H new ATOM 0 HB2 ALA A 105 -6.258 -12.797 -10.890 1.00 0.72 H new ATOM 0 HB3 ALA A 105 -7.968 -12.445 -10.544 1.00 0.72 H new ATOM 1589 N ALA A 106 -8.791 -9.435 -12.243 1.00 0.62 N ATOM 1590 CA ALA A 106 -9.930 -8.860 -12.933 1.00 0.70 C ATOM 1591 C ALA A 106 -9.440 -7.895 -13.998 1.00 0.72 C ATOM 1592 O ALA A 106 -10.236 -7.240 -14.671 1.00 0.90 O ATOM 1593 CB ALA A 106 -10.862 -8.164 -11.954 1.00 0.75 C ATOM 0 H ALA A 106 -8.414 -8.860 -11.490 1.00 0.62 H new ATOM 0 HA ALA A 106 -10.497 -9.658 -13.412 1.00 0.70 H new ATOM 0 HB1 ALA A 106 -11.708 -7.741 -12.495 1.00 0.75 H new ATOM 0 HB2 ALA A 106 -11.224 -8.885 -11.221 1.00 0.75 H new ATOM 0 HB3 ALA A 106 -10.323 -7.366 -11.443 1.00 0.75 H new ATOM 1599 N ASN A 107 -8.109 -7.801 -14.104 1.00 0.67 N ATOM 1600 CA ASN A 107 -7.444 -6.981 -15.116 1.00 0.73 C ATOM 1601 C ASN A 107 -7.563 -5.529 -14.726 1.00 0.67 C ATOM 1602 O ASN A 107 -7.764 -4.639 -15.552 1.00 0.80 O ATOM 1603 CB ASN A 107 -8.005 -7.229 -16.504 1.00 0.92 C ATOM 1604 CG ASN A 107 -6.929 -7.611 -17.501 1.00 1.44 C ATOM 1605 OD1 ASN A 107 -6.326 -6.756 -18.149 1.00 1.99 O ATOM 1606 ND2 ASN A 107 -6.681 -8.904 -17.635 1.00 2.06 N ATOM 0 H ASN A 107 -7.464 -8.294 -13.487 1.00 0.67 H new ATOM 0 HA ASN A 107 -6.391 -7.259 -15.158 1.00 0.73 H new ATOM 0 HB2 ASN A 107 -8.750 -8.023 -16.455 1.00 0.92 H new ATOM 0 HB3 ASN A 107 -8.517 -6.332 -16.852 1.00 0.92 H new ATOM 0 HD21 ASN A 107 -5.969 -9.221 -18.293 1.00 2.06 H new ATOM 0 HD22 ASN A 107 -7.202 -9.583 -17.080 1.00 2.06 H new ATOM 1613 N VAL A 108 -7.429 -5.320 -13.433 1.00 0.55 N ATOM 1614 CA VAL A 108 -7.589 -4.013 -12.830 1.00 0.49 C ATOM 1615 C VAL A 108 -6.294 -3.580 -12.161 1.00 0.40 C ATOM 1616 O VAL A 108 -5.571 -4.408 -11.605 1.00 0.42 O ATOM 1617 CB VAL A 108 -8.732 -4.024 -11.782 1.00 0.54 C ATOM 1618 CG1 VAL A 108 -8.995 -5.428 -11.277 1.00 1.00 C ATOM 1619 CG2 VAL A 108 -8.389 -3.128 -10.616 1.00 1.08 C ATOM 0 H VAL A 108 -7.204 -6.058 -12.766 1.00 0.55 H new ATOM 0 HA VAL A 108 -7.843 -3.307 -13.620 1.00 0.49 H new ATOM 0 HB VAL A 108 -9.632 -3.653 -12.271 1.00 0.54 H new ATOM 0 HG11 VAL A 108 -9.801 -5.406 -10.544 1.00 1.00 H new ATOM 0 HG12 VAL A 108 -9.282 -6.067 -12.112 1.00 1.00 H new ATOM 0 HG13 VAL A 108 -8.092 -5.822 -10.812 1.00 1.00 H new ATOM 0 HG21 VAL A 108 -9.202 -3.148 -9.890 1.00 1.08 H new ATOM 0 HG22 VAL A 108 -7.472 -3.481 -10.143 1.00 1.08 H new ATOM 0 HG23 VAL A 108 -8.245 -2.108 -10.971 1.00 1.08 H new ATOM 1629 N PRO A 109 -5.982 -2.279 -12.228 1.00 0.39 N ATOM 1630 CA PRO A 109 -4.822 -1.714 -11.553 1.00 0.35 C ATOM 1631 C PRO A 109 -4.934 -1.692 -10.035 1.00 0.30 C ATOM 1632 O PRO A 109 -6.024 -1.603 -9.452 1.00 0.34 O ATOM 1633 CB PRO A 109 -4.749 -0.279 -12.060 1.00 0.43 C ATOM 1634 CG PRO A 109 -5.647 -0.223 -13.238 1.00 0.51 C ATOM 1635 CD PRO A 109 -6.702 -1.266 -13.009 1.00 0.48 C ATOM 0 HA PRO A 109 -3.943 -2.322 -11.768 1.00 0.35 H new ATOM 0 HB2 PRO A 109 -5.068 0.425 -11.291 1.00 0.43 H new ATOM 0 HB3 PRO A 109 -3.728 -0.012 -12.333 1.00 0.43 H new ATOM 0 HG2 PRO A 109 -6.093 0.766 -13.341 1.00 0.51 H new ATOM 0 HG3 PRO A 109 -5.096 -0.421 -14.157 1.00 0.51 H new ATOM 0 HD2 PRO A 109 -7.557 -0.866 -12.464 1.00 0.48 H new ATOM 0 HD3 PRO A 109 -7.083 -1.671 -13.947 1.00 0.48 H new ATOM 1643 N ILE A 110 -3.775 -1.703 -9.415 1.00 0.27 N ATOM 1644 CA ILE A 110 -3.671 -1.737 -7.964 1.00 0.25 C ATOM 1645 C ILE A 110 -2.872 -0.531 -7.474 1.00 0.23 C ATOM 1646 O ILE A 110 -1.967 -0.048 -8.157 1.00 0.26 O ATOM 1647 CB ILE A 110 -3.033 -3.071 -7.456 1.00 0.30 C ATOM 1648 CG1 ILE A 110 -4.106 -4.156 -7.266 1.00 0.46 C ATOM 1649 CG2 ILE A 110 -2.256 -2.879 -6.159 1.00 0.45 C ATOM 1650 CD1 ILE A 110 -4.653 -4.726 -8.556 1.00 0.96 C ATOM 0 H ILE A 110 -2.876 -1.689 -9.897 1.00 0.27 H new ATOM 0 HA ILE A 110 -4.679 -1.690 -7.552 1.00 0.25 H new ATOM 0 HB ILE A 110 -2.329 -3.394 -8.223 1.00 0.30 H new ATOM 0 HG12 ILE A 110 -3.683 -4.968 -6.674 1.00 0.46 H new ATOM 0 HG13 ILE A 110 -4.931 -3.737 -6.689 1.00 0.46 H new ATOM 0 HG21 ILE A 110 -1.831 -3.832 -5.845 1.00 0.45 H new ATOM 0 HG22 ILE A 110 -1.453 -2.159 -6.319 1.00 0.45 H new ATOM 0 HG23 ILE A 110 -2.927 -2.508 -5.384 1.00 0.45 H new ATOM 0 HD11 ILE A 110 -5.403 -5.484 -8.330 1.00 0.96 H new ATOM 0 HD12 ILE A 110 -5.108 -3.928 -9.142 1.00 0.96 H new ATOM 0 HD13 ILE A 110 -3.842 -5.178 -9.127 1.00 0.96 H new ATOM 1662 N ILE A 111 -3.228 -0.036 -6.302 1.00 0.23 N ATOM 1663 CA ILE A 111 -2.571 1.117 -5.722 1.00 0.25 C ATOM 1664 C ILE A 111 -1.867 0.668 -4.477 1.00 0.32 C ATOM 1665 O ILE A 111 -2.303 -0.264 -3.839 1.00 0.71 O ATOM 1666 CB ILE A 111 -3.567 2.244 -5.344 1.00 0.29 C ATOM 1667 CG1 ILE A 111 -4.287 2.787 -6.568 1.00 0.35 C ATOM 1668 CG2 ILE A 111 -2.877 3.371 -4.598 1.00 0.34 C ATOM 1669 CD1 ILE A 111 -5.434 1.916 -7.002 1.00 0.53 C ATOM 0 H ILE A 111 -3.978 -0.422 -5.729 1.00 0.23 H new ATOM 0 HA ILE A 111 -1.882 1.523 -6.463 1.00 0.25 H new ATOM 0 HB ILE A 111 -4.309 1.800 -4.681 1.00 0.29 H new ATOM 0 HG12 ILE A 111 -4.659 3.788 -6.351 1.00 0.35 H new ATOM 0 HG13 ILE A 111 -3.577 2.882 -7.390 1.00 0.35 H new ATOM 0 HG21 ILE A 111 -3.606 4.143 -4.349 1.00 0.34 H new ATOM 0 HG22 ILE A 111 -2.433 2.982 -3.681 1.00 0.34 H new ATOM 0 HG23 ILE A 111 -2.096 3.799 -5.226 1.00 0.34 H new ATOM 0 HD11 ILE A 111 -5.911 2.353 -7.880 1.00 0.53 H new ATOM 0 HD12 ILE A 111 -5.063 0.921 -7.248 1.00 0.53 H new ATOM 0 HD13 ILE A 111 -6.161 1.842 -6.193 1.00 0.53 H new ATOM 1681 N VAL A 112 -0.770 1.286 -4.155 1.00 0.21 N ATOM 1682 CA VAL A 112 -0.102 1.004 -2.930 1.00 0.20 C ATOM 1683 C VAL A 112 -0.119 2.220 -2.048 1.00 0.20 C ATOM 1684 O VAL A 112 0.245 3.314 -2.474 1.00 0.23 O ATOM 1685 CB VAL A 112 1.340 0.622 -3.176 1.00 0.20 C ATOM 1686 CG1 VAL A 112 1.725 -0.522 -2.297 1.00 0.20 C ATOM 1687 CG2 VAL A 112 1.555 0.253 -4.627 1.00 0.22 C ATOM 0 H VAL A 112 -0.319 1.995 -4.733 1.00 0.21 H new ATOM 0 HA VAL A 112 -0.622 0.175 -2.451 1.00 0.20 H new ATOM 0 HB VAL A 112 1.968 1.481 -2.940 1.00 0.20 H new ATOM 0 HG11 VAL A 112 2.765 -0.789 -2.482 1.00 0.20 H new ATOM 0 HG12 VAL A 112 1.605 -0.235 -1.252 1.00 0.20 H new ATOM 0 HG13 VAL A 112 1.086 -1.378 -2.514 1.00 0.20 H new ATOM 0 HG21 VAL A 112 2.599 -0.019 -4.783 1.00 0.22 H new ATOM 0 HG22 VAL A 112 0.918 -0.593 -4.886 1.00 0.22 H new ATOM 0 HG23 VAL A 112 1.303 1.104 -5.260 1.00 0.22 H new ATOM 1697 N ALA A 113 -0.521 2.027 -0.828 1.00 0.19 N ATOM 1698 CA ALA A 113 -0.519 3.093 0.123 1.00 0.21 C ATOM 1699 C ALA A 113 0.441 2.731 1.221 1.00 0.21 C ATOM 1700 O ALA A 113 0.071 2.135 2.223 1.00 0.23 O