USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 707 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 37 SER OG : rot 123:sc= 1.35 USER MOD Set 1.2: A 39 SER OG : rot 180:sc= 0.911 USER MOD Single : A 11 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00356) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.878 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot -135:sc= 0.248 USER MOD Single : A 29 LYS NZ :NH3+ 153:sc= -0.0862 (180deg=-0.39) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -161:sc= 0 (180deg=-0.317) USER MOD Single : A 41 TYR OH : rot 30:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 1.16 K(o=1.2,f=-0.021) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 213 THR OG1 : rot 34:sc= 0.452 USER MOD Single : B 214 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 221 TYR OH : rot 180:sc= 0 USER MOD Single : B 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 230 SER OG : rot 180:sc= 0 USER MOD Single : B 235 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 236 THR OG1 : rot 180:sc= 0 USER MOD Single : B 237 SER OG : rot 180:sc= 0 USER MOD Single : B 238 MET CE :methyl -117:sc= -0.291 (180deg=-1.62!) USER MOD Single : B 239 SER OG : rot -100:sc= 0.899 USER MOD Single : B 241 TYR OH : rot 30:sc= 0.0897 USER MOD Single : B 248 ASN : amide:sc= -0.389 K(o=-0.39,f=-3.5!) USER MOD Single : B 249 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-2.1) USER MOD ----------------------------------------------------------------- ATOM 145 N LYS A 11 5.520 13.607 -10.209 1.00 15.44 N ATOM 146 CA LYS A 11 6.433 12.484 -10.487 1.00 12.03 C ATOM 147 C LYS A 11 7.272 12.064 -9.264 1.00 31.42 C ATOM 148 O LYS A 11 8.353 11.492 -9.412 1.00 54.22 O ATOM 149 CB LYS A 11 7.350 12.862 -11.664 1.00 22.33 C ATOM 150 CG LYS A 11 8.127 14.161 -11.453 1.00 21.04 C ATOM 151 CD LYS A 11 8.811 14.627 -12.738 1.00 61.15 C ATOM 152 CE LYS A 11 9.497 15.980 -12.563 1.00 45.31 C ATOM 153 NZ LYS A 11 10.659 15.914 -11.636 1.00 55.13 N ATOM 0 HA LYS A 11 5.821 11.619 -10.743 1.00 12.03 H new ATOM 0 HB2 LYS A 11 8.058 12.051 -11.835 1.00 22.33 H new ATOM 0 HB3 LYS A 11 6.746 12.954 -12.567 1.00 22.33 H new ATOM 0 HG2 LYS A 11 7.448 14.937 -11.100 1.00 21.04 H new ATOM 0 HG3 LYS A 11 8.876 14.014 -10.675 1.00 21.04 H new ATOM 0 HD2 LYS A 11 9.547 13.885 -13.047 1.00 61.15 H new ATOM 0 HD3 LYS A 11 8.073 14.695 -13.537 1.00 61.15 H new ATOM 0 HE2 LYS A 11 9.832 16.342 -13.535 1.00 45.31 H new ATOM 0 HE3 LYS A 11 8.775 16.704 -12.184 1.00 45.31 H new ATOM 0 HZ1 LYS A 11 11.110 16.849 -11.578 1.00 55.13 H new ATOM 0 HZ2 LYS A 11 10.333 15.627 -10.691 1.00 55.13 H new ATOM 0 HZ3 LYS A 11 11.347 15.219 -11.991 1.00 55.13 H new ATOM 167 N ASP A 12 6.775 12.331 -8.058 1.00 35.10 N ATOM 168 CA ASP A 12 7.444 11.859 -6.835 1.00 24.41 C ATOM 169 C ASP A 12 6.912 10.485 -6.387 1.00 35.12 C ATOM 170 O ASP A 12 7.675 9.525 -6.266 1.00 24.20 O ATOM 171 CB ASP A 12 7.296 12.891 -5.710 1.00 40.24 C ATOM 172 CG ASP A 12 5.882 13.429 -5.593 1.00 62.02 C ATOM 173 OD1 ASP A 12 5.553 14.375 -6.324 1.00 13.12 O ATOM 174 OD2 ASP A 12 5.097 12.914 -4.776 1.00 4.30 O ATOM 0 H ASP A 12 5.921 12.865 -7.896 1.00 35.10 H new ATOM 0 HA ASP A 12 8.503 11.739 -7.063 1.00 24.41 H new ATOM 0 HB2 ASP A 12 7.587 12.435 -4.764 1.00 40.24 H new ATOM 0 HB3 ASP A 12 7.982 13.719 -5.889 1.00 40.24 H new ATOM 179 N THR A 13 5.607 10.397 -6.136 1.00 51.42 N ATOM 180 CA THR A 13 4.981 9.137 -5.719 1.00 53.24 C ATOM 181 C THR A 13 5.071 8.058 -6.812 1.00 64.23 C ATOM 182 O THR A 13 4.320 8.076 -7.788 1.00 52.12 O ATOM 183 CB THR A 13 3.494 9.338 -5.339 1.00 43.25 C ATOM 184 OG1 THR A 13 2.779 9.935 -6.436 1.00 41.31 O ATOM 185 CG2 THR A 13 3.352 10.213 -4.097 1.00 62.24 C ATOM 0 H THR A 13 4.960 11.182 -6.213 1.00 51.42 H new ATOM 0 HA THR A 13 5.537 8.801 -4.843 1.00 53.24 H new ATOM 0 HB THR A 13 3.071 8.358 -5.118 1.00 43.25 H new ATOM 0 HG1 THR A 13 1.839 10.056 -6.186 1.00 41.31 H new ATOM 0 HG21 THR A 13 2.296 10.335 -3.857 1.00 62.24 H new ATOM 0 HG22 THR A 13 3.863 9.740 -3.258 1.00 62.24 H new ATOM 0 HG23 THR A 13 3.796 11.190 -4.288 1.00 62.24 H new ATOM 193 N LYS A 14 5.999 7.123 -6.634 1.00 42.54 N ATOM 194 CA LYS A 14 6.216 6.033 -7.590 1.00 42.00 C ATOM 195 C LYS A 14 5.107 4.965 -7.498 1.00 45.12 C ATOM 196 O LYS A 14 4.713 4.561 -6.401 1.00 30.13 O ATOM 197 CB LYS A 14 7.583 5.386 -7.328 1.00 73.03 C ATOM 198 CG LYS A 14 8.759 6.358 -7.409 1.00 31.13 C ATOM 199 CD LYS A 14 8.967 6.899 -8.823 1.00 44.55 C ATOM 200 CE LYS A 14 9.269 5.779 -9.813 1.00 12.40 C ATOM 201 NZ LYS A 14 9.622 6.295 -11.164 1.00 22.04 N ATOM 0 H LYS A 14 6.622 7.096 -5.827 1.00 42.54 H new ATOM 0 HA LYS A 14 6.189 6.455 -8.595 1.00 42.00 H new ATOM 0 HB2 LYS A 14 7.572 4.927 -6.339 1.00 73.03 H new ATOM 0 HB3 LYS A 14 7.738 4.584 -8.050 1.00 73.03 H new ATOM 0 HG2 LYS A 14 8.588 7.190 -6.726 1.00 31.13 H new ATOM 0 HG3 LYS A 14 9.667 5.855 -7.078 1.00 31.13 H new ATOM 0 HD2 LYS A 14 8.074 7.437 -9.142 1.00 44.55 H new ATOM 0 HD3 LYS A 14 9.788 7.616 -8.822 1.00 44.55 H new ATOM 0 HE2 LYS A 14 10.091 5.173 -9.432 1.00 12.40 H new ATOM 0 HE3 LYS A 14 8.401 5.124 -9.893 1.00 12.40 H new ATOM 0 HZ1 LYS A 14 9.818 5.496 -11.800 1.00 22.04 H new ATOM 0 HZ2 LYS A 14 8.828 6.851 -11.541 1.00 22.04 H new ATOM 0 HZ3 LYS A 14 10.466 6.899 -11.095 1.00 22.04 H new ATOM 215 N PRO A 15 4.588 4.495 -8.653 1.00 12.11 N ATOM 216 CA PRO A 15 3.528 3.469 -8.697 1.00 20.43 C ATOM 217 C PRO A 15 4.008 2.068 -8.264 1.00 34.02 C ATOM 218 O PRO A 15 5.143 1.665 -8.535 1.00 11.14 O ATOM 219 CB PRO A 15 3.092 3.454 -10.177 1.00 24.34 C ATOM 220 CG PRO A 15 3.713 4.668 -10.790 1.00 20.23 C ATOM 221 CD PRO A 15 4.966 4.931 -10.004 1.00 14.01 C ATOM 0 HA PRO A 15 2.725 3.708 -8.000 1.00 20.43 H new ATOM 0 HB2 PRO A 15 3.430 2.546 -10.676 1.00 24.34 H new ATOM 0 HB3 PRO A 15 2.006 3.481 -10.266 1.00 24.34 H new ATOM 0 HG2 PRO A 15 3.940 4.501 -11.843 1.00 20.23 H new ATOM 0 HG3 PRO A 15 3.035 5.520 -10.741 1.00 20.23 H new ATOM 0 HD2 PRO A 15 5.814 4.366 -10.391 1.00 14.01 H new ATOM 0 HD3 PRO A 15 5.247 5.984 -10.027 1.00 14.01 H new ATOM 229 N VAL A 16 3.122 1.338 -7.592 1.00 54.44 N ATOM 230 CA VAL A 16 3.396 -0.029 -7.139 1.00 40.41 C ATOM 231 C VAL A 16 2.083 -0.818 -6.970 1.00 15.20 C