ATOM 1701 CB ALA A 113 -1.913 3.335 0.669 1.00 0.25 C ATOM 0 H ALA A 113 -0.857 1.134 -0.468 1.00 0.19 H new ATOM 0 HA ALA A 113 -0.203 4.021 -0.354 1.00 0.21 H new ATOM 0 HB1 ALA A 113 -1.884 4.151 1.391 1.00 0.25 H new ATOM 0 HB2 ALA A 113 -2.584 3.597 -0.149 1.00 0.25 H new ATOM 0 HB3 ALA A 113 -2.274 2.430 1.158 1.00 0.25 H new ATOM 1707 N ILE A 114 1.679 3.082 0.994 1.00 0.21 N ATOM 1708 CA ILE A 114 2.735 2.861 1.952 1.00 0.24 C ATOM 1709 C ILE A 114 2.607 3.850 3.106 1.00 0.25 C ATOM 1710 O ILE A 114 3.039 4.995 2.996 1.00 0.30 O ATOM 1711 CB ILE A 114 4.109 3.019 1.275 1.00 0.28 C ATOM 1712 CG1 ILE A 114 4.099 2.398 -0.128 1.00 0.32 C ATOM 1713 CG2 ILE A 114 5.172 2.361 2.121 1.00 0.36 C ATOM 1714 CD1 ILE A 114 5.394 2.598 -0.894 1.00 0.85 C ATOM 0 H ILE A 114 1.988 3.533 0.133 1.00 0.21 H new ATOM 0 HA ILE A 114 2.649 1.847 2.341 1.00 0.24 H new ATOM 0 HB ILE A 114 4.328 4.082 1.178 1.00 0.28 H new ATOM 0 HG12 ILE A 114 3.900 1.330 -0.041 1.00 0.32 H new ATOM 0 HG13 ILE A 114 3.278 2.830 -0.701 1.00 0.32 H new ATOM 0 HG21 ILE A 114 6.143 2.475 1.639 1.00 0.36 H new ATOM 0 HG22 ILE A 114 5.198 2.831 3.104 1.00 0.36 H new ATOM 0 HG23 ILE A 114 4.944 1.301 2.232 1.00 0.36 H new ATOM 0 HD11 ILE A 114 5.312 2.132 -1.876 1.00 0.85 H new ATOM 0 HD12 ILE A 114 5.585 3.664 -1.013 1.00 0.85 H new ATOM 0 HD13 ILE A 114 6.217 2.141 -0.344 1.00 0.85 H new ATOM 1726 N ASN A 115 1.994 3.409 4.197 1.00 0.26 N ATOM 1727 CA ASN A 115 1.664 4.296 5.305 1.00 0.31 C ATOM 1728 C ASN A 115 2.821 4.388 6.298 1.00 0.37 C ATOM 1729 O ASN A 115 3.559 3.420 6.486 1.00 0.39 O ATOM 1730 CB ASN A 115 0.401 3.782 6.004 1.00 0.39 C ATOM 1731 CG ASN A 115 -0.133 4.726 7.063 1.00 0.47 C ATOM 1732 OD1 ASN A 115 0.256 4.660 8.228 1.00 0.60 O ATOM 1733 ND2 ASN A 115 -1.045 5.603 6.669 1.00 0.69 N ATOM 0 H ASN A 115 1.714 2.438 4.338 1.00 0.26 H new ATOM 0 HA ASN A 115 1.483 5.297 4.913 1.00 0.31 H new ATOM 0 HB2 ASN A 115 -0.374 3.612 5.257 1.00 0.39 H new ATOM 0 HB3 ASN A 115 0.617 2.818 6.464 1.00 0.39 H new ATOM 0 HD21 ASN A 115 -1.450 6.254 7.341 1.00 0.69 H new ATOM 0 HD22 ASN A 115 -1.342 5.627 5.693 1.00 0.69 H new ATOM 1740 N LYS A 116 2.958 5.565 6.918 1.00 0.49 N ATOM 1741 CA LYS A 116 3.976 5.832 7.943 1.00 0.62 C ATOM 1742 C LYS A 116 5.353 6.050 7.328 1.00 0.57 C ATOM 1743 O LYS A 116 6.296 5.308 7.586 1.00 0.67 O ATOM 1744 CB LYS A 116 4.025 4.726 9.004 1.00 0.78 C ATOM 1745 CG LYS A 116 2.906 4.819 10.030 1.00 1.15 C ATOM 1746 CD LYS A 116 2.876 3.596 10.930 1.00 1.50 C ATOM 1747 CE LYS A 116 2.463 2.354 10.157 1.00 2.05 C ATOM 1748 NZ LYS A 116 1.065 2.457 9.659 1.00 2.61 N ATOM 0 H LYS A 116 2.360 6.368 6.721 1.00 0.49 H new ATOM 0 HA LYS A 116 3.681 6.756 8.441 1.00 0.62 H new ATOM 0 HB2 LYS A 116 3.974 3.756 8.509 1.00 0.78 H new ATOM 0 HB3 LYS A 116 4.984 4.770 9.519 1.00 0.78 H new ATOM 0 HG2 LYS A 116 3.039 5.715 10.636 1.00 1.15 H new ATOM 0 HG3 LYS A 116 1.949 4.920 9.518 1.00 1.15 H new ATOM 0 HD2 LYS A 116 3.861 3.442 11.371 1.00 1.50 H new ATOM 0 HD3 LYS A 116 2.181 3.764 11.752 1.00 1.50 H new ATOM 0 HE2 LYS A 116 3.140 2.207 9.315 1.00 2.05 H new ATOM 0 HE3 LYS A 116 2.558 1.478 10.798 1.00 2.05 H new ATOM 0 HZ1 LYS A 116 0.812 1.585 9.151 1.00 2.61 H new ATOM 0 HZ2 LYS A 116 0.419 2.589 10.463 1.00 2.61 H new ATOM 0 HZ3 LYS A 116 0.985 3.269 9.014 1.00 2.61 H new ATOM 1762 N MET A 117 5.453 7.094 6.518 1.00 0.58 N ATOM 1763 CA MET A 117 6.724 7.505 5.928 1.00 0.69 C ATOM 1764 C MET A 117 7.047 8.899 6.417 1.00 0.81 C ATOM 1765 O MET A 117 8.008 9.532 5.988 1.00 1.03 O ATOM 1766 CB MET A 117 6.628 7.489 4.408 1.00 0.85 C ATOM 1767 CG MET A 117 5.774 6.351 3.918 1.00 0.81 C ATOM 1768 SD MET A 117 6.657 4.776 3.885 1.00 1.37 S ATOM 1769 CE MET A 117 7.813 5.048 2.541 1.00 0.65 C ATOM 0 H MET A 117 4.661 7.679 6.251 1.00 0.58 H new ATOM 0 HA MET A 117 7.513 6.814 6.225 1.00 0.69 H new ATOM 0 HB2 MET A 117 6.211 8.434 4.059 1.00 0.85 H new ATOM 0 HB3 MET A 117 7.627 7.405 3.981 1.00 0.85 H new ATOM 0 HG2 MET A 117 4.898 6.258 4.560 1.00 0.81 H new ATOM 0 HG3 MET A 117 5.412 6.580 2.916 1.00 0.81 H new ATOM 0 HE1 MET A 117 8.798 4.681 2.829 1.00 0.65 H new ATOM 0 HE2 MET A 117 7.472 4.514 1.654 1.00 0.65 H new ATOM 0 HE3 MET A 117 7.872 6.114 2.322 1.00 0.65 H new ATOM 1852 N ASN A 123 12.012 1.645 3.184 1.00 0.59 N ATOM 1853 CA ASN A 123 12.608 1.364 1.885 1.00 0.57 C ATOM 1854 C ASN A 123 11.527 0.890 0.921 1.00 0.46 C ATOM 1855 O ASN A 123 11.261 -0.309 0.812 1.00 0.52 O ATOM 1856 CB ASN A 123 13.711 0.303 1.990 1.00 0.85 C ATOM 1857 CG ASN A 123 14.412 0.061 0.661 1.00 1.28 C ATOM 1858 OD1 ASN A 123 13.997 -0.782 -0.133 1.00 1.77 O ATOM 1859 ND2 ASN A 123 15.489 0.788 0.421 1.00 1.84 N ATOM 0 HA ASN A 123 13.061 2.283 1.513 1.00 0.57 H new ATOM 0 HB2 ASN A 123 14.444 0.618 2.732 1.00 0.85 H new ATOM 0 HB3 ASN A 123 13.279 -0.632 2.345 1.00 0.85 H new ATOM 0 HD21 ASN A 123 16.008 0.660 -0.448 1.00 1.84 H new ATOM 0 HD22 ASN A 123 15.802 1.477 1.105 1.00 1.84 H new ATOM 1866 N PRO A 124 10.850 1.842 0.258 1.00 0.41 N ATOM 1867 CA PRO A 124 9.854 1.567 -0.776 1.00 0.47 C ATOM 1868 C PRO A 124 10.264 0.456 -1.741 1.00 0.42 C ATOM 1869 O PRO A 124 9.520 -0.492 -1.915 1.00 0.40 O ATOM 1870 CB PRO A 124 9.726 2.903 -1.526 1.00 0.66 C ATOM 1871 CG PRO A 124 10.705 3.834 -0.881 1.00 0.70 C ATOM 1872 CD PRO A 124 10.955 3.282 0.489 1.00 0.46 C ATOM 0 HA PRO A 124 8.923 1.213 -0.333 1.00 0.47 H new ATOM 0 HB2 PRO A 124 9.947 2.778 -2.586 1.00 0.66 H new ATOM 0 HB3 PRO A 124 8.711 3.294 -1.456 1.00 0.66 H new ATOM 0 HG2 PRO A 124 11.630 3.887 -1.455 1.00 0.70 H new ATOM 0 HG3 PRO A 124 10.304 4.846 -0.827 1.00 0.70 H new ATOM 0 HD2 PRO A 124 11.937 3.564 0.870 1.00 0.46 H new ATOM 0 HD3 PRO A 124 10.219 3.634 1.212 1.00 0.46 H new ATOM 1880 N ASP A 125 11.448 0.579 -2.344 1.00 0.45 N ATOM 1881 CA ASP A 125 11.924 -0.362 -3.378 1.00 0.45 C ATOM 1882 C ASP A 125 11.720 -1.818 -2.981 1.00 0.38 C ATOM 1883 O ASP A 125 11.207 -2.607 -3.769 1.00 0.33 O ATOM 1884 CB ASP A 125 13.401 -0.121 -3.640 1.00 0.56 C ATOM 1885 CG ASP A 125 13.952 -0.972 -4.762 1.00 1.16 C ATOM 1886 OD1 ASP A 125 13.456 -0.855 -5.900 1.00 1.28 O ATOM 1887 OD2 ASP A 125 14.914 -1.735 -4.518 1.00 2.00 O ATOM 0 H ASP A 125 12.107 1.329 -2.135 1.00 0.45 H new ATOM 0 HA ASP A 125 11.336 -0.179 -4.277 1.00 0.45 H new ATOM 0 HB2 ASP A 125 13.554 0.931 -3.881 1.00 0.56 H new ATOM 0 HB3 ASP A 125 13.963 -0.324 -2.729 1.00 0.56 H new ATOM 1892 N ARG A 126 12.121 -2.167 -1.763 1.00 0.40 N ATOM 1893 CA ARG A 126 11.894 -3.511 -1.240 1.00 0.40 C ATOM 1894 C ARG A 126 10.433 -3.884 -1.379 1.00 0.34 C ATOM 1895 O ARG A 126 10.077 -4.846 -2.062 1.00 0.32 O ATOM 1896 CB ARG A 126 12.290 -3.581 0.235 1.00 0.47 C ATOM 1897 CG ARG A 126 11.790 -4.835 0.936 1.00 0.58 C ATOM 1898 CD ARG A 126 12.240 -6.096 0.220 1.00 1.25 C ATOM 1899 NE ARG A 126 11.594 -7.291 0.757 1.00 1.38 N ATOM 1900 CZ ARG A 126 11.363 -8.397 0.053 1.00 2.08 C ATOM 1901 NH1 ARG A 126 11.785 -8.492 -1.206 1.00 2.99 N ATOM 1902 NH2 ARG A 126 10.720 -9.414 0.613 1.00 2.15 N ATOM 0 H ARG A 126 12.604 -1.540 -1.120 1.00 0.40 H new ATOM 0 HA ARG A 126 12.505 -4.209 -1.812 1.00 0.40 H new ATOM 0 HB2 ARG A 126 13.376 -3.538 0.314 1.00 0.47 H new ATOM 0 HB3 ARG A 126 11.898 -2.705 0.751 1.00 0.47 H new ATOM 0 HG2 ARG A 126 12.157 -4.849 1.962 1.00 0.58 H new ATOM 0 HG3 ARG A 126 10.701 -4.814 0.987 1.00 0.58 H new ATOM 0 HD2 ARG A 126 12.015 -6.009 -0.843 1.00 1.25 H new ATOM 0 HD3 ARG A 126 13.322 -6.197 0.310 1.00 1.25 H new ATOM 0 HE ARG A 126 11.301 -7.277 1.734 1.00 1.38 H new ATOM 0 HH11 ARG A 126 12.288 -7.715 -1.635 1.00 2.99 H new ATOM 0 HH12 ARG A 126 11.606 -9.342 -1.741 1.00 2.99 H new ATOM 0 HH21 ARG A 126 10.404 -9.347 1.581 1.00 2.15 H new ATOM 0 HH22 ARG A 126 10.542 -10.263 0.076 1.00 2.15 H new ATOM 1916 N VAL A 127 9.609 -3.095 -0.723 1.00 0.34 N ATOM 1917 CA VAL A 127 8.158 -3.276 -0.749 1.00 0.34 C ATOM 1918 C VAL A 127 7.647 -3.310 -2.191 1.00 0.31 C ATOM 1919 O VAL A 127 6.861 -4.172 -2.565 1.00 0.33 O ATOM 1920 CB VAL A 127 7.441 -2.143 0.013 1.00 0.37 C ATOM 1921 CG1 VAL A 127 5.935 -2.372 0.041 1.00 0.39 C ATOM 1922 CG2 VAL A 127 7.991 -2.017 1.425 1.00 0.40 C ATOM 0 H VAL A 127 9.918 -2.307 -0.154 1.00 0.34 H new ATOM 0 HA VAL A 127 7.939 -4.225 -0.260 1.00 0.34 H new ATOM 0 HB VAL A 127 7.630 -1.208 -0.515 1.00 0.37 H new ATOM 0 HG11 VAL A 127 5.453 -1.559 0.584 1.00 0.39 H new ATOM 0 HG12 VAL A 127 5.553 -2.403 -0.979 1.00 0.39 H new ATOM 0 HG13 VAL A 127 5.720 -3.318 0.538 1.00 0.39 H new ATOM 0 HG21 VAL A 127 7.473 -1.212 1.947 1.00 0.40 H new ATOM 0 HG22 VAL A 127 7.838 -2.954 1.960 1.00 0.40 H new ATOM 0 HG23 VAL A 127 9.057 -1.794 1.382 1.00 0.40 H new ATOM 1932 N MET A 128 8.135 -2.382 -2.998 1.00 0.28 N ATOM 1933 CA MET A 128 7.719 -2.263 -4.387 1.00 0.26 C ATOM 1934 C MET A 128 8.089 -3.513 -5.178 1.00 0.25 C ATOM 1935 O MET A 128 7.368 -3.917 -6.095 1.00 0.25 O ATOM 1936 CB MET A 128 8.357 -1.022 -5.026 1.00 0.25 C ATOM 1937 CG MET A 128 8.037 0.279 -4.304 1.00 0.27 C ATOM 1938 SD MET A 128 8.858 1.720 -5.018 1.00 0.30 S ATOM 1939 CE MET A 128 7.997 1.867 -6.579 1.00 0.29 C ATOM 0 H MET A 128 8.829 -1.692 -2.710 1.00 0.28 H new ATOM 0 HA MET A 128 6.634 -2.156 -4.410 1.00 0.26 H new ATOM 0 HB2 MET A 128 9.439 -1.155 -5.052 1.00 0.25 H new ATOM 0 HB3 MET A 128 8.020 -0.944 -6.060 1.00 0.25 H new ATOM 0 HG2 MET A 128 6.959 0.439 -4.321 1.00 0.27 H new ATOM 0 HG3 MET A 128 8.329 0.186 -3.258 1.00 0.27 H new ATOM 0 HE1 MET A 128 8.598 2.456 -7.272 1.00 0.29 H new ATOM 0 HE2 MET A 128 7.830 0.874 -6.997 1.00 0.29 H new ATOM 0 HE3 MET A 128 7.038 2.360 -6.421 1.00 0.29 H new ATOM 1949 N GLN A 129 9.204 -4.134 -4.814 1.00 0.25 N ATOM 1950 CA GLN A 129 9.638 -5.358 -5.471 1.00 0.26 C ATOM 1951 C GLN A 129 8.757 -6.531 -5.083 1.00 0.29 C ATOM 1952 O GLN A 129 8.684 -7.516 -5.810 1.00 0.31 O ATOM 1953 CB GLN A 129 11.092 -5.682 -5.150 1.00 0.29 C ATOM 1954 CG GLN A 129 12.089 -4.978 -6.049 1.00 0.31 C ATOM 1955 CD GLN A 129 13.508 -5.431 -5.784 1.00 0.46 C ATOM 1956 OE1 GLN A 129 14.214 -4.865 -4.951 1.00 1.16 O ATOM 1957 NE2 GLN A 129 13.931 -6.478 -6.473 1.00 1.28 N ATOM 0 H GLN A 129 9.822 -3.811 -4.070 1.00 0.25 H new ATOM 0 HA GLN A 129 9.550 -5.189 -6.544 1.00 0.26 H new ATOM 0 HB2 GLN A 129 11.295 -5.409 -4.114 1.00 0.29 H new ATOM 0 HB3 GLN A 129 11.241 -6.759 -5.231 1.00 0.29 H new ATOM 0 HG2 GLN A 129 11.836 -5.170 -7.092 1.00 0.31 H new ATOM 0 HG3 GLN A 129 12.018 -3.901 -5.897 1.00 0.31 H new ATOM 0 HE21 GLN A 129 13.316 -6.921 -7.156 1.00 1.28 H new ATOM 0 HE22 GLN A 129 14.872 -6.842 -6.321 1.00 1.28 H new ATOM 1966 N GLU A 130 8.095 -6.434 -3.939 1.00 0.33 N ATOM 1967 CA GLU A 130 7.158 -7.471 -3.532 1.00 0.38 C ATOM 1968 C GLU A 130 5.919 -7.380 -4.394 1.00 0.33 C ATOM 1969 O GLU A 130 5.305 -8.386 -4.728 1.00 0.36 O ATOM 1970 CB GLU A 130 6.766 -7.336 -2.064 1.00 0.48 C ATOM 1971 CG GLU A 130 7.894 -6.843 -1.193 1.00 0.71 C ATOM 1972 CD GLU A 130 7.552 -6.857 0.282 1.00 1.18 C ATOM 1973 OE1 GLU A 130 6.734 -6.026 0.721 1.00 2.02 O ATOM 1974 OE2 GLU A 130 8.112 -7.696 1.020 1.00 1.46 O ATOM 0 H GLU A 130 8.187 -5.658 -3.283 1.00 0.33 H new ATOM 0 HA GLU A 130 7.644 -8.438 -3.659 1.00 0.38 H new ATOM 0 HB2 GLU A 130 5.924 -6.649 -1.981 1.00 0.48 H new ATOM 0 HB3 GLU A 130 6.426 -8.303 -1.695 1.00 0.48 H new ATOM 0 HG2 GLU A 130 8.774 -7.463 -1.362 1.00 0.71 H new ATOM 0 HG3 GLU A 130 8.158 -5.828 -1.490 1.00 0.71 H new ATOM 1981 N LEU A 131 5.577 -6.168 -4.799 1.00 0.29 N ATOM 1982 CA LEU A 131 4.400 -5.975 -5.630 1.00 0.29 C ATOM 1983 C LEU A 131 4.679 -6.488 -7.011 1.00 0.24 C ATOM 1984 O LEU A 131 3.882 -7.214 -7.601 1.00 0.25 O ATOM 1985 CB LEU A 131 3.994 -4.508 -5.684 1.00 0.32 C ATOM 1986 CG LEU A 131 3.168 -4.044 -4.497 1.00 0.48 C ATOM 1987 CD1 LEU A 131 1.949 -4.917 -4.356 1.00 0.34 C ATOM 1988 CD2 LEU A 131 3.990 -4.105 -3.241 1.00 1.06 C ATOM 0 H LEU A 131 6.088 -5.315 -4.571 1.00 0.29 H new ATOM 0 HA LEU A 131 3.571 -6.530 -5.192 1.00 0.29 H new ATOM 0 HB2 LEU A 131 4.894 -3.896 -5.747 1.00 0.32 H new ATOM 0 HB3 LEU A 131 3.426 -4.334 -6.598 1.00 0.32 H new ATOM 0 HG LEU A 131 2.854 -3.013 -4.662 1.00 0.48 H new ATOM 0 HD11 LEU A 131 1.358 -4.582 -3.504 1.00 0.34 H new ATOM 0 HD12 LEU A 131 1.348 -4.851 -5.263 1.00 0.34 H new ATOM 0 HD13 LEU A 131 2.258 -5.951 -4.200 1.00 0.34 H new ATOM 0 HD21 LEU A 131 3.388 -3.770 -2.396 1.00 1.06 H new ATOM 0 HD22 LEU A 131 4.317 -5.131 -3.070 1.00 1.06 H new ATOM 0 HD23 LEU A 131 4.861 -3.459 -3.345 1.00 1.06 H new ATOM 2000 N MET A 132 5.849 -6.148 -7.502 1.00 0.21 N ATOM 2001 CA MET A 132 6.276 -6.619 -8.792 1.00 0.22 C ATOM 2002 C MET A 132 6.706 -8.077 -8.692 1.00 0.26 C ATOM 2003 O MET A 132 7.037 -8.707 -9.694 1.00 0.32 O ATOM 2004 CB MET A 132 7.396 -5.737 -9.319 1.00 0.23 C ATOM 2005 CG MET A 132 8.773 -6.053 -8.765 1.00 0.26 C ATOM 2006 SD MET A 132 9.732 -7.073 -9.893 1.00 0.35 S ATOM 2007 CE MET A 132 9.286 -6.287 -11.438 1.00 0.32 C ATOM 0 H MET A 132 6.520 -5.546 -7.024 1.00 0.21 H new ATOM 0 HA MET A 132 5.448 -6.562 -9.498 1.00 0.22 H new ATOM 0 HB2 MET A 132 7.428 -5.826 -10.405 1.00 0.23 H