ATOM 232 O VAL A 16 1.180 -0.400 -6.245 1.00 71.23 O ATOM 233 CB VAL A 16 4.202 -0.036 -5.807 1.00 63.14 C ATOM 234 CG1 VAL A 16 3.484 0.761 -4.715 1.00 23.25 C ATOM 235 CG2 VAL A 16 4.480 -1.466 -5.340 1.00 30.45 C ATOM 0 H VAL A 16 2.192 1.675 -7.344 1.00 54.44 H new ATOM 0 HA VAL A 16 4.003 -0.514 -7.903 1.00 40.41 H new ATOM 0 HB VAL A 16 5.158 0.450 -6.001 1.00 63.14 H new ATOM 0 HG11 VAL A 16 4.074 0.736 -3.799 1.00 23.25 H new ATOM 0 HG12 VAL A 16 3.362 1.794 -5.039 1.00 23.25 H new ATOM 0 HG13 VAL A 16 2.504 0.321 -4.528 1.00 23.25 H new ATOM 0 HG21 VAL A 16 5.044 -1.441 -4.408 1.00 30.45 H new ATOM 0 HG22 VAL A 16 3.536 -1.986 -5.179 1.00 30.45 H new ATOM 0 HG23 VAL A 16 5.058 -1.991 -6.100 1.00 30.45 H new ATOM 245 N VAL A 17 1.970 -1.948 -7.663 1.00 62.13 N ATOM 246 CA VAL A 17 0.748 -2.760 -7.616 1.00 43.44 C ATOM 247 C VAL A 17 0.743 -3.747 -6.432 1.00 70.04 C ATOM 248 O VAL A 17 1.619 -4.608 -6.307 1.00 43.23 O ATOM 249 CB VAL A 17 0.531 -3.531 -8.949 1.00 12.14 C ATOM 250 CG1 VAL A 17 1.736 -4.412 -9.284 1.00 11.14 C ATOM 251 CG2 VAL A 17 -0.758 -4.355 -8.899 1.00 24.41 C ATOM 0 H VAL A 17 2.704 -2.325 -8.263 1.00 62.13 H new ATOM 0 HA VAL A 17 -0.077 -2.063 -7.471 1.00 43.44 H new ATOM 0 HB VAL A 17 0.430 -2.795 -9.747 1.00 12.14 H new ATOM 0 HG11 VAL A 17 1.553 -4.938 -10.221 1.00 11.14 H new ATOM 0 HG12 VAL A 17 2.625 -3.790 -9.385 1.00 11.14 H new ATOM 0 HG13 VAL A 17 1.890 -5.138 -8.485 1.00 11.14 H new ATOM 0 HG21 VAL A 17 -0.888 -4.885 -9.843 1.00 24.41 H new ATOM 0 HG22 VAL A 17 -0.698 -5.076 -8.083 1.00 24.41 H new ATOM 0 HG23 VAL A 17 -1.608 -3.692 -8.735 1.00 24.41 H new ATOM 261 N VAL A 18 -0.248 -3.600 -5.556 1.00 30.21 N ATOM 262 CA VAL A 18 -0.444 -4.509 -4.416 1.00 4.35 C ATOM 263 C VAL A 18 -1.836 -5.154 -4.491 1.00 52.42 C ATOM 264 O VAL A 18 -2.800 -4.508 -4.892 1.00 35.30 O ATOM 265 CB VAL A 18 -0.294 -3.762 -3.064 1.00 64.54 C ATOM 266 CG1 VAL A 18 -0.419 -4.727 -1.882 1.00 62.24 C ATOM 267 CG2 VAL A 18 1.036 -3.009 -3.014 1.00 34.11 C ATOM 0 H VAL A 18 -0.939 -2.852 -5.611 1.00 30.21 H new ATOM 0 HA VAL A 18 0.324 -5.280 -4.470 1.00 4.35 H new ATOM 0 HB VAL A 18 -1.104 -3.037 -2.986 1.00 64.54 H new ATOM 0 HG11 VAL A 18 -0.310 -4.175 -0.948 1.00 62.24 H new ATOM 0 HG12 VAL A 18 -1.397 -5.208 -1.907 1.00 62.24 H new ATOM 0 HG13 VAL A 18 0.360 -5.486 -1.948 1.00 62.24 H new ATOM 0 HG21 VAL A 18 1.125 -2.491 -2.059 1.00 34.11 H new ATOM 0 HG22 VAL A 18 1.859 -3.716 -3.121 1.00 34.11 H new ATOM 0 HG23 VAL A 18 1.074 -2.283 -3.826 1.00 34.11 H new ATOM 277 N ARG A 19 -1.948 -6.425 -4.109 1.00 33.33 N ATOM 278 CA ARG A 19 -3.222 -7.151 -4.236 1.00 51.14 C ATOM 279 C ARG A 19 -3.945 -7.337 -2.890 1.00 53.34 C ATOM 280 O ARG A 19 -3.318 -7.583 -1.859 1.00 65.11 O ATOM 281 CB ARG A 19 -2.999 -8.512 -4.909 1.00 14.31 C ATOM 282 CG ARG A 19 -2.569 -8.406 -6.369 1.00 24.32 C ATOM 283 CD ARG A 19 -2.569 -9.764 -7.061 1.00 11.11 C ATOM 284 NE ARG A 19 -2.332 -9.649 -8.500 1.00 30.22 N ATOM 285 CZ ARG A 19 -3.158 -10.076 -9.417 1.00 50.34 C ATOM 286 NH1 ARG A 19 -4.297 -10.596 -9.089 1.00 53.35 N ATOM 287 NH2 ARG A 19 -2.849 -9.964 -10.668 1.00 70.51 N ATOM 0 H ARG A 19 -1.185 -6.973 -3.713 1.00 33.33 H new ATOM 0 HA ARG A 19 -3.869 -6.536 -4.861 1.00 51.14 H new ATOM 0 HB2 ARG A 19 -2.240 -9.063 -4.354 1.00 14.31 H new ATOM 0 HB3 ARG A 19 -3.920 -9.092 -4.851 1.00 14.31 H new ATOM 0 HG2 ARG A 19 -3.241 -7.729 -6.897 1.00 24.32 H new ATOM 0 HG3 ARG A 19 -1.571 -7.971 -6.423 1.00 24.32 H new ATOM 0 HD2 ARG A 19 -1.800 -10.397 -6.617 1.00 11.11 H new ATOM 0 HD3 ARG A 19 -3.526 -10.257 -6.890 1.00 11.11 H new ATOM 0 HE ARG A 19 -1.466 -9.207 -8.807 1.00 30.22 H new ATOM 0 HH11 ARG A 19 -4.557 -10.676 -8.106 1.00 53.35 H new ATOM 0 HH12 ARG A 19 -4.934 -10.926 -9.814 1.00 53.35 H new ATOM 0 HH21 ARG A 19 -1.960 -9.542 -10.938 1.00 70.51 H new ATOM 0 HH22 ARG A 19 -3.494 -10.297 -11.384 1.00 70.51 H new ATOM 301 N LEU A 20 -5.275 -7.235 -2.931 1.00 70.41 N ATOM 302 CA LEU A 20 -6.123 -7.384 -1.738 1.00 51.52 C ATOM 303 C LEU A 20 -7.411 -8.167 -2.080 1.00 43.03 C ATOM 304 O LEU A 20 -7.810 -8.241 -3.244 1.00 11.41 O ATOM 305 CB LEU A 20 -6.470 -5.994 -1.175 1.00 61.44 C ATOM 306 CG LEU A 20 -7.206 -5.978 0.178 1.00 23.33 C ATOM 307 CD1 LEU A 20 -6.340 -6.600 1.273 1.00 50.32 C ATOM 308 CD2 LEU A 20 -7.609 -4.549 0.550 1.00 1.41 C ATOM 0 H LEU A 20 -5.797 -7.048 -3.787 1.00 70.41 H new ATOM 0 HA LEU A 20 -5.576 -7.948 -0.983 1.00 51.52 H new ATOM 0 HB2 LEU A 20 -5.546 -5.425 -1.070 1.00 61.44 H new ATOM 0 HB3 LEU A 20 -7.085 -5.471 -1.907 1.00 61.44 H new ATOM 0 HG LEU A 20 -8.112 -6.577 0.084 1.00 23.33 H new ATOM 0 HD11 LEU A 20 -6.879 -6.578 2.220 1.00 50.32 H new ATOM 0 HD12 LEU A 20 -6.108 -7.632 1.011 1.00 50.32 H new ATOM 0 HD13 LEU A 20 -5.414 -6.034 1.370 1.00 50.32 H new ATOM 0 HD21 LEU A 20 -8.128 -4.555 1.509 1.00 1.41 H new ATOM 0 HD22 LEU A 20 -6.717 -3.927 0.624 1.00 1.41 H new ATOM 0 HD23 LEU A 20 -8.270 -4.146 -0.218 1.00 1.41 H new ATOM 320 N TYR A 21 -8.055 -8.753 -1.072 1.00 64.30 N ATOM 321 CA TYR A 21 -9.258 -9.577 -1.287 1.00 53.45 C ATOM 322 C TYR A 21 -10.504 -8.736 -1.625 1.00 44.11 C ATOM 323 O TYR A 21 -10.692 -7.639 -1.093 1.00 72.45 O ATOM 324 CB TYR A 21 -9.526 -10.446 -0.052 1.00 74.41 C ATOM 325 CG TYR A 21 -8.615 -11.654 0.034 1.00 73.20 C ATOM 326 CD1 TYR A 21 -7.304 -11.542 0.490 1.00 65.25 C ATOM 327 CD2 TYR A 21 -9.066 -12.904 -0.364 1.00 72.14 C ATOM 328 CE1 TYR A 21 -6.475 -12.646 0.544 1.00 23.34 C ATOM 329 CE2 TYR A 21 -8.247 -14.009 -0.307 1.00 3.02 C ATOM 330 CZ TYR A 21 -6.953 -13.877 0.143 1.00 0.54 C ATOM 331 OH TYR A 21 -6.134 -14.982 0.181 1.00 52.13 O ATOM 0 H TYR A 21 -7.769 -8.676 -0.096 1.00 64.30 H new ATOM 0 HA TYR A 21 -9.061 -10.212 -2.151 1.00 53.45 H new ATOM 0 HB2 TYR A 21 -9.401 -9.840 0.845 1.00 74.41 H new ATOM 0 HB3 TYR A 21 -10.563 -10.781 -0.069 1.00 74.41 H new ATOM 0 HD1 TYR A 21 -6.930 -10.579 0.806 1.00 65.25 H new ATOM 0 HD2 TYR A 21 -10.078 -13.012 -0.725 1.00 72.14 H new ATOM 0 HE1 TYR A 21 -5.459 -12.546 0.898 1.00 23.34 H new ATOM 0 HE2 TYR A 21 -8.618 -14.976 -0.614 1.00 3.02 H new ATOM 0 HH TYR A 21 -6.238 -15.495 -0.648 1.00 52.13 H new ATOM 341 N PRO A 22 -11.386 -9.259 -2.514 1.00 70.21 N ATOM 342 CA PRO A 22 -12.618 -8.561 -2.942 1.00 22.52 