new ATOM 0 HB3 MET A 132 7.158 -4.698 -9.091 1.00 0.23 H new ATOM 0 HG2 MET A 132 9.309 -5.124 -8.572 1.00 0.26 H new ATOM 0 HG3 MET A 132 8.671 -6.567 -7.809 1.00 0.26 H new ATOM 0 HE1 MET A 132 10.064 -6.472 -12.178 1.00 0.32 H new ATOM 0 HE2 MET A 132 8.341 -6.696 -11.795 1.00 0.32 H new ATOM 0 HE3 MET A 132 9.181 -5.213 -11.283 1.00 0.32 H new ATOM 2017 N GLU A 133 6.657 -8.625 -7.476 1.00 0.27 N ATOM 2018 CA GLU A 133 6.906 -10.036 -7.279 1.00 0.35 C ATOM 2019 C GLU A 133 5.649 -10.773 -7.673 1.00 0.34 C ATOM 2020 O GLU A 133 5.693 -11.892 -8.181 1.00 0.40 O ATOM 2021 CB GLU A 133 7.278 -10.342 -5.822 1.00 0.44 C ATOM 2022 CG GLU A 133 7.572 -11.810 -5.553 1.00 0.67 C ATOM 2023 CD GLU A 133 8.754 -12.324 -6.345 1.00 1.30 C ATOM 2024 OE1 GLU A 133 8.586 -12.631 -7.544 1.00 2.18 O ATOM 2025 OE2 GLU A 133 9.860 -12.423 -5.779 1.00 1.55 O ATOM 0 H GLU A 133 6.447 -8.107 -6.622 1.00 0.27 H new ATOM 0 HA GLU A 133 7.750 -10.355 -7.890 1.00 0.35 H new ATOM 0 HB2 GLU A 133 8.153 -9.751 -5.549 1.00 0.44 H new ATOM 0 HB3 GLU A 133 6.462 -10.021 -5.174 1.00 0.44 H new ATOM 0 HG2 GLU A 133 7.765 -11.949 -4.489 1.00 0.67 H new ATOM 0 HG3 GLU A 133 6.691 -12.403 -5.797 1.00 0.67 H new ATOM 2032 N TYR A 134 4.510 -10.113 -7.465 1.00 0.30 N ATOM 2033 CA TYR A 134 3.257 -10.639 -7.960 1.00 0.34 C ATOM 2034 C TYR A 134 3.011 -10.102 -9.370 1.00 0.36 C ATOM 2035 O TYR A 134 1.938 -10.275 -9.949 1.00 0.44 O ATOM 2036 CB TYR A 134 2.150 -10.298 -6.984 1.00 0.32 C ATOM 2037 CG TYR A 134 2.524 -10.716 -5.582 1.00 0.37 C ATOM 2038 CD1 TYR A 134 2.728 -12.057 -5.271 1.00 0.51 C ATOM 2039 CD2 TYR A 134 2.749 -9.774 -4.590 1.00 0.37 C ATOM 2040 CE1 TYR A 134 3.131 -12.444 -4.010 1.00 0.61 C ATOM 2041 CE2 TYR A 134 3.165 -10.152 -3.332 1.00 0.49 C ATOM 2042 CZ TYR A 134 3.350 -11.489 -3.045 1.00 0.57 C ATOM 2043 OH TYR A 134 3.766 -11.870 -1.789 1.00 0.74 O ATOM 0 H TYR A 134 4.438 -9.227 -6.964 1.00 0.30 H new ATOM 0 HA TYR A 134 3.286 -11.726 -8.034 1.00 0.34 H new ATOM 0 HB2 TYR A 134 1.955 -9.226 -7.009 1.00 0.32 H new ATOM 0 HB3 TYR A 134 1.228 -10.797 -7.284 1.00 0.32 H new ATOM 0 HD1 TYR A 134 2.568 -12.808 -6.030 1.00 0.51 H new ATOM 0 HD2 TYR A 134 2.596 -8.727 -4.807 1.00 0.37 H new ATOM 0 HE1 TYR A 134 3.274 -13.490 -3.782 1.00 0.61 H new ATOM 0 HE2 TYR A 134 3.346 -9.405 -2.573 1.00 0.49 H new ATOM 0 HH TYR A 134 3.876 -11.076 -1.226 1.00 0.74 H new ATOM 2053 N ASN A 135 4.065 -9.461 -9.897 1.00 0.35 N ATOM 2054 CA ASN A 135 4.128 -8.938 -11.265 1.00 0.38 C ATOM 2055 C ASN A 135 3.297 -7.673 -11.386 1.00 0.42 C ATOM 2056 O ASN A 135 2.973 -7.215 -12.481 1.00 0.59 O ATOM 2057 CB ASN A 135 3.689 -9.993 -12.288 1.00 0.47 C ATOM 2058 CG ASN A 135 4.217 -9.718 -13.684 1.00 1.19 C ATOM 2059 OD1 ASN A 135 3.575 -9.047 -14.491 1.00 1.94 O ATOM 2060 ND2 ASN A 135 5.392 -10.253 -13.980 1.00 1.89 N ATOM 0 H ASN A 135 4.919 -9.289 -9.367 1.00 0.35 H new ATOM 0 HA ASN A 135 5.166 -8.688 -11.486 1.00 0.38 H new ATOM 0 HB2 ASN A 135 4.034 -10.974 -11.961 1.00 0.47 H new ATOM 0 HB3 ASN A 135 2.600 -10.032 -12.318 1.00 0.47 H new ATOM 0 HD21 ASN A 135 5.796 -10.115 -14.906 1.00 1.89 H new ATOM 0 HD22 ASN A 135 5.892 -10.803 -13.282 1.00 1.89 H new ATOM 2067 N LEU A 136 2.981 -7.092 -10.248 1.00 0.38 N ATOM 2068 CA LEU A 136 2.315 -5.816 -10.217 1.00 0.46 C ATOM 2069 C LEU A 136 3.363 -4.730 -10.164 1.00 0.39 C ATOM 2070 O LEU A 136 3.624 -4.119 -9.126 1.00 0.43 O ATOM 2071 CB LEU A 136 1.341 -5.712 -9.058 1.00 0.62 C ATOM 2072 CG LEU A 136 0.056 -6.523 -9.217 1.00 0.89 C ATOM 2073 CD1 LEU A 136 0.259 -7.954 -8.758 1.00 1.68 C ATOM 2074 CD2 LEU A 136 -1.083 -5.869 -8.459 1.00 1.44 C ATOM 0 H LEU A 136 3.178 -7.489 -9.329 1.00 0.38 H new ATOM 0 HA LEU A 136 1.717 -5.701 -11.121 1.00 0.46 H new ATOM 0 HB2 LEU A 136 1.847 -6.036 -8.148 1.00 0.62 H new ATOM 0 HB3 LEU A 136 1.076 -4.664 -8.919 1.00 0.62 H new ATOM 0 HG LEU A 136 -0.205 -6.545 -10.275 1.00 0.89 H new ATOM 0 HD11 LEU A 136 -0.670 -8.511 -8.881 1.00 1.68 H new ATOM 0 HD12 LEU A 136 1.043 -8.420 -9.355 1.00 1.68 H new ATOM 0 HD13 LEU A 136 0.550 -7.961 -7.708 1.00 1.68 H new ATOM 0 HD21 LEU A 136 -1.990 -6.460 -8.584 1.00 1.44 H new ATOM 0 HD22 LEU A 136 -0.830 -5.812 -7.400 1.00 1.44 H new ATOM 0 HD23 LEU A 136 -1.249 -4.864 -8.847 1.00 1.44 H new ATOM 2086 N VAL A 137 4.017 -4.564 -11.294 1.00 0.33 N ATOM 2087 CA VAL A 137 5.067 -3.581 -11.446 1.00 0.27 C ATOM 2088 C VAL A 137 4.524 -2.183 -11.247 1.00 0.26 C ATOM 2089 O VAL A 137 3.509 -1.814 -11.822 1.00 0.27 O ATOM 2090 CB VAL A 137 5.729 -3.645 -12.834 1.00 0.27 C ATOM 2091 CG1 VAL A 137 7.212 -3.961 -12.699 1.00 0.61 C ATOM 2092 CG2 VAL A 137 5.026 -4.657 -13.732 1.00 0.49 C ATOM 0 H VAL A 137 3.834 -5.110 -12.136 1.00 0.33 H new ATOM 0 HA VAL A 137 5.814 -3.812 -10.687 1.00 0.27 H new ATOM 0 HB VAL A 137 5.631 -2.668 -13.307 1.00 0.27 H new ATOM 0 HG11 VAL A 137 7.667 -4.003 -13.689 1.00 0.61 H new ATOM 0 HG12 VAL A 137 7.698 -3.183 -12.109 1.00 0.61 H new ATOM 0 HG13 VAL A 137 7.335 -4.923 -12.202 1.00 0.61 H new ATOM 0 HG21 VAL A 137 5.515 -4.681 -14.706 1.00 0.49 H new ATOM 0 HG22 VAL A 137 5.077 -5.646 -13.276 1.00 0.49 H new ATOM 0 HG23 VAL A 137 3.982 -4.369 -13.857 1.00 0.49 H new ATOM 2102 N PRO A 138 5.189 -1.404 -10.400 1.00 0.25 N ATOM 2103 CA PRO A 138 4.867 0.002 -10.197 1.00 0.27 C ATOM 2104 C PRO A 138 4.770 0.779 -11.500 1.00 0.30 C ATOM 2105 O PRO A 138 5.348 0.400 -12.518 1.00 0.29 O ATOM 2106 CB PRO A 138 6.050 0.533 -9.413 1.00 0.30 C ATOM 2107 CG PRO A 138 6.624 -0.641 -8.717 1.00 0.29 C ATOM 2108 CD PRO A 138 6.279 -1.861 -9.528 1.00 0.27 C ATOM 0 HA PRO A 138 3.901 0.109 -9.704 1.00 0.27 H new ATOM 0 HB2 PRO A 138 6.784 0.994 -10.074 1.00 0.30 H new ATOM 0 HB3 PRO A 138 5.738 1.297 -8.701 1.00 0.30 H new ATOM 0 HG2 PRO A 138 7.705 -0.538 -8.620 1.00 0.29 H new ATOM 0 HG3 PRO A 138 6.220 -0.724 -7.708 1.00 0.29 H new ATOM 0 HD2 PRO A 138 7.134 -2.212 -10.106 1.00 0.27 H new ATOM 0 HD3 PRO A 138 5.963 -2.688 -8.892 1.00 0.27 H new ATOM 2116 N GLU A 139 4.069 1.891 -11.435 1.00 0.35 N ATOM 2117 CA GLU A 139 3.960 2.796 -12.570 1.00 0.40 C ATOM 2118 C GLU A 139 5.271 3.526 -12.728 1.00 0.42 C ATOM 2119 O GLU A 139 5.649 3.932 -13.826 1.00 0.50 O ATOM 2120 CB GLU A 139 2.831 3.797 -12.383 1.00 0.47 C ATOM 2121 CG GLU A 139 1.450 3.176 -12.444 1.00 0.80 C ATOM 2122 CD GLU A 139 0.434 4.122 -13.046 1.00 1.49 C ATOM 2123 OE1 GLU A 139 0.008 5.060 -12.338 1.00 1.98 O ATOM 2124 OE2 GLU A 139 0.041 3.916 -14.211 1.00 2.01 O ATOM 0 H GLU A 139 3.561 2.195 -10.604 1.00 0.35 H new ATOM 0 HA GLU A 139 