C ATOM 343 C PRO A 22 -13.475 -8.070 -1.764 1.00 72.44 C ATOM 344 O PRO A 22 -13.930 -6.926 -1.753 1.00 25.10 O ATOM 345 CB PRO A 22 -13.371 -9.632 -3.749 1.00 63.50 C ATOM 346 CG PRO A 22 -12.302 -10.539 -4.256 1.00 35.21 C ATOM 347 CD PRO A 22 -11.248 -10.574 -3.179 1.00 64.34 C ATOM 0 HA PRO A 22 -12.390 -7.657 -3.507 1.00 22.52 H new ATOM 0 HB2 PRO A 22 -14.085 -10.170 -3.125 1.00 63.50 H new ATOM 0 HB3 PRO A 22 -13.936 -9.187 -4.568 1.00 63.50 H new ATOM 0 HG2 PRO A 22 -12.696 -11.537 -4.451 1.00 35.21 H new ATOM 0 HG3 PRO A 22 -11.889 -10.170 -5.195 1.00 35.21 H new ATOM 0 HD2 PRO A 22 -11.414 -11.395 -2.482 1.00 64.34 H new ATOM 0 HD3 PRO A 22 -10.251 -10.709 -3.598 1.00 64.34 H new ATOM 355 N ASP A 23 -13.681 -8.940 -0.776 1.00 35.10 N ATOM 356 CA ASP A 23 -14.440 -8.596 0.435 1.00 33.03 C ATOM 357 C ASP A 23 -13.878 -7.339 1.121 1.00 35.32 C ATOM 358 O ASP A 23 -14.626 -6.446 1.526 1.00 54.14 O ATOM 359 CB ASP A 23 -14.414 -9.777 1.410 1.00 5.53 C ATOM 360 CG ASP A 23 -15.073 -11.014 0.833 1.00 2.23 C ATOM 361 OD1 ASP A 23 -14.567 -11.548 -0.176 1.00 72.00 O ATOM 362 OD2 ASP A 23 -16.104 -11.458 1.382 1.00 74.51 O ATOM 0 H ASP A 23 -13.331 -9.898 -0.788 1.00 35.10 H new ATOM 0 HA ASP A 23 -15.467 -8.381 0.139 1.00 33.03 H new ATOM 0 HB2 ASP A 23 -13.381 -10.007 1.671 1.00 5.53 H new ATOM 0 HB3 ASP A 23 -14.921 -9.495 2.333 1.00 5.53 H new ATOM 367 N GLU A 24 -12.555 -7.275 1.235 1.00 63.43 N ATOM 368 CA GLU A 24 -11.881 -6.140 1.869 1.00 54.11 C ATOM 369 C GLU A 24 -11.924 -4.891 0.976 1.00 74.01 C ATOM 370 O GLU A 24 -12.090 -3.775 1.466 1.00 41.34 O ATOM 371 CB GLU A 24 -10.435 -6.519 2.204 1.00 11.15 C ATOM 372 CG GLU A 24 -10.337 -7.655 3.217 1.00 14.40 C ATOM 373 CD GLU A 24 -8.913 -8.126 3.449 1.00 12.45 C ATOM 374 OE1 GLU A 24 -8.163 -7.427 4.159 1.00 42.11 O ATOM 375 OE2 GLU A 24 -8.551 -9.207 2.931 1.00 65.22 O ATOM 0 H GLU A 24 -11.922 -7.999 0.895 1.00 63.43 H new ATOM 0 HA GLU A 24 -12.409 -5.897 2.791 1.00 54.11 H new ATOM 0 HB2 GLU A 24 -9.920 -6.810 1.289 1.00 11.15 H new ATOM 0 HB3 GLU A 24 -9.917 -5.644 2.596 1.00 11.15 H new ATOM 0 HG2 GLU A 24 -10.763 -7.326 4.165 1.00 14.40 H new ATOM 0 HG3 GLU A 24 -10.939 -8.495 2.871 1.00 14.40 H new ATOM 382 N ILE A 25 -11.784 -5.083 -0.335 1.00 72.23 N ATOM 383 CA ILE A 25 -11.913 -3.977 -1.294 1.00 61.51 C ATOM 384 C ILE A 25 -13.356 -3.442 -1.323 1.00 35.52 C ATOM 385 O ILE A 25 -13.591 -2.256 -1.563 1.00 61.43 O ATOM 386 CB ILE A 25 -11.475 -4.406 -2.718 1.00 41.13 C ATOM 387 CG1 ILE A 25 -10.002 -4.846 -2.703 1.00 13.03 C ATOM 388 CG2 ILE A 25 -11.688 -3.272 -3.725 1.00 22.51 C ATOM 389 CD1 ILE A 25 -9.471 -5.257 -4.058 1.00 50.20 C ATOM 0 H ILE A 25 -11.582 -5.988 -0.760 1.00 72.23 H new ATOM 0 HA ILE A 25 -11.249 -3.179 -0.961 1.00 61.51 H new ATOM 0 HB ILE A 25 -12.093 -5.248 -3.030 1.00 41.13 H new ATOM 0 HG12 ILE A 25 -9.393 -4.028 -2.318 1.00 13.03 H new ATOM 0 HG13 ILE A 25 -9.889 -5.681 -2.011 1.00 13.03 H new ATOM 0 HG21 ILE A 25 -11.372 -3.601 -4.715 1.00 22.51 H new ATOM 0 HG22 ILE A 25 -12.744 -3.003 -3.752 1.00 22.51 H new ATOM 0 HG23 ILE A 25 -11.100 -2.405 -3.426 1.00 22.51 H new ATOM 0 HD11 ILE A 25 -8.426 -5.554 -3.965 1.00 50.20 H new ATOM 0 HD12 ILE A 25 -10.054 -6.096 -4.438 1.00 50.20 H new ATOM 0 HD13 ILE A 25 -9.549 -4.418 -4.749 1.00 50.20 H new ATOM 401 N GLU A 26 -14.313 -4.326 -1.060 1.00 51.12 N ATOM 402 CA GLU A 26 -15.721 -3.942 -0.918 1.00 61.31 C ATOM 403 C GLU A 26 -15.891 -2.953 0.247 1.00 73.42 C ATOM 404 O GLU A 26 -16.502 -1.892 0.099 1.00 30.03 O ATOM 405 CB GLU A 26 -16.575 -5.202 -0.696 1.00 41.53 C ATOM 406 CG GLU A 26 -18.054 -4.938 -0.422 1.00 33.02 C ATOM 407 CD GLU A 26 -18.749 -4.170 -1.536 1.00 42.21 C ATOM 408 OE1 GLU A 26 -18.709 -4.627 -2.697 1.00 11.14 O ATOM 409 OE2 GLU A 26 -19.332 -3.100 -1.259 1.00 1.31 O ATOM 0 H GLU A 26 -14.140 -5.324 -0.939 1.00 51.12 H new ATOM 0 HA GLU A 26 -16.054 -3.446 -1.830 1.00 61.31 H new ATOM 0 HB2 GLU A 26 -16.492 -5.839 -1.577 1.00 41.53 H new ATOM 0 HB3 GLU A 26 -16.160 -5.761 0.142 1.00 41.53 H new ATOM 0 HG2 GLU A 26 -18.564 -5.890 -0.275 1.00 33.02 H new ATOM 0 HG3 GLU A 26 -18.149 -4.378 0.509 1.00 33.02 H new ATOM 416 N ALA A 27 -15.323 -3.309 1.399 1.00 41.52 N ATOM 417 CA ALA A 27 -15.305 -2.417 2.564 1.00 70.34 C ATOM 418 C ALA A 27 -14.407 -1.193 2.311 1.00 0.11 C ATOM 419 O ALA A 27 -14.666 -0.101 2.818 1.00 52.25 O ATOM 420 CB ALA A 27 -14.832 -3.179 3.800 1.00 15.25 C ATOM 0 H ALA A 27 -14.868 -4.209 1.553 1.00 41.52 H new ATOM 0 HA ALA A 27 -16.320 -2.058 2.736 1.00 70.34 H new ATOM 0 HB1 ALA A 27 -14.822 -2.508 4.659 1.00 15.25 H new ATOM 0 HB2 ALA A 27 -15.509 -4.010 3.996 1.00 15.25 H new ATOM 0 HB3 ALA A 27 -13.827 -3.563 3.628 1.00 15.25 H new ATOM 426 N LEU A 28 -13.358 -1.389 1.512 1.00 72.51 N ATOM 427 CA LEU A 28 -12.432 -0.313 1.145 1.00 23.15 C ATOM 428 C LEU A 28 -13.170 0.827 0.426 1.00 11.20 C ATOM 429 O LEU A 28 -13.273 1.937 0.948 1.00 23.23 O ATOM 430 CB LEU A 28 -11.316 -0.865 0.247 1.00 53.11 C ATOM 431 CG LEU A 28 -10.223 0.138 -0.158 1.00 55.21 C ATOM 432 CD1 LEU A 28 -9.436 0.600 1.063 1.00 61.41 C ATOM 433 CD2 LEU A 28 -9.294 -0.471 -1.208 1.00 13.50 C ATOM 0 H LEU A 28 -13.125 -2.293 1.102 1.00 72.51 H new ATOM 0 HA LEU A 28 -11.994 0.087 2.059 1.00 23.15 H new ATOM 0 HB2 LEU A 28 -10.842 -1.701 0.761 1.00 53.11 H new ATOM 0 HB3 LEU A 28 -11.770 -1.264 -0.660 1.00 53.11 H new ATOM 0 HG LEU A 28 -10.705 1.011 -0.599 1.00 55.21 H new ATOM 0 HD11 LEU A 28 -8.668 1.309 0.754 1.00 61.41 H new ATOM 0 HD12 LEU A 28 -10.111 1.082 1.770 1.00 61.41 H new ATOM 0 HD13 LEU A 28 -8.965 -0.260 1.539 1.00 61.41 H new ATOM 0 HD21 LEU A 28 -8.528 0.255 -1.481 1.00 13.50 H new ATOM 0 HD22 LEU A 28 -8.819 -1.363 -0.800 1.00 13.50 H new ATOM 0 HD23 LEU A 28 -9.871 -0.739 -2.093 1.00 13.50 H new ATOM 445 N LYS A 29 -13.718 0.533 -0.758 1.00 74.04 N ATOM 446 CA LYS A 29 -14.447 1.541 -1.548 1.00 23.14 C ATOM 447 C LYS A 29 -15.663 2.098 -0.784 1.00 43.00 C ATOM 448 O LYS A 29 -16.266 3.092 -1.190 1.00 20.51 O ATOM 449 CB LYS A 29 -14.883 0.964 -2.905 1.00 13.03 C ATOM 450 CG LYS A 29 -15.792 -0.264 -2.820 1.00 3.41 C ATOM 451 CD LYS A 29 -16.139 -0.796 -4.212 1.00 44.50 C ATOM 452 CE LYS A 29 -16.970 -2.076 -4.160 1.00 22.54 C ATOM 453 NZ LYS A 29 -18.306 -1.861 -3.545 1.00 52.53 N ATOM 0 H LYS A 29 -13.673 -0.389 -1.192 1.00 74.04 H new ATOM 0 HA LYS A 29 -13.761 2.369 -1.726 1.00 23.14 H new ATOM 0 HB2 LYS A 29 -15.400 1.743 -3.465 1.00 13.03 H new ATOM 0 HB3 LYS A 29 -13.992 0.700 -3.474 1.00 13.03 H new ATOM 0 HG2 LYS A 29 -15.298 -1.045 -2.242 1.00 3.41 H new ATOM 0 HG3 LYS A 29 -16.708 -0.005 -2.289 1.00 3.41 H new ATOM 0 HD2 LYS A 29 -16.689 -0.032 -4.762 1.00 44.50 H new ATOM 0 HD3 LYS A 29 -15.219 -0.987 -4.764 1.00 44.50 H new ATOM 0 HE2 LYS A 29 -17.097 -2.465 -5.170 1.00 22.54 H new ATOM 0 HE3 LYS A 29 -16.430 -2.834 -3.592 1.00 22.54 H new ATOM 0 HZ1 LYS A 29 -18.977 -2.562 -3.919 1.00 52.53 H new ATOM 0 HZ2 LYS A 29 -18.234 -1.967 -2.513 1.00 52.53 H new ATOM 0 HZ3 LYS A 29 -18.643 -0.903 -3.772 1.00 52.53 H new ATOM 467 N SER A 30 -16.013 1.452 0.325 1.00 45.03 N ATOM 468 CA SER A 30 -17.072 1.940 1.213 1.00 72.31 C ATOM 469 C SER A 30 -16.538 2.985 2.210 1.00 14.32 C ATOM 470 O SER A 30 -17.139 4.045 2.395 1.00 25.42 O ATOM 471 CB SER A 30 -17.699 0.766 1.979 1.00 12.13 C ATOM 472 OG SER A 30 -18.670 1.211 2.917 1.00 24.12 O ATOM 0 H SER A 30 -15.577 0.583 0.634 1.00 45.03 H new ATOM 0 HA SER A 30 -17.830 2.420 0.594 1.00 72.31 H new ATOM 0 HB2 SER A 30 -18.163 0.077 1.273 1.00 12.13 H new ATOM 0 HB3 SER A 30 -16.918 0.211 2.499 1.00 12.13 H new ATOM 0 HG SER A 30 -19.050 0.439 3.386 1.00 24.12 H new ATOM 478 N ARG A 31 -15.393 2.696 2.839 1.00 74.43 N ATOM 479 CA ARG A 31 -14.855 3.561 3.905 1.00 23.31 C ATOM 480 C ARG A 31 -13.904 4.655 3.380 1.00 45.01 C ATOM 481 O ARG A 31 -13.456 5.508 4.149 1.00 31.52 O ATOM 482 CB ARG A 31 -14.150 2.712 4.979 1.00 60.52 C ATOM 483 CG ARG A 31 -12.933 1.930 4.483 1.00 25.43 C ATOM 484 CD ARG A 31 -12.440 0.917 5.520 1.00 64.45 C ATOM 485 NE ARG A 31 -11.890 1.547 6.726 1.00 1.12 N ATOM 486 CZ ARG A 31 -12.524 1.643 7.868 1.00 4.32 C ATOM 487 NH1 ARG A 31 -13.752 1.249 7.978 1.00 3.13 N ATOM 488 NH2 ARG A 31 -11.917 2.127 8.902 1.00 21.30 N ATOM 0 H ARG A 31 -14.822 1.877 2.633 1.00 74.43 H new ATOM 0 HA ARG A 31 -15.709 4.076 4.345 1.00 23.31 H new ATOM 0 HB2 ARG A 31 -13.836 3.367 5.792 1.00 60.52 H new ATOM 0 HB3 ARG A 31 -14.870 2.009 5.397 1.00 60.52 H new ATOM 0 HG2 ARG A 31 -13.188 1.409 3.560 1.00 25.43 H new ATOM 0 HG3 ARG A 31 -12.128 2.625 4.244 1.00 25.43 H new ATOM 0 HD2 ARG A 31 -13.266 0.265 5.803 1.00 64.45 H new ATOM 0 HD3 ARG A 31 -11.676 0.285 5.067 1.00 64.45 H new ATOM 0 HE ARG A 31 -10.949 1.937 6.671 1.00 1.12 H new ATOM 0 HH11 ARG A 31 -14.237 0.859 7.170 1.00 3.13 H new ATOM 0 HH12 ARG A 31 -14.235 1.329 8.873 1.00 3.13 H new ATOM 0 HH21 ARG A 31 -10.947 2.433 8.827 1.00 21.30 H new ATOM 0 HH22 ARG A 31 -12.408 2.203 9.793 1.00 21.30 H new ATOM 502 N VAL A 32 -13.590 4.633 2.083 1.00 43.31 N ATOM 503 CA VAL A 32 -12.737 5.674 1.482 1.00 22.13 C ATOM 504 C VAL A 32 -13.497 7.003 1.300 1.00 32.13 C ATOM 505 O VAL A 32 -14.647 7.020 0.848 1.00 53.01 O ATOM 506 CB VAL A 32 -12.148 5.238 0.112 1.00 24.14 C ATOM 507 CG1 VAL A 32 -11.190 4.061 0.278 1.00 64.12 C ATOM 508 CG2 VAL A 32 -13.260 4.902 -0.880 1.00 42.31 C ATOM 0 H VAL A 32 -13.907 3.916 1.430 1.00 43.31 H new ATOM 0 HA VAL A 32 -11.916 5.822 2.184 1.00 22.13 H new ATOM 0 HB VAL A 32 -11.581 6.077 -0.291 1.00 24.14 H new ATOM 0 HG11 VAL A 32 -10.792 3.776 -0.696 1.00 64.12 H new ATOM 0 HG12 VAL A 32 -10.370 4.350 0.935 1.00 64.12 H new ATOM 0 HG13 VAL A 32 -11.724 3.216 0.713 1.00 64.12 H new ATOM 0 HG21 VAL A 32 -12.821 4.600 -1.831 1.00 42.31 H new ATOM 0 HG22 VAL A 32 -13.866 4.087 -0.485 1.00 42.31 H new ATOM 0 HG23 VAL A 32 -13.888 5.779 -1.033 1.00 42.31 H new ATOM 518 N PRO A 33 -12.867 8.140 1.663 1.00 25.50 N ATOM 519 CA PRO A 33 -13.461 9.475 1.471 1.00 21.43 C ATOM 520 C PRO A 33 -13.531 9.880 -0.013 1.00 11.41 C ATOM 521 O PRO A 33 -12.626 9.579 -0.790 1.00 3.11 O ATOM 522 CB PRO A 33 -12.508 10.416 2.243 1.00 71.24 C ATOM 523 CG PRO A 33 -11.644 9.517 3.071 1.00 23.31 C ATOM 524 CD PRO A 33 -11.547 8.225 2.308 1.00 5.31 C ATOM 0 HA PRO A 33 -14.491 9.511 1.824 1.00 21.43 H new ATOM 0 HB2 PRO A 33 -11.908 11.015 1.558 1.00 71.24 H new ATOM 0 HB3 PRO A 33 -13.066 11.111 2.870 1.00 71.24 H new ATOM 0 HG2 PRO A 33 -10.658 9.955 3.225 1.00 23.31 H new ATOM 0 HG3 PRO A 33 -12.079 9.357 4.058 1.00 23.31 H new ATOM 0 HD2 PRO A 33 -10.738 8.244 1.577 1.00 5.31 H new ATOM 0 HD3 PRO A 33 -11.361 7.377 2.967 1.00 5.31 H new ATOM 532 N ALA A 34 -14.605 10.575 -0.398 1.00 33.12 N ATOM 533 CA ALA A 34 -14.795 11.019 -1.791 1.00 35.41 C ATOM 534 C ALA A 34 -13.618 11.872 -2.298 1.00 22.21 C ATOM 535 O ALA A 34 -13.260 11.823 -3.478 1.00 42.12 O ATOM 536 CB ALA A 34 -16.102 11.797 -1.920 1.00 53.21 C ATOM 0 H ALA A 34 -15.360 10.845 0.233 1.00 33.12 H new ATOM 0 HA ALA A 34 -14.839 10.125 -2.413 1.00 35.41 H new ATOM 0 HB1 ALA A 34 -16.233 12.120 -2.953 1.00 53.21 H new ATOM 0 HB2 ALA A 34 -16.936 11.157 -1.632 1.00 53.21 H new ATOM 0 HB3 ALA A 34 -16.072 12.670 -1.268 1.00 53.21 H new ATOM 542 N ASN A 35 -13.015 12.648 -1.400 1.00 52.44 N ATOM 543 CA ASN A 35 -11.875 13.510 -1.745 1.00 12.42 C ATOM 544 C ASN A 35 -10.528 12.774 -1.618 1.00 3.15 C ATOM 545 O ASN A 35 -9.476 13.401 -1.484 1.00 73.34 O ATOM 546 CB ASN A 35 -11.878 14.761 -0.854 1.00 12.41 C ATOM 547 CG ASN A 35 -13.049 15.680 -1.156 1.00 41.11 C ATOM 548 OD1 ASN A 35 -12.953 16.567 -1.997 1.00 63.42 O ATOM 549 ND2 ASN A 35 -14.160 15.478 -0.478 1.00 72.13 N ATOM 0 H ASN A 35 -13.295 12.701 -0.421 1.00 52.44 H new ATOM 0 HA ASN A 35 -11.988 13.801 -2.789 1.00 12.42 H new ATOM 0 HB2 ASN A 35 -11.916 14.459 0.193 1.00 12.41 H new ATOM 0 HB3 ASN A 35 -10.945 15.307 -0.994 1.00 12.41 H new ATOM 0 HD21 ASN A 35 -14.974 16.069 -0.646 1.00 72.13 H new ATOM 0 HD22 ASN A 35 -14.206 14.731 0.215 1.00 72.13 H new ATOM 556 N THR A 36 -10.556 11.444 -1.675 1.00 12.31 N ATOM 557 CA THR A 36 -9.327 10.640 -1.606 1.00 32.01 C ATOM 558 C THR A 36 -9.408 9.408 -2.516 1.00 13.35 C ATOM 559 O THR A 36 -10.288 8.565 -2.355 1.00 72.02 O ATOM 560 CB THR A 36 -9.032 10.173 -0.157 1.00 22.31 C ATOM 561 OG1 THR A 36 -8.843 11.308 0.703 1.00 44.43 O ATOM 562 CG2 THR A 36 -7.789 9.289 -0.100 1.00 34.53 C ATOM 0 H THR A 36 -11.412 10.897 -1.769 1.00 12.31 H new ATOM 0 HA THR A 36 -8.518 11.286 -1.947 1.00 32.01 H new ATOM 0 HB