3.735 2.213 -13.463 1.00 0.40 H new ATOM 0 HB2 GLU A 139 2.954 4.294 -11.421 1.00 0.47 H new ATOM 0 HB3 GLU A 139 2.908 4.566 -13.152 1.00 0.47 H new ATOM 0 HG2 GLU A 139 1.489 2.261 -13.035 1.00 0.80 H new ATOM 0 HG3 GLU A 139 1.134 2.894 -11.440 1.00 0.80 H new ATOM 2131 N GLU A 140 5.938 3.708 -11.595 1.00 0.42 N ATOM 2132 CA GLU A 140 7.337 4.056 -11.560 1.00 0.44 C ATOM 2133 C GLU A 140 8.108 3.257 -12.580 1.00 0.43 C ATOM 2134 O GLU A 140 8.798 3.794 -13.442 1.00 0.51 O ATOM 2135 CB GLU A 140 7.900 3.681 -10.203 1.00 0.45 C ATOM 2136 CG GLU A 140 7.681 4.686 -9.125 1.00 0.75 C ATOM 2137 CD GLU A 140 6.218 5.018 -8.886 1.00 0.87 C ATOM 2138 OE1 GLU A 140 5.400 4.080 -8.767 1.00 1.01 O ATOM 2139 OE2 GLU A 140 5.878 6.218 -8.806 1.00 1.14 O ATOM 0 H GLU A 140 5.513 3.616 -10.673 1.00 0.42 H new ATOM 0 HA GLU A 140 7.429 5.123 -11.763 1.00 0.44 H new ATOM 0 HB2 GLU A 140 7.456 2.736 -9.892 1.00 0.45 H new ATOM 0 HB3 GLU A 140 8.972 3.511 -10.307 1.00 0.45 H new ATOM 0 HG2 GLU A 140 8.115 4.312 -8.198 1.00 0.75 H new ATOM 0 HG3 GLU A 140 8.215 5.601 -9.380 1.00 0.75 H new ATOM 2146 N TRP A 141 7.957 1.954 -12.461 1.00 0.35 N ATOM 2147 CA TRP A 141 8.816 1.028 -13.152 1.00 0.35 C ATOM 2148 C TRP A 141 8.249 0.661 -14.517 1.00 0.38 C ATOM 2149 O TRP A 141 8.989 0.248 -15.407 1.00 0.45 O ATOM 2150 CB TRP A 141 9.054 -0.200 -12.297 1.00 0.32 C ATOM 2151 CG TRP A 141 9.495 0.085 -10.872 1.00 0.29 C ATOM 2152 CD1 TRP A 141 9.754 1.302 -10.264 1.00 0.34 C ATOM 2153 CD2 TRP A 141 9.693 -0.900 -9.855 1.00 0.25 C ATOM 2154 NE1 TRP A 141 10.106 1.104 -8.956 1.00 0.31 N ATOM 2155 CE2 TRP A 141 10.077 -0.232 -8.679 1.00 0.26 C ATOM 2156 CE3 TRP A 141 9.589 -2.285 -9.835 1.00 0.23 C ATOM 2157 CZ2 TRP A 141 10.339 -0.906 -7.490 1.00 0.24 C ATOM 2158 CZ3 TRP A 141 9.838 -2.956 -8.651 1.00 0.23 C ATOM 2159 CH2 TRP A 141 10.213 -2.267 -7.490 1.00 0.23 C ATOM 0 H TRP A 141 7.239 1.514 -11.885 1.00 0.35 H new ATOM 0 HA TRP A 141 9.777 1.511 -13.327 1.00 0.35 H new ATOM 0 HB2 TRP A 141 8.136 -0.786 -12.267 1.00 0.32 H new ATOM 0 HB3 TRP A 141 9.811 -0.818 -12.779 1.00 0.32 H new ATOM 0 HD1 TRP A 141 9.688 2.264 -10.750 1.00 0.34 H new ATOM 0 HE1 TRP A 141 10.351 1.839 -8.293 1.00 0.31 H new ATOM 0 HE3 TRP A 141 9.318 -2.829 -10.728 1.00 0.23 H new ATOM 0 HZ2 TRP A 141 10.632 -0.372 -6.598 1.00 0.24 H new ATOM 0 HZ3 TRP A 141 9.742 -4.031 -8.621 1.00 0.23 H new ATOM 0 HH2 TRP A 141 10.405 -2.819 -6.582 1.00 0.23 H new ATOM 2170 N GLY A 142 6.941 0.806 -14.688 1.00 0.35 N ATOM 2171 CA GLY A 142 6.370 0.661 -16.010 1.00 0.39 C ATOM 2172 C GLY A 142 5.384 -0.475 -16.089 1.00 0.38 C ATOM 2173 O GLY A 142 5.176 -1.057 -17.153 1.00 0.45 O ATOM 0 H GLY A 142 6.275 1.018 -13.946 1.00 0.35 H new ATOM 0 HA2 GLY A 142 5.874 1.589 -16.292 1.00 0.39 H new ATOM 0 HA3 GLY A 142 7.170 0.495 -16.732 1.00 0.39 H new ATOM 2177 N GLY A 143 4.789 -0.801 -14.955 1.00 0.33 N ATOM 2178 CA GLY A 143 3.783 -1.842 -14.927 1.00 0.34 C ATOM 2179 C GLY A 143 2.379 -1.293 -14.851 1.00 0.37 C ATOM 2180 O GLY A 143 1.909 -0.644 -15.782 1.00 0.50 O ATOM 0 H GLY A 143 4.983 -0.365 -14.053 1.00 0.33 H new ATOM 0 HA2 GLY A 143 3.880 -2.459 -15.820 1.00 0.34 H new ATOM 0 HA3 GLY A 143 3.962 -2.491 -14.070 1.00 0.34 H new ATOM 2184 N ASP A 144 1.715 -1.548 -13.737 1.00 0.33 N ATOM 2185 CA ASP A 144 0.337 -1.113 -13.554 1.00 0.40 C ATOM 2186 C ASP A 144 -0.005 -0.943 -12.074 1.00 0.30 C ATOM 2187 O ASP A 144 -1.157 -1.113 -11.662 1.00 0.32 O ATOM 2188 CB ASP A 144 -0.644 -2.093 -14.224 1.00 0.57 C ATOM 2189 CG ASP A 144 -0.431 -3.542 -13.812 1.00 0.93 C ATOM 2190 OD1 ASP A 144 -1.048 -3.988 -12.825 1.00 1.30 O ATOM 2191 OD2 ASP A 144 0.351 -4.244 -14.494 1.00 1.19 O ATOM 0 H ASP A 144 2.107 -2.055 -12.943 1.00 0.33 H new ATOM 0 HA ASP A 144 0.236 -0.140 -14.035 1.00 0.40 H new ATOM 0 HB2 ASP A 144 -1.664 -1.799 -13.977 1.00 0.57 H new ATOM 0 HB3 ASP A 144 -0.543 -2.013 -15.306 1.00 0.57 H new ATOM 2196 N THR A 145 0.990 -0.592 -11.265 1.00 0.25 N ATOM 2197 CA THR A 145 0.746 -0.417 -9.832 1.00 0.24 C ATOM 2198 C THR A 145 1.187 0.961 -9.333 1.00 0.24 C ATOM 2199 O THR A 145 2.341 1.354 -9.482 1.00 0.31 O ATOM 2200 CB THR A 145 1.443 -1.525 -9.029 1.00 0.25 C ATOM 2201 OG1 THR A 145 1.047 -2.789 -9.562 1.00 0.32 O ATOM 2202 CG2 THR A 145 1.074 -1.460 -7.554 1.00 0.28 C ATOM 0 H THR A 145 1.951 -0.426 -11.564 1.00 0.25 H new ATOM 0 HA THR A 145 -0.331 -0.487 -9.678 1.00 0.24 H new ATOM 0 HB THR A 145 2.522 -1.391 -9.110 1.00 0.25 H new ATOM 0 HG1 THR A 145 0.106 -2.955 -9.345 1.00 0.32 H new ATOM 0 HG21 THR A 145 1.585 -2.258 -7.016 1.00 0.28 H new ATOM 0 HG22 THR A 145 1.376 -0.496 -7.145 1.00 0.28 H new ATOM 0 HG23 THR A 145 -0.004 -1.579 -7.443 1.00 0.28 H new ATOM 2210 N ILE A 146 0.258 1.686 -8.724 1.00 0.26 N ATOM 2211 CA ILE A 146 0.511 3.058 -8.294 1.00 0.27 C ATOM 2212 C ILE A 146 1.016 3.107 -6.851 1.00 0.24 C ATOM 2213 O ILE A 146 0.239 2.971 -5.911 1.00 0.26 O ATOM 2214 CB ILE A 146 -0.755 3.946 -8.394 1.00 0.35 C ATOM 2215 CG1 ILE A 146 -1.341 3.944 -9.811 1.00 0.48 C ATOM 2216 CG2 ILE A 146 -0.428 5.368 -7.971 1.00 0.34 C ATOM 2217 CD1 ILE A 146 -2.195 2.733 -10.134 1.00 1.23 C ATOM 0 H ILE A 146 -0.681 1.347 -8.515 1.00 0.26 H new ATOM 0 HA ILE A 146 1.274 3.445 -8.969 1.00 0.27 H new ATOM 0 HB ILE A 146 -1.506 3.528 -7.723 1.00 0.35 H new ATOM 0 HG12 ILE A 146 -1.942 4.843 -9.944 1.00 0.48 H new ATOM 0 HG13 ILE A 146 -0.523 3.999 -10.529 1.00 0.48 H new ATOM 0 HG21 ILE A 146 -1.324 5.985 -8.045 1.00 0.34 H new ATOM 0 HG22 ILE A 146 -0.071 5.368 -6.941 1.00 0.34 H new ATOM 0 HG23 ILE A 146 0.346 5.773 -8.623 1.00 0.34 H new ATOM 0 HD11 ILE A 146 -2.569 2.813 -11.155 1.00 1.23 H new ATOM 0 HD12 ILE A 146 -1.595 1.828 -10.037 1.00 1.23 H new ATOM 0 HD13 ILE A 146 -3.036 2.686 -9.442 1.00 1.23 H new ATOM 2229 N PHE A 147 2.312 3.316 -6.680 1.00 0.23 N ATOM 2230 CA PHE A 147 2.909 3.385 -5.345 1.00 0.22 C ATOM 2231 C PHE A 147 2.813 4.785 -4.753 1.00 0.24 C ATOM 2232 O PHE A 147 3.233 5.764 -5.372 1.00 0.38 O ATOM 2233 CB PHE A 147 4.367 2.947 -5.390 1.00 0.23 C ATOM 2234 CG PHE A 147 4.508 1.466 -5.334 1.00 0.21 C ATOM 2235 CD1 PHE A 147 4.360 0.706 -6.479 1.00 0.20 C ATOM 2236 CD2 PHE A 147 4.822 0.836 -4.147 1.00 0.21 C ATOM 2237 CE1 PHE A 147 4.517 -0.663 -6.439 1.00 0.20 C ATOM 2238 CE2 PHE A 147 4.985 -0.531 -4.100 1.00 0.22 C ATOM 2239 CZ PHE A 147 4.712 -1.292 -5.214 1.00 0.19 C ATOM 0 H PHE A 147 2.975 3.441 -7.445 1.00 0.23 H new ATOM 0 HA PHE A 147 2.345 2.707 -4.704 1.00 0.22 H new ATOM 0 HB2 PHE A 147 4.829 3.321 -6.304 1.00 0.23 H new ATOM 0 HB3 PHE A 147 4.905 3.394 -4.554 1.00 0.23 H new ATOM 0 HD1 PHE A 147 4.119 1.189 -7.414 1.00 0.20 H new ATOM 0 HD2 PHE A 147 4.941 1.420 -3.246 1.00 0.21 H new ATOM 0 HE1 PHE A 147 4.489 -1.242 -7.350 1.00 0.20 H new ATOM 0 HE2 PHE A 147 5.326 -1.005 -3.191 1.00 0.22 H new ATOM 0 HZ PHE A 147 4.650 -2.367 -5.138 1.00 0.19 H new ATOM 2249 N CYS A 148 2.256 4.860 -3.555 1.00 0.25 N ATOM 2250 CA CYS A 148 2.147 6.108 -2.819 1.00 0.28 C ATOM 2251 C CYS A 148 2.736 5.943 -1.428 1.00 0.26 C ATOM 2252 O CYS A 148 2.334 5.048 -0.690 1.00 0.32 O ATOM 2253 CB CYS A 148 0.681 6.509 -2.690 1.00 0.30 C ATOM 2254 SG CYS A 148 -0.196 6.627 -4.268 1.00 1.10 S ATOM 0 H CYS A 148 1.866 4.055 -3.065 1.00 0.25 H new ATOM 0 HA CYS A 148 2.694 6.881 -3.360 1.00 0.28 H new ATOM 0 HB2 CYS A 148 0.171 5.782 -2.057 1.00 0.30 H new ATOM 0 HB3 CYS A 148 0.622 7.471 -2.181 1.00 0.30 H new ATOM 0 HG CYS A 148 -0.647 7.836 -4.424 1.00 1.10 H new ATOM 2260 N LYS A 149 3.688 6.786 -1.071 1.00 0.37 N ATOM 2261 CA LYS A 149 4.230 6.774 0.278 1.00 0.38 C ATOM 2262 C LYS A 149 3.567 7.877 1.100 1.00 0.39 C ATOM 2263 O LYS A 149 4.046 9.008 1.168 1.00 0.47 O ATOM 2264 CB LYS A 149 5.759 6.922 0.264 1.00 0.47 C ATOM 2265 CG LYS A 149 6.272 8.137 -0.496 1.00 0.64 C ATOM 2266 CD LYS A 149 7.777 8.295 -0.335 1.00 0.94 C ATOM 2267 CE LYS A 149 8.540 7.198 -1.055 1.00 1.57 C ATOM 2268 NZ LYS A 149 10.002 7.287 -0.805 1.00 2.44 N ATOM 0 H LYS A 149 4.100 7.484 -1.691 1.00 0.37 H new ATOM 0 HA LYS A 149 4.011 5.812 0.742 1.00 0.38 H new ATOM 0 HB2 LYS A 149 6.115 6.977 1.293 1.00 0.47 H new ATOM 0 HB3 LYS A 149 6.194 6.025 -0.176 1.00 0.47 H new ATOM 0 HG2 LYS A 149 6.026 8.038 -1.553 1.00 0.64 H new ATOM 0 HG3 LYS A 149 5.769 9.034 -0.134 1.00 0.64 H new ATOM 0 HD2 LYS A 149 8.084 9.266 -0.723 1.00 0.94 H new ATOM 0 HD3 LYS A 149 8.033 8.280 0.725 1.00 0.94 H new ATOM 0 HE2 LYS A 149 8.174 6.225 -0.727 1.00 1.57 H new ATOM 0 HE3 LYS A 149 8.350 7.266 -2.126 1.00 1.57 H new ATOM 0 HZ1 LYS A 149 10.516 6.826 -1.583 1.00 2.44 H new ATOM 0 HZ2 LYS A 149 10.284 8.286 -0.748 1.00 2.44 H new ATOM 0 HZ3 LYS A 149 10.231 6.811 0.091 1.00 2.44 H new ATOM 2282 N LEU A 150 2.432 7.551 1.695 1.00 0.40 N ATOM 2283 CA LEU A 150 1.623 8.537 2.384 1.00 0.45 C ATOM 2284 C LEU A 150 1.698 8.398 3.896 1.00 0.45 C ATOM 2285 O LEU A 150 2.274 7.456 4.433 1.00 0.49 O ATOM 2286 CB LEU A 150 0.159 8.473 1.908 1.00 0.60 C ATOM 2287 CG LEU A 150 -0.673 7.213 2.234 1.00 0.49 C ATOM 2288 CD1 LEU A 150 0.114 5.932 2.070 1.00 1.25 C ATOM 2289 CD2 LEU A 150 -1.286 7.294 3.624 1.00 1.27 C ATOM 0 H LEU A 150 2.050 6.605 1.713 1.00 0.40 H new ATOM 0 HA LEU A 150 2.035 9.514 2.131 1.00 0.45 H new ATOM 0 HB2 LEU A 150 -0.363 9.332 2.329 1.00 0.60 H new ATOM 0 HB3 LEU A 150 0.158 8.599 0.825 1.00 0.60 H new ATOM 0 HG LEU A 150 -1.481 7.186 1.503 1.00 0.49 H new ATOM 0 HD11 LEU A 150 -0.522 5.081 2.313 1.00 1.25 H new ATOM 0 HD12 LEU A 150 0.458 5.846 1.039 1.00 1.25 H new ATOM 0 HD13 LEU A 150 0.974 5.945 2.740 1.00 1.25 H new ATOM 0 HD21 LEU A 150 -1.864 6.391 3.820 1.00 1.27 H new ATOM 0 HD22 LEU A 150 -0.493 7.385 4.367 1.00 1.27 H new ATOM 0 HD23 LEU A 150 -1.940 8.164 3.683 1.00 1.27 H new ATOM 2301 N SER A 151 1.076 9.352 4.568 1.00 0.49 N ATOM 2302 CA SER A 151 1.037 9.388 6.016 1.00 0.55 C ATOM 2303 C SER A 151 -0.134 10.237 6.487 1.00 0.57 C ATOM 2304 O SER A 151 -0.295 11.374 6.056 1.00 0.60 O ATOM 2305 CB SER A 151 2.352 9.920 6.563 1.00 0.66 C ATOM 2306 OG SER A 151 3.200 8.860 6.971 1.00 1.79 O ATOM 0 H SER A 151 0.583 10.125 4.121 1.00 0.49 H new ATOM 0 HA SER A 151 0.897 8.375 6.394 1.00 0.55 H new ATOM 0 HB2 SER A 151 2.852 10.517 5.800 1.00 0.66 H new ATOM 0 HB3 SER A 151 2.158 10.580 7.408 1.00 0.66 H new ATOM 0 HG SER A 151 4.040 9.228 7.317 1.00 1.79 H new ATOM 2312 N ALA A 152 -0.956 9.675 7.365 1.00 0.62 N ATOM 2313 CA ALA A 152 -2.136 10.368 7.879 1.00 0.70 C ATOM 2314 C ALA A 152 -1.752 11.339 8.986 1.00 0.74 C ATOM 2315 O ALA A 152 -2.586 12.075 9.508 1.00 0.87 O ATOM 2316 CB ALA A 152 -3.147 9.355 8.389 1.00 0.86 C ATOM 0 H ALA A 152 -0.827 8.735 7.739 1.00 0.62 H new ATOM 0 HA ALA A 152 -2.585 10.941 7.068 1.00 0.70 H new ATOM 0 HB1 ALA A 152 -4.024 9.877 8.771 1.00 0.86 H new ATOM 0 HB2 ALA A 152 -3.444 8.695 7.574 1.00 0.86 H new ATOM 0 HB3 ALA A 152 -2.699 8.765 9.189 1.00 0.86 H new ATOM 2322 N LYS A 153 -0.474 11.334 9.323 1.00 0.77 N ATOM 2323 CA LYS A 153 0.064 12.177 10.368 1.00 0.93 C ATOM 2324 C LYS A 153 0.161 13.607 9.878 1.00 0.86 C ATOM 2325 O LYS A 153 -0.216 14.554 10.569 1.00 0.96 O ATOM 2326 CB LYS A 153 1.438 11.670 10.741 1.00 1.13 C ATOM 2327 CG LYS A 153 1.478 10.178 11.020 1.00 1.19 C ATOM 2328 CD LYS A 153 1.013 9.849 12.431 1.00 1.68 C ATOM 2329 CE LYS A 153 2.018 10.316 13.474 1.00 2.31 C ATOM 2330 NZ LYS A 153 3.341 9.654 13.305 1.00 3.03 N ATOM 0 H LYS A 153 0.222 10.739 8.874 1.00 0.77 H new ATOM 0 HA LYS A 153 -0.591 12.149 11.239 1.00 0.93 H new ATOM 0 HB2 LYS A 153 2.133 11.899 9.933 1.00 1.13 H new ATOM 0 HB3 LYS A 153 1.787 12.206 11.623 1.00 1.13 H new ATOM 0 HG2 LYS A 153 0.847 9.658 10.300 1.00 1.19 H new ATOM 0 HG3 LYS A 153 2.494 9.810 10.878 1.00 1.19 H new ATOM 0 HD2 LYS A 153 0.049 10.322 12.617 1.00 1.68 H new ATOM 0 HD3 LYS A 153 0.864 8.773 12.524 1.00 1.68 H new ATOM 0 HE2 LYS A 153 2.141 11.397 13.402 1.00 2.31 H new ATOM 0 HE3 LYS A 153 1.631 10.105 14.471 1.00 2.31 H new ATOM 0 HZ1 LYS A 153 3.892 9.751 14.182 1.00 3.03 H new ATOM 0 HZ2 LYS A 153 3.200 8.645 13.094 1.00 3.03 H new ATOM 0 HZ3 LYS A 153 3.856 10.103 12.521 1.00 3.03 H new ATOM 2344 N THR A 154 0.696 13.742 8.681 1.00 0.78 N ATOM 2345 CA THR A 154 0.840 15.029 8.035 1.00 0.81 C ATOM 2346 C THR A 154 -0.168 15.192 6.898 1.00 0.73 C ATOM 2347 O THR A 154 -0.333 16.282 6.349 1.00 0.82 O ATOM 2348 CB THR A 154 2.264 15.175 7.486 1.00 0.89 C ATOM 2349 OG1 THR A 154 2.663 13.941 6.870 1.00 1.19 O ATOM 2350 CG2 THR A 154 3.245 15.534 8.592 1.00 1.20 C ATOM 0 H THR A 154 1.044 12.959 8.128 1.00 0.78 H new ATOM 0 HA THR A 154 0.648 15.805 8.776 1.00 0.81 H new ATOM 0 HB THR A 154 2.271 15.980 6.751 1.00 0.89 H new ATOM 0 HG1 THR A 154 3.569 14.034 6.508 1.00 1.19 H new ATOM 0 HG21 THR A 154 4.246 15.631 8.173 1.00 1.20 H new ATOM 0 HG22 THR A 154 2.949 16.479 9.048 1.00 1.20 H new ATOM 0 HG23 THR A 154 3.243 14.750 9.349 1.00 1.20 H new ATOM 2358 N LYS A 155 -0.822 14.079 6.549 1.00 0.65 N ATOM 2359 CA LYS A 155 -1.830 14.040 5.482 1.00 0.67 C ATOM 2360 C LYS A 155 -1.251 14.391 4.109 1.00 0.66 C ATOM 2361 O LYS A 155 -1.999 14.661 3.170 1.00 