THR A 36 -9.890 9.592 0.182 1.00 22.31 H new ATOM 0 HG1 THR A 36 -8.659 11.000 1.615 1.00 44.43 H new ATOM 0 HG21 THR A 36 -7.610 8.979 0.929 1.00 34.53 H new ATOM 0 HG22 THR A 36 -7.940 8.408 -0.723 1.00 34.53 H new ATOM 0 HG23 THR A 36 -6.928 9.848 -0.465 1.00 34.53 H new ATOM 570 N SER A 37 -8.490 9.311 -3.475 1.00 64.42 N ATOM 571 CA SER A 37 -8.419 8.146 -4.368 1.00 14.32 C ATOM 572 C SER A 37 -7.972 6.892 -3.606 1.00 65.43 C ATOM 573 O SER A 37 -7.403 6.986 -2.517 1.00 3.00 O ATOM 574 CB SER A 37 -7.432 8.403 -5.515 1.00 62.04 C ATOM 575 OG SER A 37 -6.098 8.481 -5.035 1.00 42.03 O ATOM 0 H SER A 37 -7.783 10.023 -3.657 1.00 64.42 H new ATOM 0 HA SER A 37 -9.419 7.985 -4.771 1.00 14.32 H new ATOM 0 HB2 SER A 37 -7.510 7.604 -6.252 1.00 62.04 H new ATOM 0 HB3 SER A 37 -7.694 9.331 -6.023 1.00 62.04 H new ATOM 0 HG SER A 37 -5.544 7.819 -5.499 1.00 42.03 H new ATOM 581 N MET A 38 -8.223 5.716 -4.183 1.00 21.24 N ATOM 582 CA MET A 38 -7.771 4.453 -3.579 1.00 24.12 C ATOM 583 C MET A 38 -6.243 4.442 -3.397 1.00 3.03 C ATOM 584 O MET A 38 -5.734 3.987 -2.374 1.00 71.54 O ATOM 585 CB MET A 38 -8.206 3.255 -4.435 1.00 61.22 C ATOM 586 CG MET A 38 -9.715 3.081 -4.524 1.00 2.33 C ATOM 587 SD MET A 38 -10.191 1.637 -5.499 1.00 63.44 S ATOM 588 CE MET A 38 -11.980 1.721 -5.390 1.00 14.55 C ATOM 0 H MET A 38 -8.732 5.607 -5.060 1.00 21.24 H new ATOM 0 HA MET A 38 -8.236 4.371 -2.597 1.00 24.12 H new ATOM 0 HB2 MET A 38 -7.803 3.373 -5.441 1.00 61.22 H new ATOM 0 HB3 MET A 38 -7.768 2.346 -4.021 1.00 61.22 H new ATOM 0 HG2 MET A 38 -10.126 2.988 -3.519 1.00 2.33 H new ATOM 0 HG3 MET A 38 -10.155 3.975 -4.967 1.00 2.33 H new ATOM 0 HE1 MET A 38 -12.406 0.749 -5.638 1.00 14.55 H new ATOM 0 HE2 MET A 38 -12.270 1.996 -4.376 1.00 14.55 H new ATOM 0 HE3 MET A 38 -12.352 2.469 -6.090 1.00 14.55 H new ATOM 598 N SER A 39 -5.525 4.960 -4.392 1.00 24.21 N ATOM 599 CA SER A 39 -4.060 5.047 -4.334 1.00 74.42 C ATOM 600 C SER A 39 -3.596 5.915 -3.154 1.00 10.11 C ATOM 601 O SER A 39 -2.691 5.535 -2.411 1.00 62.41 O ATOM 602 CB SER A 39 -3.505 5.620 -5.645 1.00 33.02 C ATOM 603 OG SER A 39 -3.996 6.933 -5.881 1.00 13.12 O ATOM 0 H SER A 39 -5.932 5.328 -5.252 1.00 24.21 H new ATOM 0 HA SER A 39 -3.676 4.037 -4.189 1.00 74.42 H new ATOM 0 HB2 SER A 39 -2.416 5.638 -5.605 1.00 33.02 H new ATOM 0 HB3 SER A 39 -3.783 4.970 -6.475 1.00 33.02 H new ATOM 0 HG SER A 39 -3.626 7.275 -6.722 1.00 13.12 H new ATOM 609 N ALA A 40 -4.222 7.080 -2.991 1.00 14.42 N ATOM 610 CA ALA A 40 -3.886 8.000 -1.897 1.00 14.33 C ATOM 611 C ALA A 40 -4.279 7.427 -0.523 1.00 33.44 C ATOM 612 O ALA A 40 -3.561 7.602 0.466 1.00 51.12 O ATOM 613 CB ALA A 40 -4.560 9.349 -2.127 1.00 74.14 C ATOM 0 H ALA A 40 -4.967 7.413 -3.603 1.00 14.42 H new ATOM 0 HA ALA A 40 -2.804 8.134 -1.893 1.00 14.33 H new ATOM 0 HB1 ALA A 40 -4.306 10.026 -1.312 1.00 74.14 H new ATOM 0 HB2 ALA A 40 -4.215 9.772 -3.071 1.00 74.14 H new ATOM 0 HB3 ALA A 40 -5.641 9.214 -2.164 1.00 74.14 H new ATOM 619 N TYR A 41 -5.419 6.738 -0.473 1.00 11.42 N ATOM 620 CA TYR A 41 -5.906 6.133 0.774 1.00 41.04 C ATOM 621 C TYR A 41 -4.979 4.992 1.234 1.00 25.42 C ATOM 622 O TYR A 41 -4.497 4.996 2.367 1.00 2.53 O ATOM 623 CB TYR A 41 -7.342 5.622 0.588 1.00 4.34 C ATOM 624 CG TYR A 41 -7.984 5.100 1.865 1.00 2.14 C ATOM 625 CD1 TYR A 41 -8.432 5.976 2.851 1.00 52.51 C ATOM 626 CD2 TYR A 41 -8.139 3.735 2.082 1.00 35.54 C ATOM 627 CE1 TYR A 41 -9.017 5.505 4.012 1.00 4.32 C ATOM 628 CE2 TYR A 41 -8.725 3.259 3.241 1.00 3.44 C ATOM 629 CZ TYR A 41 -9.162 4.145 4.202 1.00 14.21 C ATOM 630 OH TYR A 41 -9.742 3.669 5.359 1.00 73.35 O ATOM 0 H TYR A 41 -6.025 6.583 -1.279 1.00 11.42 H new ATOM 0 HA TYR A 41 -5.904 6.898 1.550 1.00 41.04 H new ATOM 0 HB2 TYR A 41 -7.955 6.430 0.189 1.00 4.34 H new ATOM 0 HB3 TYR A 41 -7.340 4.826 -0.157 1.00 4.34 H new ATOM 0 HD1 TYR A 41 -8.321 7.040 2.706 1.00 52.51 H new ATOM 0 HD2 TYR A 41 -7.796 3.036 1.334 1.00 35.54 H new ATOM 0 HE1 TYR A 41 -9.359 6.198 4.767 1.00 4.32 H new ATOM 0 HE2 TYR A 41 -8.840 2.196 3.392 1.00 3.44 H new ATOM 0 HH TYR A 41 -10.391 4.323 5.692 1.00 73.35 H new ATOM 640 N ILE A 42 -4.730 4.022 0.351 1.00 61.22 N ATOM 641 CA ILE A 42 -3.798 2.928 0.658 1.00 11.42 C ATOM 642 C ILE A 42 -2.400 3.478 0.983 1.00 52.44 C ATOM 643 O ILE A 42 -1.708 2.973 1.871 1.00 30.32 O ATOM 644 CB ILE A 42 -3.694 1.912 -0.513 1.00 61.30 C ATOM 645 CG1 ILE A 42 -5.078 1.324 -0.852 1.00 62.40 C ATOM 646 CG2 ILE A 42 -2.707 0.795 -0.169 1.00 14.52 C ATOM 647 CD1 ILE A 42 -5.715 0.533 0.276 1.00 75.24 C ATOM 0 H ILE A 42 -5.155 3.969 -0.575 1.00 61.22 H new ATOM 0 HA ILE A 42 -4.195 2.408 1.530 1.00 11.42 H new ATOM 0 HB ILE A 42 -3.324 2.442 -1.391 1.00 61.30 H new ATOM 0 HG12 ILE A 42 -5.747 2.138 -1.132 1.00 62.40 H new ATOM 0 HG13 ILE A 42 -4.981 0.677 -1.724 1.00 62.40 H new ATOM 0 HG21 ILE A 42 -2.647 0.093 -1.001 1.00 14.52 H new ATOM 0 HG22 ILE A 42 -1.722 1.224 0.015 1.00 14.52 H new ATOM 0 HG23 ILE A 42 -3.047 0.271 0.724 1.00 14.52 H new ATOM 0 HD11 ILE A 42 -6.685 0.155 -0.047 1.00 75.24 H new ATOM 0 HD12 ILE A 42 -5.070 -0.304 0.543 1.00 75.24 H new ATOM 0 HD13 ILE A 42 -5.848 1.179 1.144 1.00 75.24 H new ATOM 659 N ARG A 43 -2.004 4.530 0.264 1.00 34.24 N ATOM 660 CA ARG A 43 -0.739 5.222 0.522 1.00 51.32 C ATOM 661 C ARG A 43 -0.620 5.634 1.995 1.00 55.13 C ATOM 662 O ARG A 43 0.334 5.265 2.673 1.00 53.23 O ATOM 663 CB ARG A 43 -0.624 6.467 -0.366 1.00 24.04 C ATOM 664 CG ARG A 43 0.623 7.309 -0.100 1.00 1.23 C ATOM 665 CD ARG A 43 0.555 8.652 -0.816 1.00 23.44 C ATOM 666 NE ARG A 43 -0.602 9.440 -0.388 1.00 31.32 N ATOM 667 CZ ARG A 43 -0.965 10.571 -0.932 1.00 74.14 C ATOM 668 NH1 ARG A 43 -0.274 11.094 -1.893 1.00 13.50 N ATOM 669 NH2 ARG A 43 -2.007 11.194 -0.493 1.00 51.23 N ATOM 0 H ARG A 43 -2.545 4.924 -0.506 1.00 34.24 H new ATOM 0 HA ARG A 43 0.070 4.530 0.289 1.00 51.32 H new ATOM 0 HB2 ARG A 43 -0.624 6.156 -1.411 1.00 24.04 H new ATOM 0 HB3 ARG A 43 -1.507 7.088 -0.219 1.00 24.04 H new ATOM 0 HG2 ARG A 43 0.731 7.473 0.972 1.00 1.23 H new ATOM 0 HG3 ARG A 43 1.508 6.764 -0.430 1.00 1.23 H new ATOM 0 HD2 ARG A 43 1.469 9.214 -0.622 1.00 23.44 H new ATOM 0 HD3 ARG A 43 0.504 8.488 -1.892 1.00 23.44 H new ATOM 0 HE ARG A 43 -1.162 9.082 0.386 1.00 31.32 H new ATOM 0 HH11 ARG A 43 0.564 10.623 -2.234 1.00 13.50 H new ATOM 0 HH12 ARG A 43 -0.567 11.977 -2.310 1.00 13.50 H new ATOM 0 HH21 ARG A 43 -2.547 10.803 0.279 1.00 51.23 H new ATOM 0 HH22 ARG A 43 -2.290 12.077 -0.918 1.00 51.23 H new ATOM 683 N ARG A 44 -1.599 6.392 2.493 1.00 61.41 N ATOM 684 CA ARG A 44 -1.546 6.880 3.874 1.00 20.42 C ATOM 685 C ARG A 44 -1.689 5.727 4.885 1.00 51.50 C ATOM 686 O ARG A 44 -1.164 5.803 5.996 1.00 10.23 O ATOM 687 CB ARG A 44 -2.600 7.970 4.120 1.00 34.24 C ATOM 688 CG ARG A 44 -4.043 7.480 4.173 1.00 24.24 C ATOM 689 CD ARG A 44 -5.016 8.647 4.339 1.00 42.11 C ATOM 690 NE ARG A 44 -4.591 9.560 5.402 1.00 1.25 N ATOM 691 CZ ARG A 44 -4.929 10.821 5.472 1.00 22.05 C ATOM 692 NH1 ARG A 44 -5.760 11.335 4.626 1.00 14.32 N ATOM 693 NH2 ARG A 44 -4.443 11.564 6.410 1.00 10.22 N ATOM 0 H ARG A 44 -2.427 6.678 1.970 1.00 61.41 H new ATOM 0 HA ARG A 44 -0.564 7.328 4.025 1.00 20.42 H new ATOM 0 HB2 ARG A 44 -2.369 8.471 5.060 1.00 34.24 H new ATOM 0 HB3 ARG A 44 -2.516 8.718 3.332 1.00 34.24 H new ATOM 0 HG2 ARG A 44 -4.278 6.934 3.260 1.00 24.24 H new ATOM 0 HG3 ARG A 44 -4.163 6.782 5.002 1.00 24.24 H new ATOM 0 HD2 ARG A 44 -5.092 9.194 3.399 1.00 42.11 H new ATOM 0 HD3 ARG A 44 -6.010 8.262 4.566 1.00 42.11 H new ATOM 0 HE ARG A 44 -3.991 9.187 6.137 1.00 1.25 H new ATOM 0 HH11 ARG A 44 -6.163 10.755 3.890 1.00 14.32 H new ATOM 0 HH12 ARG A 44 -6.013 12.321 4.695 1.00 14.32 H new ATOM 0 HH21 ARG A 44 -3.798 11.167 7.093 1.00 10.22 H new ATOM 0 HH22 ARG A 44 -4.704 12.548 6.468 1.00 10.22 H new ATOM 707 N ILE A 45 -2.387 4.656 4.493 1.00 34.40 N ATOM 708 CA ILE A 45 -2.476 3.446 5.324 1.00 11.24 C ATOM 709 C ILE A 45 -1.078 2.904 5.664 1.00 13.32 C ATOM 710 O ILE A 45 -0.722 2.761 6.835 1.00 21.12 O ATOM 711 CB ILE A 45 -3.303 2.328 4.631 1.00 60.24 C ATOM 712 CG1 ILE A 45 -4.795 2.703 4.595 1.00 43.54 C ATOM 713 CG2 ILE A 45 -3.100 0.976 5.323 1.00 63.54 C ATOM 714 CD1 ILE A 45 -5.675 1.645 3.960 1.00 65.35 C ATOM 0 H ILE A 45 -2.897 4.600 3.611 1.00 34.40 H new ATOM 0 HA ILE A 45 -2.985 3.736 6.243 1.00 11.24 H new ATOM 0 HB ILE A 45 -2.945 2.233 3.606 1.00 60.24 H new ATOM 0 HG12 ILE A 45 -5.139 2.886 5.613 1.00 43.54 H new ATOM 0 HG13 ILE A 45 -4.912 3.637 4.046 1.00 43.54 H new ATOM 0 HG21 ILE A 45 -3.692 0.215 4.815 1.00 63.54 H new ATOM 0 HG22 ILE A 45 -2.046 0.702 5.284 1.00 63.54 H new ATOM 0 HG23 ILE A 45 -3.418 1.048 6.363 1.00 63.54 H new ATOM 0 HD11 ILE A 45 -6.712 1.980 3.971 1.00 65.35 H new ATOM 0 HD12 ILE A 45 -5.358 1.478 2.931 1.00 65.35 H new ATOM 0 HD13 ILE A 45 -5.588 0.715 4.522 1.00 65.35 H new ATOM 726 N ILE A 46 -0.287 2.610 4.634 1.00 74.51 N ATOM 727 CA ILE A 46 1.076 2.112 4.837 1.00 65.01 C ATOM 728 C ILE A 46 2.010 3.225 5.342 1.00 34.43 C ATOM 729 O ILE A 46 2.909 2.970 6.145 1.00 71.04 O ATOM 730 CB ILE A 46 1.655 1.476 3.545 1.00 14.53 C ATOM 731 CG1 ILE A 46 1.653 2.486 2.383 1.00 42.21 C ATOM 732 CG2 ILE A 46 0.863 0.222 3.173 1.00 43.31 C ATOM 733 CD1 ILE A 46 2.168 1.922 1.074 1.00 50.55 C ATOM 0 H ILE A 46 -0.562 2.706 3.656 1.00 74.51 H new ATOM 0 HA ILE A 46 1.017 1.336 5.600 1.00 65.01 H new ATOM 0 HB ILE A 46 2.689 1.191 3.737 1.00 14.53 H new ATOM 0 HG12 ILE A 46 0.637 2.851 2.234 1.00 42.21 H new ATOM 0 HG13 ILE A 46 2.263 3.345 2.661 1.00 42.21 H new ATOM 0 HG21 ILE A 46 1.279 -0.215 2.265 1.00 43.31 H new ATOM 0 HG22 ILE A 46 0.925 -0.502 3.986 1.00 43.31 H new ATOM 0 HG23 ILE A 46 -0.180 0.488 3.003 1.00 43.31 H new ATOM 0 HD11 ILE A 46 2.134 2.695 0.306 1.00 50.55 H new ATOM 0 HD12 ILE A 46 3.196 1.583 1.203 1.00 50.55 H new ATOM 0 HD13 ILE A 46 1.544 1.081 0.770 1.00 50.55 H new ATOM 745 N LEU A 47 1.764 4.459 4.896 1.00 4.21 N ATOM 746 CA LEU A 47 2.540 5.631 5.333 1.00 21.41 C ATOM 747 C LEU A 47 2.637 5.702 6.863 1.00 62.12 C ATOM 748 O LEU A 47 3.731 5.792 7.419 1.00 32.41 O ATOM 749 CB LEU A 47 1.902 6.918 4.785 1.00 25.35 C ATOM 750 CG LEU A 47 2.524 8.245 5.257 1.00 3.11 C ATOM 751 CD1 LEU A 47 3.987 8.353 4.835 1.00 43.44 C ATOM 752 CD2 LEU A 47 1.717 9.423 4.719 1.00 55.44 C ATOM 0 H LEU A 47 1.027 4.678 4.226 1.00 4.21 H new ATOM 0 HA LEU A 47 3.551 5.531 4.938 1.00 21.41 H new ATOM 0 HB2 LEU A 47 1.950 6.886 3.697 1.00 25.35 H new ATOM 0 HB3 LEU A 47 0.847 6.919 5.058 1.00 25.35 H new ATOM 0 HG LEU A 47 2.494 8.267 6.346 1.00 3.11 H new ATOM 0 HD11 LEU A 47 4.397 9.301 5.183 1.00 43.44 H new ATOM 0 HD12 LEU A 47 4.553 7.530 5.272 1.00 43.44 H new ATOM 0 HD13 LEU A 47 4.057 8.305 3.748 1.00 43.44 H new ATOM 0 HD21 LEU A 47 2.165 10.357 5.059 1.00 55.44 H new ATOM 0 HD22 LEU A 47 1.716 9.396 3.629 1.00 55.44 H new ATOM 0 HD23 LEU A 47 0.692 9.359 5.084 1.00 55.44 H new ATOM 764 N ASN A 48 1.491 5.630 7.546 1.00 72.03 N ATOM 765 CA ASN A 48 1.468 5.665 9.017 1.00 1.21 C ATOM 766 C ASN A 48 2.272 4.508 9.643 1.00 33.43 C ATOM 767 O ASN A 48 2.647 4.567 10.812 1.00 33.30 O ATOM 768 CB ASN A 48 0.025 5.652 9.543 1.00 53.54 C ATOM 769 CG ASN A 48 -0.650 7.010 9.417 1.00 74.23 C ATOM 770 OD1 ASN A 48 -0.530 7.858 10.294 1.00 53.21 O ATOM 771 ND2 ASN A 48 -1.378 7.226 8.342 1.00 71.42 N ATOM 0 H ASN A 48 0.572 5.548 7.111 1.00 72.03 H new ATOM 0 HA ASN A 48 1.947 6.597 9.316 1.00 1.21 H new ATOM 0 HB2 ASN A 48 -0.553 4.909 8.993 1.00 53.54 H new ATOM 0 HB3 ASN A 48 0.025 5.345 10.589 1.00 53.54 H new ATOM 0 HD21 ASN A 48 -1.860 8.117 8.223 1.00 71.42 H new ATOM 0 HD22 ASN A 48 -1.460 6.502 7.628 1.00 71.42 H new ATOM 778 N HIS A 49 2.539 3.459 8.868 1.00 72.21 N ATOM 779 CA HIS A 49 3.352 2.336 9.350 1.00 44.02 C ATOM 780 C HIS A 49 4.836 2.518 8.962 1.00 13.23 C ATOM 781 O HIS A 49 5.730 2.024 9.651 1.00 50.12 O ATOM 782 CB HIS A 49 2.808 1.011 8.800 1.00 42.23 C ATOM 783 CG HIS A 49 3.454 -0.205 9.398 1.00 74.25 C ATOM 784 ND1 HIS A 49 3.197 -0.640 10.679 1.00 73.20 N ATOM 785 CD2 HIS A 49 4.360 -1.075 8.888 1.00 70.33 C ATOM 786 CE1 HIS A 49 3.907 -1.720 10.927 1.00 34.33 C ATOM 787 NE2 HIS A 49 4.623 -2.007 9.861 1.00 44.20 N ATOM 0 H HIS A 49 2.208 3.360 7.908 1.00 72.21 H new ATOM 0 HA HIS A 49 3.291 2.314 10.438 1.00 44.02 H new ATOM 0 HB2 HIS A 49 1.734 0.967 8.982 1.00 42.23 H new ATOM 0 HB3 HIS A 49 2.950 0.992 7.719 1.00 42.23 H new ATOM 0 HD2 HIS A 49 4.794 -1.041 7.900 1.00 70.33 H new ATOM 0 HE1 HIS A 49 3.903 -2.278 11.852 1.00 34.33 H new ATOM 0 