0.86 O ATOM 2362 CB LYS A 155 -3.016 14.956 5.795 1.00 0.86 C ATOM 2363 CG LYS A 155 -4.007 14.366 6.790 1.00 1.27 C ATOM 2364 CD LYS A 155 -5.249 15.236 6.898 1.00 1.12 C ATOM 2365 CE LYS A 155 -6.338 14.586 7.739 1.00 1.39 C ATOM 2366 NZ LYS A 155 -5.906 14.370 9.145 1.00 2.27 N ATOM 0 H LYS A 155 -0.667 13.177 6.999 1.00 0.65 H new ATOM 0 HA LYS A 155 -2.180 13.009 5.441 1.00 0.67 H new ATOM 0 HB2 LYS A 155 -2.639 15.900 6.189 1.00 0.86 H new ATOM 0 HB3 LYS A 155 -3.540 15.185 4.867 1.00 0.86 H new ATOM 0 HG2 LYS A 155 -4.288 13.361 6.477 1.00 1.27 H new ATOM 0 HG3 LYS A 155 -3.536 14.275 7.769 1.00 1.27 H new ATOM 0 HD2 LYS A 155 -4.980 16.197 7.336 1.00 1.12 H new ATOM 0 HD3 LYS A 155 -5.636 15.438 5.899 1.00 1.12 H new ATOM 0 HE2 LYS A 155 -7.228 15.214 7.727 1.00 1.39 H new ATOM 0 HE3 LYS A 155 -6.616 13.630 7.295 1.00 1.39 H new ATOM 0 HZ1 LYS A 155 -6.695 13.972 9.693 1.00 2.27 H new ATOM 0 HZ2 LYS A 155 -5.103 13.709 9.164 1.00 2.27 H new ATOM 0 HZ3 LYS A 155 -5.617 15.278 9.563 1.00 2.27 H new ATOM 2380 N GLU A 156 0.072 14.358 3.993 1.00 0.62 N ATOM 2381 CA GLU A 156 0.752 14.659 2.731 1.00 0.66 C ATOM 2382 C GLU A 156 0.266 13.738 1.618 1.00 0.59 C ATOM 2383 O GLU A 156 -0.372 14.164 0.651 1.00 0.58 O ATOM 2384 CB GLU A 156 2.264 14.481 2.900 1.00 0.75 C ATOM 2385 CG GLU A 156 2.865 15.336 3.997 1.00 1.13 C ATOM 2386 CD GLU A 156 4.334 15.048 4.216 1.00 1.78 C ATOM 2387 OE1 GLU A 156 5.141 15.290 3.297 1.00 2.03 O ATOM 2388 OE2 GLU A 156 4.689 14.586 5.320 1.00 2.64 O ATOM 0 H GLU A 156 0.701 14.125 4.761 1.00 0.62 H new ATOM 0 HA GLU A 156 0.525 15.690 2.462 1.00 0.66 H new ATOM 0 HB2 GLU A 156 2.475 13.433 3.113 1.00 0.75 H new ATOM 0 HB3 GLU A 156 2.756 14.719 1.957 1.00 0.75 H new ATOM 0 HG2 GLU A 156 2.738 16.389 3.744 1.00 1.13 H new ATOM 0 HG3 GLU A 156 2.322 15.164 4.926 1.00 1.13 H new ATOM 2395 N GLY A 157 0.562 12.462 1.787 1.00 0.62 N ATOM 2396 CA GLY A 157 0.204 11.474 0.805 1.00 0.61 C ATOM 2397 C GLY A 157 -1.292 11.268 0.681 1.00 0.48 C ATOM 2398 O GLY A 157 -1.741 10.617 -0.250 1.00 0.46 O ATOM 0 H GLY A 157 1.052 12.092 2.601 1.00 0.62 H new ATOM 0 HA2 GLY A 157 0.604 11.773 -0.164 1.00 0.61 H new ATOM 0 HA3 GLY A 157 0.674 10.526 1.065 1.00 0.61 H new ATOM 2402 N LEU A 158 -2.062 11.816 1.614 1.00 0.48 N ATOM 2403 CA LEU A 158 -3.518 11.707 1.554 1.00 0.50 C ATOM 2404 C LEU A 158 -4.040 12.435 0.325 1.00 0.46 C ATOM 2405 O LEU A 158 -4.881 11.915 -0.409 1.00 0.51 O ATOM 2406 CB LEU A 158 -4.169 12.275 2.819 1.00 0.62 C ATOM 2407 CG LEU A 158 -4.405 11.271 3.950 1.00 0.83 C ATOM 2408 CD1 LEU A 158 -5.395 10.200 3.517 1.00 1.55 C ATOM 2409 CD2 LEU A 158 -3.096 10.638 4.396 1.00 1.27 C ATOM 0 H LEU A 158 -1.708 12.337 2.416 1.00 0.48 H new ATOM 0 HA LEU A 158 -3.779 10.651 1.487 1.00 0.50 H new ATOM 0 HB2 LEU A 158 -3.541 13.081 3.198 1.00 0.62 H new ATOM 0 HB3 LEU A 158 -5.126 12.718 2.545 1.00 0.62 H new ATOM 0 HG LEU A 158 -4.828 11.810 4.798 1.00 0.83 H new ATOM 0 HD11 LEU A 158 -5.550 9.496 4.334 1.00 1.55 H new ATOM 0 HD12 LEU A 158 -6.345 10.667 3.255 1.00 1.55 H new ATOM 0 HD13 LEU A 158 -5.001 9.669 2.650 1.00 1.55 H new ATOM 0 HD21 LEU A 158 -3.290 9.929 5.200 1.00 1.27 H new ATOM 0 HD22 LEU A 158 -2.639 10.117 3.555 1.00 1.27 H new ATOM 0 HD23 LEU A 158 -2.419 11.414 4.753 1.00 1.27 H new ATOM 2421 N ASP A 159 -3.513 13.630 0.096 1.00 0.48 N ATOM 2422 CA ASP A 159 -3.859 14.403 -1.090 1.00 0.57 C ATOM 2423 C ASP A 159 -3.336 13.707 -2.337 1.00 0.50 C ATOM 2424 O ASP A 159 -4.069 13.499 -3.301 1.00 0.52 O ATOM 2425 CB ASP A 159 -3.278 15.816 -1.001 1.00 0.73 C ATOM 2426 CG ASP A 159 -3.489 16.617 -2.272 1.00 1.54 C ATOM 2427 OD1 ASP A 159 -4.629 17.078 -2.509 1.00 1.58 O ATOM 2428 OD2 ASP A 159 -2.525 16.775 -3.049 1.00 2.50 O ATOM 0 H ASP A 159 -2.844 14.086 0.716 1.00 0.48 H new ATOM 0 HA ASP A 159 -4.945 14.476 -1.149 1.00 0.57 H new ATOM 0 HB2 ASP A 159 -3.738 16.342 -0.164 1.00 0.73 H new ATOM 0 HB3 ASP A 159 -2.211 15.753 -0.789 1.00 0.73 H new ATOM 2433 N HIS A 160 -2.070 13.314 -2.288 1.00 0.47 N ATOM 2434 CA HIS A 160 -1.418 12.680 -3.430 1.00 0.46 C ATOM 2435 C HIS A 160 -2.106 11.362 -3.800 1.00 0.41 C ATOM 2436 O HIS A 160 -2.204 11.013 -4.971 1.00 0.43 O ATOM 2437 CB HIS A 160 0.068 12.441 -3.124 1.00 0.50 C ATOM 2438 CG HIS A 160 0.881 12.033 -4.318 1.00 0.56 C ATOM 2439 ND1 HIS A 160 1.274 12.921 -5.295 1.00 0.67 N ATOM 2440 CD2 HIS A 160 1.394 10.833 -4.676 1.00 0.59 C ATOM 2441 CE1 HIS A 160 1.997 12.285 -6.201 1.00 0.73 C ATOM 2442 NE2 HIS A 160 2.088 11.017 -5.850 1.00 0.67 N ATOM 0 H HIS A 160 -1.472 13.423 -1.469 1.00 0.47 H new ATOM 0 HA HIS A 160 -1.501 13.352 -4.285 1.00 0.46 H new ATOM 0 HB2 HIS A 160 0.492 13.352 -2.703 1.00 0.50 H new ATOM 0 HB3 HIS A 160 0.151 11.668 -2.360 1.00 0.50 H new ATOM 0 HD2 HIS A 160 1.280 9.903 -4.139 1.00 0.59 H new ATOM 0 HE1 HIS A 160 2.439 12.729 -7.081 1.00 0.73 H new ATOM 0 HE2 HIS A 160 2.590 10.293 -6.364 1.00 0.67 H new ATOM 2451 N LEU A 161 -2.591 10.645 -2.797 1.00 0.39 N ATOM 2452 CA LEU A 161 -3.237 9.355 -3.007 1.00 0.39 C ATOM 2453 C LEU A 161 -4.483 9.492 -3.869 1.00 0.39 C ATOM 2454 O LEU A 161 -4.579 8.872 -4.926 1.00 0.42 O ATOM 2455 CB LEU A 161 -3.600 8.716 -1.665 1.00 0.41 C ATOM 2456 CG LEU A 161 -4.300 7.358 -1.748 1.00 0.51 C ATOM 2457 CD1 LEU A 161 -3.394 6.325 -2.398 1.00 0.91 C ATOM 2458 CD2 LEU A 161 -4.728 6.900 -0.364 1.00 0.88 C ATOM 0 H LEU A 161 -2.549 10.937 -1.821 1.00 0.39 H new ATOM 0 HA LEU A 161 -2.530 8.712 -3.531 1.00 0.39 H new ATOM 0 HB2 LEU A 161 -2.688 8.599 -1.080 1.00 0.41 H new ATOM 0 HB3 LEU A 161 -4.244 9.404 -1.118 1.00 0.41 H new ATOM 0 HG LEU A 161 -5.190 7.466 -2.368 1.00 0.51 H new ATOM 0 HD11 LEU A 161 -3.911 5.367 -2.447 1.00 0.91 H new ATOM 0 HD12 LEU A 161 -3.136 6.650 -3.406 1.00 0.91 H new ATOM 0 HD13 LEU A 161 -2.484 6.216 -1.808 1.00 0.91 H new ATOM 0 HD21 LEU A 161 -5.225 5.933 -0.438 1.00 0.88 H new ATOM 0 HD22 LEU A 161 -3.851 6.809 0.277 1.00 0.88 H new ATOM 0 HD23 LEU A 161 -5.416 7.629 0.064 1.00 0.88 H new ATOM 2470 N LEU A 162 -5.429 10.311 -3.426 1.00 0.40 N ATOM 2471 CA LEU A 162 -6.679 10.478 -4.146 1.00 0.44 C ATOM 2472 C LEU A 162 -6.434 11.073 -5.531 1.00 0.45 C ATOM 2473 O LEU A 162 -7.169 10.783 -6.473 1.00 0.48 O ATOM 2474 CB LEU A 162 -7.662 11.327 -3.326 1.00 0.50 C ATOM 2475 CG LEU A 162 -7.154 12.688 -2.835 1.00 0.69 C ATOM 2476 CD1 LEU A 162 -7.331 13.759 -3.902 1.00 1.05 C ATOM 2477 CD2 LEU A 162 -7.877 13.091 -1.558 1.00 1.06 C ATOM 0 H LEU A 162 -5.352 10.867 -2.574 1.00 0.40 H new ATOM 0 HA LEU A 162 -7.131 9.497 -4.292 1.00 0.44 H new ATOM 0 HB2 LEU A 162 -8.553 11.495 -3.931 1.00 0.50 H new ATOM 0 HB3 LEU A 162 -7.971 10.746 -2.457 1.00 0.50 H new ATOM 0 HG LEU A 162 -6.089 12.595 -2.625 1.00 0.69 H new ATOM 0 HD11 LEU A 162 -6.962 14.713 -3.525 1.00 1.05 H new ATOM 0 HD12 LEU A 162 -6.770 13.480 -4.794 1.00 1.05 H new ATOM 0 HD13 LEU A 162 -8.388 13.852 -4.152 1.00 1.05 H new ATOM 0 HD21 LEU A 162 -7.507 14.059 -1.220 1.00 1.06 H new ATOM 0 HD22 LEU A 162 -8.947 13.159 -1.752 1.00 1.06 H new ATOM 0 HD23 LEU A 162 -7.695 12.344 -0.786 1.00 1.06 H new ATOM 2489 N GLU A 163 -5.381 11.877 -5.651 1.00 0.46 N ATOM 2490 CA GLU A 163 -4.991 12.444 -6.937 1.00 0.52 C ATOM 2491 C GLU A 163 -4.585 11.344 -7.910 1.00 0.51 C ATOM 2492 O GLU A 163 -4.935 11.389 -9.088 1.00 0.56 O ATOM 2493 CB GLU A 163 -3.840 13.441 -6.769 1.00 0.62 C ATOM 2494 CG GLU A 163 -4.242 14.747 -6.103 1.00 1.06 C ATOM 2495 CD GLU A 163 -5.213 15.561 -6.935 1.00 1.75 C ATOM 2496 OE1 GLU A 163 -4.807 16.074 -8.000 1.00 1.97 O ATOM 2497 OE2 GLU A 163 -6.377 15.717 -6.517 1.00 2.49 O ATOM 0 H GLU A 163 -4.782 12.150 -4.872 1.00 0.46 H new ATOM 0 HA GLU A 163 -5.854 12.973 -7.343 1.00 0.52 H new ATOM 0 HB2 GLU A 163 -3.051 12.973 -6.180 1.00 0.62 H new ATOM 0 HB3 GLU A 163 -3.418 13.661 -7.750 1.00 0.62 H new ATOM 0 HG2 GLU A 163 -4.694 14.531 -5.135 1.00 1.06 H new ATOM 0 HG3 GLU A 163 -3.348 15.341 -5.912 1.00 1.06 H new ATOM 2504 N MET A 164 -3.850 10.353 -7.417 1.00 0.49 N ATOM 2505 CA MET A 164 -3.424 9.234 -8.254 1.00 0.52 C ATOM 2506 C MET A 164 -4.593 8.309 -8.563 1.00 0.51 C ATOM 2507 O MET A 164 -4.712 7.799 -9.675 1.00 0.57 O ATOM 2508 CB MET A 164 -2.298 8.444 -7.582 1.00 0.53 C ATOM 2509 CG MET A 164 -0.892 8.920 -7.936 1.00 0.68 C ATOM 2510 SD MET A 164 -0.572 10.644 -7.503 1.00 0.87 S ATOM 2511 CE MET A 164 -1.075 11.493 -8.995 1.00 0.67 C ATOM 0 H MET A 164 -3.537 10.300 -6.447 1.00 0.49 H new ATOM 0 HA MET A 164 -3.049 9.648 -9.190 1.00 0.52 H new ATOM 0 HB2 MET A 164 -2.426 8.502 -6.501 1.00 0.53 H new ATOM 0 HB3 MET A 164 -2.393 7.394 -7.859 1.00 0.53 H new ATOM 0 HG2 MET A 164 -0.166 8.287 -7.426 1.00 0.68 H new ATOM 0 HG3 MET A 164 -0.733 8.789 -9.006 1.00 0.68 H new ATOM 0 HE1 MET A 164 -0.295 12.193 -9.296 1.00 0.67 H new ATOM 0 HE2 MET A 164 -1.237 10.766 -9.791 1.00 0.67 H new ATOM 0 HE3 MET A 164 -2.000 12.039 -8.809 1.00 0.67 H new ATOM 2521 N ILE A 165 -5.450 8.105 -7.570 1.00 0.48 N ATOM 2522 CA ILE A 165 -6.628 7.273 -7.720 1.00 0.51 C ATOM 2523 C ILE A 165 -7.491 7.750 -8.892 1.00 0.58 C ATOM 2524 O ILE A 165 -7.817 6.970 -9.788 1.00 0.64 O ATOM 2525 CB ILE A 165 -7.450 7.302 -6.417 1.00 0.50 C ATOM 2526 CG1 ILE A 165 -6.678 6.617 -5.284 1.00 0.48 C ATOM 2527 CG2 ILE A 165 -8.799 6.649 -6.617 1.00 0.59 C ATOM 2528 CD1 ILE A 165 -7.357 6.714 -3.934 1.00 0.50 C ATOM 0 H ILE A 165 -5.344 8.513 -6.641 1.00 0.48 H new ATOM 0 HA ILE A 165 -6.307 6.252 -7.928 1.00 0.51 H new ATOM 0 HB ILE A 165 -7.618 8.343 -6.140 1.00 0.50 H new ATOM 0 HG12 ILE A 165 -6.540 5.566 -5.536 1.00 0.48 H new ATOM 0 HG13 ILE A 165 -5.685 7.061 -5.213 1.00 0.48 H new ATOM 0 HG21 ILE A 165 -9.361 6.682 -5.684 1.00 0.59 H new ATOM 0 HG22 ILE A 165 -9.350 7.183 -7.391 1.00 0.59 H new ATOM 0 HG23 ILE A 165 -8.660 5.611 -6.921 1.00 0.59 H new ATOM 0 HD11 ILE A 165 -6.750 6.206 -3.184 1.00 0.50 H new ATOM 0 HD12 ILE A 165 -7.471 7.762 -3.659 1.00 0.50 H new ATOM 0 HD13 ILE A 165 -8.339 6.243 -3.986 1.00 0.50 H new ATOM 2540 N LEU A 166 -7.836 9.039 -8.898 1.00 0.61 N ATOM 2541 CA LEU A 166 -8.666 9.591 -9.956 1.00 0.72 C ATOM 2542 C LEU A 166 -7.909 9.683 -11.266 1.00 0.72 C ATOM 2543 O LEU A 166 -8.487 9.511 -12.338 1.00 0.81 O ATOM 2544 CB LEU A 166 -9.197 10.970 -9.579 1.00 0.82 C ATOM 2545 CG LEU A 166 -8.171 12.009 -9.110 1.00 0.98 C ATOM 2546 CD1 LEU A 166 -7.538 12.728 -10.293 1.00 1.81 C ATOM 2547 CD2 LEU A 166 -8.829 13.013 -8.181 1.00 1.48 C ATOM 0 H LEU A 166 -7.553 9.711 -8.185 1.00 0.61 H new ATOM 0 HA LEU A 166 -9.507 8.910 -10.085 1.00 0.72 H new ATOM 0 HB2 LEU A 166 -9.721 11.378 -10.443 1.00 0.82 H new ATOM 0 HB3 LEU A 166 -9.936 10.843 -8.788 1.00 0.82 H new ATOM 0 HG LEU A 166 -7.383 11.485 -8.569 1.00 0.98 H new ATOM 0 HD11 LEU A 166 -6.815 13.459 -9.930 1.00 1.81 H new ATOM 0 HD12 LEU A 166 -7.033 12.003 -10.931 1.00 1.81 H new ATOM 0 HD13 LEU A 166 -8.313 13.238 -10.866 1.00 1.81 H new ATOM 0 HD21 LEU A 166 -8.090 13.745 -7.855 1.00 1.48 H new ATOM 0 HD22 LEU A 166 -9.636 13.522 -8.708 1.00 1.48 H new ATOM 0 HD23 LEU A 166 -9.234 12.494 -7.312 1.00 1.48 H new ATOM 2559 N LEU A 167 -6.619 9.982 -11.167 1.00 0.69 N ATOM 2560 CA LEU A 167 -5.757 10.097 -12.339 1.00 0.79 C ATOM 2561 C LEU A 167 -5.878 8.858 -13.201 1.00 0.87 C ATOM 2562 O LEU A 167 -5.806 8.933 -14.421 1.00 1.02 O ATOM 2563 CB LEU A 167 -4.298 10.299 -11.926 1.00 0.84 C ATOM 2564 CG LEU A 167 -3.306 10.465 -13.083 1.00 1.06 C ATOM 2565 CD1 LEU A 167 -3.629 11.713 -13.892 1.00 1.42 C ATOM 2566 CD2 LEU A 167 -1.879 10.521 -12.554 1.00 1.41 C ATOM 0 H LEU A 167 -6.144 10.150 -10.280 1.00 0.69 H new ATOM 0 HA LEU A 167 -6.079 10.967 -12.912 1.00 0.79 H new ATOM 0 HB2 LEU A 167 -4.237 11.181 -11.288 1.00 0.84 H new ATOM 0 HB3 LEU A 167 -3.987 9.446 -11.322 1.00 0.84 H new ATOM 0 HG LEU A 167 -3.396 9.601 -13.742 1.00 1.06 H new ATOM 0 HD11 LEU A 167 -2.914 11.813 -14.708 1.00 1.42 H new ATOM 0 HD12 LEU A 167 -4.636 11.631 -14.300 1.00 1.42 H new ATOM 0 HD13 LEU A 167 -3.569 12.590 -13.248 1.00 1.42 H new ATOM 0 HD21 LEU A 167 -1.186 10.639 -13.387 1.00 1.41 H new ATOM 0 HD22 LEU A 167 -1.776 11.367 -11.874 1.00 1.41 H new ATOM 0 HD23 LEU A 167 -1.652 9.597 -12.021 1.00 1.41 H new ATOM 2578 N VAL A 168 -6.112 7.728 -12.558 1.00 0.83 N ATOM 2579 CA VAL A 168 -6.237 6.475 -13.256 1.00 0.96 C ATOM 2580 C VAL A 168 -7.569 6.407 -13.979 1.00 1.01 C ATOM 2581 O VAL A 168 -7.606 6.169 -15.181 1.00 1.14 O ATOM 2582 CB VAL A 168 -6.086 5.288 -12.293 1.00 1.03 C ATOM 2583 CG1 VAL A 168 -6.625 4.016 -12.910 1.00 1.17 C ATOM 2584 CG2 VAL A 168 -4.629 5.114 -11.925 1.00 1.14 C ATOM 0 H VAL A 168 -6.219 7.660 -11.546 1.00 0.83 H new ATOM 0 HA VAL A 168 -5.435 6.414 -13.991 1.00 0.96 H new ATOM 0 HB VAL A 168 -6.664 5.496 -11.393 1.00 1.03 H new ATOM 0 HG11 VAL A 168 -6.506 3.192 -12.207 1.00 1.17 H new ATOM 0 HG12 VAL A 168 -7.682 4.144 -13.143 1.00 1.17 H new ATOM 0 HG13 VAL A 168 -6.076 3.795 -13.825 1.00 1.17 H new ATOM 0 HG21 VAL A 168 -4.524 4.271 -11.242 1.00 1.14 H new ATOM 0 HG22 VAL A 168 -4.046 4.925 -12.826 1.00 1.14 H new ATOM 0 HG23 VAL A 168 -4.265 6.021 -11.441 1.00 1.14 H new