HE2 HIS A 49 5.267 -2.793 9.772 1.00 44.20 H new ATOM 796 N LEU A 50 5.088 3.227 7.857 1.00 34.00 N ATOM 797 CA LEU A 50 6.462 3.531 7.421 1.00 35.33 C ATOM 798 C LEU A 50 7.085 4.646 8.279 1.00 4.14 C ATOM 799 O LEU A 50 8.237 4.541 8.701 1.00 34.12 O ATOM 800 CB LEU A 50 6.491 3.925 5.929 1.00 11.12 C ATOM 801 CG LEU A 50 6.633 2.759 4.927 1.00 60.13 C ATOM 802 CD1 LEU A 50 7.976 2.052 5.109 1.00 4.31 C ATOM 803 CD2 LEU A 50 5.479 1.766 5.060 1.00 23.32 C ATOM 0 H LEU A 50 4.362 3.602 7.246 1.00 34.00 H new ATOM 0 HA LEU A 50 7.057 2.627 7.553 1.00 35.33 H new ATOM 0 HB2 LEU A 50 5.574 4.467 5.698 1.00 11.12 H new ATOM 0 HB3 LEU A 50 7.319 4.617 5.772 1.00 11.12 H new ATOM 0 HG LEU A 50 6.596 3.179 3.922 1.00 60.13 H new ATOM 0 HD11 LEU A 50 8.056 1.234 4.394 1.00 4.31 H new ATOM 0 HD12 LEU A 50 8.786 2.761 4.941 1.00 4.31 H new ATOM 0 HD13 LEU A 50 8.044 1.656 6.122 1.00 4.31 H new ATOM 0 HD21 LEU A 50 5.610 0.958 4.340 1.00 23.32 H new ATOM 0 HD22 LEU A 50 5.467 1.355 6.069 1.00 23.32 H new ATOM 0 HD23 LEU A 50 4.536 2.276 4.865 1.00 23.32 H new ATOM 815 N GLU A 51 6.322 5.712 8.532 1.00 62.31 N ATOM 816 CA GLU A 51 6.765 6.786 9.436 1.00 31.23 C ATOM 817 C GLU A 51 6.943 6.251 10.865 1.00 72.44 C ATOM 818 O GLU A 51 7.691 6.811 11.669 1.00 64.45 O ATOM 819 CB GLU A 51 5.754 7.946 9.443 1.00 73.14 C ATOM 820 CG GLU A 51 4.373 7.550 9.956 1.00 65.35 C ATOM 821 CD GLU A 51 3.444 8.735 10.160 1.00 2.25 C ATOM 822 OE1 GLU A 51 2.799 9.180 9.184 1.00 53.11 O ATOM 823 OE2 GLU A 51 3.348 9.228 11.305 1.00 4.33 O ATOM 0 H GLU A 51 5.397 5.858 8.127 1.00 62.31 H new ATOM 0 HA GLU A 51 7.724 7.155 9.071 1.00 31.23 H new ATOM 0 HB2 GLU A 51 6.145 8.753 10.062 1.00 73.14 H new ATOM 0 HB3 GLU A 51 5.657 8.339 8.431 1.00 73.14 H new ATOM 0 HG2 GLU A 51 3.916 6.857 9.250 1.00 65.35 H new ATOM 0 HG3 GLU A 51 4.483 7.017 10.900 1.00 65.35 H new ATOM 830 N ASP A 52 6.226 5.174 11.176 1.00 61.15 N ATOM 831 CA ASP A 52 6.343 4.505 12.470 1.00 41.04 C ATOM 832 C ASP A 52 7.691 3.770 12.587 1.00 62.24 C ATOM 833 O ASP A 52 8.538 4.139 13.399 1.00 21.22 O ATOM 834 CB ASP A 52 5.177 3.529 12.654 1.00 54.12 C ATOM 835 CG ASP A 52 5.227 2.811 13.986 1.00 41.43 C ATOM 836 OD1 ASP A 52 4.817 3.402 15.002 1.00 11.13 O ATOM 837 OD2 ASP A 52 5.673 1.646 14.024 1.00 22.33 O ATOM 0 H ASP A 52 5.552 4.743 10.544 1.00 61.15 H new ATOM 0 HA ASP A 52 6.304 5.256 13.259 1.00 41.04 H new ATOM 0 HB2 ASP A 52 4.236 4.073 12.573 1.00 54.12 H new ATOM 0 HB3 ASP A 52 5.191 2.795 11.848 1.00 54.12 H new ATOM 1022 N ASP B 212 -8.222 -14.868 -6.272 1.00 10.02 N ATOM 1023 CA ASP B 212 -8.929 -14.340 -5.100 1.00 35.42 C ATOM 1024 C ASP B 212 -8.291 -13.043 -4.562 1.00 50.13 C ATOM 1025 O ASP B 212 -8.831 -12.410 -3.655 1.00 64.41 O ATOM 1026 CB ASP B 212 -8.959 -15.413 -4.010 1.00 13.24 C ATOM 1027 CG ASP B 212 -7.580 -15.962 -3.709 1.00 63.20 C ATOM 1028 OD1 ASP B 212 -6.984 -16.600 -4.602 1.00 21.31 O ATOM 1029 OD2 ASP B 212 -7.078 -15.760 -2.584 1.00 51.35 O ATOM 0 HA ASP B 212 -9.944 -14.085 -5.404 1.00 35.42 H new ATOM 0 HB2 ASP B 212 -9.387 -14.992 -3.100 1.00 13.24 H new ATOM 0 HB3 ASP B 212 -9.612 -16.228 -4.323 1.00 13.24 H new ATOM 1034 N THR B 213 -7.146 -12.652 -5.120 1.00 71.24 N ATOM 1035 CA THR B 213 -6.468 -11.410 -4.712 1.00 63.41 C ATOM 1036 C THR B 213 -6.462 -10.379 -5.854 1.00 72.13 C ATOM 1037 O THR B 213 -5.747 -10.532 -6.847 1.00 2.42 O ATOM 1038 CB THR B 213 -5.013 -11.671 -4.238 1.00 52.41 C ATOM 1039 OG1 THR B 213 -4.248 -12.308 -5.272 1.00 54.34 O ATOM 1040 CG2 THR B 213 -4.991 -12.542 -2.983 1.00 21.44 C ATOM 0 H THR B 213 -6.665 -13.172 -5.854 1.00 71.24 H new ATOM 0 HA THR B 213 -7.034 -11.008 -3.872 1.00 63.41 H new ATOM 0 HB THR B 213 -4.567 -10.704 -4.004 1.00 52.41 H new ATOM 0 HG1 THR B 213 -4.550 -11.987 -6.147 1.00 54.34 H new ATOM 0 HG21 THR B 213 -3.959 -12.708 -2.674 1.00 21.44 H new ATOM 0 HG22 THR B 213 -5.533 -12.040 -2.182 1.00 21.44 H new ATOM 0 HG23 THR B 213 -5.465 -13.500 -3.197 1.00 21.44 H new ATOM 1048 N LYS B 214 -7.265 -9.326 -5.701 1.00 14.15 N ATOM 1049 CA LYS B 214 -7.447 -8.315 -6.753 1.00 31.33 C ATOM 1050 C LYS B 214 -6.290 -7.296 -6.790 1.00 4.14 C ATOM 1051 O LYS B 214 -5.813 -6.849 -5.746 1.00 0.32 O ATOM 1052 CB LYS B 214 -8.775 -7.575 -6.536 1.00 55.04 C ATOM 1053 CG LYS B 214 -9.997 -8.490 -6.431 1.00 73.23 C ATOM 1054 CD LYS B 214 -10.220 -9.298 -7.706 1.00 12.20 C ATOM 1055 CE LYS B 214 -10.492 -8.403 -8.909 1.00 24.14 C ATOM 1056 NZ LYS B 214 -10.659 -9.194 -10.153 1.00 53.13 N ATOM 0 H LYS B 214 -7.805 -9.147 -4.854 1.00 14.15 H new ATOM 0 HA LYS B 214 -7.458 -8.838 -7.709 1.00 31.33 H new ATOM 0 HB2 LYS B 214 -8.702 -6.981 -5.625 1.00 55.04 H new ATOM 0 HB3 LYS B 214 -8.928 -6.878 -7.360 1.00 55.04 H new ATOM 0 HG2 LYS B 214 -9.869 -9.170 -5.589 1.00 73.23 H new ATOM 0 HG3 LYS B 214 -10.882 -7.889 -6.223 1.00 73.23 H new ATOM 0 HD2 LYS B 214 -9.342 -9.914 -7.903 1.00 12.20 H new ATOM 0 HD3 LYS B 214 -11.060 -9.977 -7.562 1.00 12.20 H new ATOM 0 HE2 LYS B 214 -11.391 -7.814 -8.729 1.00 24.14 H new ATOM 0 HE3 LYS B 214 -9.669 -7.699 -9.033 1.00 24.14 H new ATOM 0 HZ1 LYS B 214 -10.843 -8.552 -10.950 1.00 53.13 H new ATOM 0 HZ2 LYS B 214 -9.792 -9.737 -10.338 1.00 53.13 H new ATOM 0 HZ3 LYS B 214 -11.460 -9.848 -10.044 1.00 53.13 H new ATOM 1070 N PRO B 215 -5.833 -6.904 -8.000 1.00 11.30 N ATOM 1071 CA PRO B 215 -4.719 -5.953 -8.160 1.00 10.25 C ATOM 1072 C PRO B 215 -5.121 -4.476 -7.933 1.00 31.13 C ATOM 1073 O PRO B 215 -5.978 -3.931 -8.637 1.00 45.22 O ATOM 1074 CB PRO B 215 -4.289 -6.182 -9.614 1.00 62.13 C ATOM 1075 CG PRO B 215 -5.541 -6.596 -10.316 1.00 54.32 C ATOM 1076 CD PRO B 215 -6.357 -7.366 -9.305 1.00 44.43 C ATOM 0 HA PRO B 215 -3.935 -6.123 -7.422 1.00 10.25 H new ATOM 0 HB2 PRO B 215 -3.871 -5.275 -10.051 1.00 62.13 H new ATOM 0 HB3 PRO B 215 -3.522 -6.953 -9.684 1.00 62.13 H new ATOM 0 HG2 PRO B 215 -6.090 -5.727 -10.678 1.00 54.32 H new ATOM 0 HG3 PRO B 215 -5.314 -7.214 -11.185 1.00 54.32 H new ATOM 0 HD2 PRO B 215 -7.421 -7.154 -9.406 1.00 44.43 H new ATOM 0 HD3 PRO B 215 -6.233 -8.442 -9.427 1.00 44.43 H new ATOM 1084 N VAL B 216 -4.493 -3.839 -6.943 1.00 2.22 N ATOM 1085 CA VAL B 216 -4.712 -2.416 -6.646 1.00 61.32 C ATOM 1086 C VAL B 216 -3.424 -1.603 -6.884 1.00 75.33 C ATOM 1087 O VAL B 216 -2.379 -1.892 -6.299 1.00 54.23 O ATOM 1088 CB VAL B 216 -5.178 -2.213 -5.179 1.00 22.23 C ATOM 1089 CG1 VAL B 216 -5.433 -0.736 -4.882 1.00 35.02 C ATOM 1090 CG2 VAL B 216 -6.422 -3.052 -4.881 1.00 2.01 C ATOM 0 H VAL B 216 -3.819 -4.291 -6.324 1.00 2.22 H new ATOM 0 HA VAL B 216 -5.494 -2.062 -7.318 1.00 61.32 H new ATOM 0 HB VAL B 216 -4.376 -2.552 -4.523 1.00 22.23 H new ATOM 0 HG11 VAL B 216 -5.758 -0.624 -3.848 1.00 35.02 H new ATOM 0 HG12 VAL B 216 -4.515 -0.170 -5.037 1.00 35.02 H new ATOM 0 HG13 VAL B 216 -6.208 -0.359 -5.549 1.00 35.02 H new ATOM 0 HG21 VAL B 216 -6.729 -2.893 -3.847 1.00 2.01 H new ATOM 0 HG22 VAL B 216 -7.230 -2.755 -5.550 1.00 2.01 H new ATOM 0 HG23 VAL B 216 -6.194 -4.107 -5.033 1.00 2.01 H new ATOM 1100 N VAL B 217 -3.500 -0.594 -7.749 1.00 15.32 N ATOM 1101 CA VAL B 217 -2.336 0.253 -8.051 1.00 21.33 C ATOM 1102 C VAL B 217 -2.176 1.399 -7.028 1.00 42.13 C ATOM 1103 O VAL B 217 -3.010 2.305 -6.943 1.00 43.51 O ATOM 1104 CB VAL B 217 -2.405 0.827 -9.495 1.00 32.32 C ATOM 1105 CG1 VAL B 217 -3.694 1.617 -9.723 1.00 71.52 C ATOM 1106 CG2 VAL B 217 -1.174 1.687 -9.798 1.00 4.52 C ATOM 0 H VAL B 217 -4.349 -0.339 -8.254 1.00 15.32 H new ATOM 0 HA VAL B 217 -1.458 -0.389 -7.978 1.00 21.33 H new ATOM 0 HB VAL B 217 -2.411 -0.016 -10.186 1.00 32.32 H new ATOM 0 HG11 VAL B 217 -3.708 2.003 -10.742 1.00 71.52 H new ATOM 0 HG12 VAL B 217 -4.553 0.964 -9.570 1.00 71.52 H new ATOM 0 HG13 VAL B 217 -3.741 2.448 -9.019 1.00 71.52 H new ATOM 0 HG21 VAL B 217 -1.244 2.078 -10.813 1.00 4.52 H new ATOM 0 HG22 VAL B 217 -1.127 2.516 -9.092 1.00 4.52 H new ATOM 0 HG23 VAL B 217 -0.274 1.080 -9.704 1.00 4.52 H new ATOM 1116 N VAL B 218 -1.101 1.341 -6.245 1.00 24.24 N ATOM 1117 CA VAL B 218 -0.811 2.361 -5.229 1.00 54.25 C ATOM 1118 C VAL B 218 0.372 3.246 -5.664 1.00 15.42 C ATOM 1119 O VAL B 218 1.137 2.875 -6.549 1.00 52.11 O ATOM 1120 CB VAL B 218 -0.485 1.696 -3.865 1.00 72.24 C ATOM 1121 CG1 VAL B 218 -0.404 2.733 -2.741 1.00 15.03 C ATOM 1122 CG2 VAL B 218 -1.511 0.611 -3.536 1.00 2.55 C ATOM 0 H VAL B 218 -0.409 0.593 -6.293 1.00 24.24 H new ATOM 0 HA VAL B 218 -1.699 2.984 -5.120 1.00 54.25 H new ATOM 0 HB VAL B 218 0.495 1.227 -3.948 1.00 72.24 H new ATOM 0 HG11 VAL B 218 -0.174 2.233 -1.800 1.00 15.03 H new ATOM 0 HG12 VAL B 218 0.380 3.456 -2.968 1.00 15.03 H new ATOM 0 HG13 VAL B 218 -1.360 3.250 -2.653 1.00 15.03 H new ATOM 0 HG21 VAL B 218 -1.265 0.157 -2.576 1.00 2.55 H new ATOM 0 HG22 VAL B 218 -2.505 1.054 -3.484 1.00 2.55 H new ATOM 0 HG23 VAL B 218 -1.495 -0.153 -4.314 1.00 2.55 H new ATOM 1132 N ARG B 219 0.511 4.423 -5.053 1.00 5.14 N ATOM 1133 CA ARG B 219 1.649 5.316 -5.329 1.00 52.05 C ATOM 1134 C ARG B 219 2.325 5.768 -4.021 1.00 4.22 C ATOM 1135 O ARG B 219 1.680 6.356 -3.150 1.00 55.10 O ATOM 1136 CB ARG B 219 1.195 6.537 -6.149 1.00 23.52 C ATOM 1137 CG ARG B 219 0.782 6.201 -7.584 1.00 60.45 C ATOM 1138 CD ARG B 219 0.438 7.456 -8.387 1.00 44.15 C ATOM 1139 NE ARG B 219 1.533 8.426 -8.386 1.00 12.01 N ATOM 1140 CZ ARG B 219 1.847 9.204 -9.387 1.00 22.00 C ATOM 1141 NH1 ARG B 219 1.218 9.130 -10.515 1.00 41.44 N ATOM 1142 NH2 ARG B 219 2.813 10.049 -9.253 1.00 73.25 N ATOM 0 H ARG B 219 -0.147 4.785 -4.363 1.00 5.14 H new ATOM 0 HA ARG B 219 2.380 4.758 -5.915 1.00 52.05 H new ATOM 0 HB2 ARG B 219 0.355 7.012 -5.641 1.00 23.52 H new ATOM 0 HB3 ARG B 219 2.005 7.266 -6.176 1.00 23.52 H new ATOM 0 HG2 ARG B 219 1.592 5.664 -8.079 1.00 60.45 H new ATOM 0 HG3 ARG B 219 -0.079 5.533 -7.567 1.00 60.45 H new ATOM 0 HD2 ARG B 219 0.203 7.176 -9.414 1.00 44.15 H new ATOM 0 HD3 ARG B 219 -0.456 7.919 -7.970 1.00 44.15 H new ATOM 0 HE ARG B 219 2.095 8.501 -7.538 1.00 12.01 H new ATOM 0 HH11 ARG B 219 0.462 8.455 -10.634 1.00 41.44 H new ATOM 0 HH12 ARG B 219 1.478 9.746 -11.285 1.00 41.44 H new ATOM 0 HH21 ARG B 219 3.323 10.105 -8.372 1.00 73.25 H new ATOM 0 HH22 ARG B 219 3.066 10.661 -10.029 1.00 73.25 H new ATOM 1156 N LEU B 220 3.626 5.496 -3.900 1.00 24.45 N ATOM 1157 CA LEU B 220 4.381 5.764 -2.666 1.00 33.15 C ATOM 1158 C LEU B 220 5.709 6.484 -2.982 1.00 70.33 C ATOM 1159 O LEU B 220 6.182 6.441 -4.115 1.00 31.03 O ATOM 1160 CB LEU B 220 4.656 4.430 -1.948 1.00 53.33 C ATOM 1161 CG LEU B 220 5.079 4.539 -0.477 1.00 54.10 C ATOM 1162 CD1 LEU B 220 3.937 5.096 0.372 1.00 73.21 C ATOM 1163 CD2 LEU B 220 5.541 3.182 0.053 1.00 2.15 C ATOM 0 H LEU B 220 4.186 5.086 -4.647 1.00 24.45 H new ATOM 0 HA LEU B 220 3.792 6.415 -2.020 1.00 33.15 H new ATOM 0 HB2 LEU B 220 3.756 3.817 -2.003 1.00 53.33 H new ATOM 0 HB3 LEU B 220 5.437 3.900 -2.493 1.00 53.33 H new ATOM 0 HG LEU B 220 5.918 5.231 -0.411 1.00 54.10 H new ATOM 0 HD11 LEU B 220 4.257 5.166 1.412 1.00 73.21 H new ATOM 0 HD12 LEU B 220 3.664 6.087 0.009 1.00 73.21 H new ATOM 0 HD13 LEU B 220 3.074 4.433 0.301 1.00 73.21 H new ATOM 0 HD21 LEU B 220 5.837 3.281 1.097 1.00 2.15 H new ATOM 0 HD22 LEU B 220 4.725 2.463 -0.027 1.00 2.15 H new ATOM 0 HD23 LEU B 220 6.391 2.833 -0.533 1.00 2.15 H new ATOM 1175 N TYR B 221 6.314 7.145 -1.991 1.00 41.14 N ATOM 1176 CA TYR B 221 7.571 7.884 -2.220 1.00 63.23 C ATOM 1177 C TYR B 221 8.757 6.945 -2.525 1.00 1.52 C ATOM 1178 O TYR B 221 8.828 5.828 -2.011 1.00 12.14 O ATOM 1179 CB TYR B 221 7.917 8.765 -1.010 1.00 31.43 C ATOM 1180 CG TYR B 221 7.024 9.979 -0.848 1.00 62.24 C ATOM 1181 CD1 TYR B 221 6.657 10.747 -1.948 1.00 2.55 C ATOM 1182 CD2 TYR B 221 6.566 10.370 0.406 1.00 42.33 C ATOM 1183 CE1 TYR B 221 5.854 11.858 -1.803 1.00 34.35 C ATOM 1184 CE2 TYR B 221 5.762 11.482 0.557 1.00 73.13 C ATOM 1185 CZ TYR B 221 5.410 12.224 -0.551 1.00 72.11 C ATOM 1186 OH TYR B 221 4.606 13.333 -0.408 1.00 12.14 O ATOM 0 H TYR B 221 5.965 7.187 -1.034 1.00 41.14 H new ATOM 0 HA TYR B 221 7.404 8.513 -3.095 1.00 63.23 H new ATOM 0 HB2 TYR B 221 7.856 8.160 -0.105 1.00 31.43 H new ATOM 0 HB3 TYR B 221 8.951 9.098 -1.101 1.00 31.43 H new ATOM 0 HD1 TYR B 221 7.007 10.469 -2.931 1.00 2.55 H new ATOM 0 HD2 TYR B 221 6.844 9.794 1.276 1.00 42.33 H new ATOM 0 HE1 TYR B 221 5.574 12.440 -2.668 1.00 34.35 H new ATOM 0 HE2 TYR B 221 5.411 11.769 1.537 1.00 73.13 H new ATOM 0 HH TYR B 221 4.380 13.453 0.538 1.00 12.14 H new ATOM 1196 N PRO B 222 9.720 7.403 -3.362 1.00 22.33 N ATOM 1197 CA PRO B 222 10.921 6.615 -3.709 1.00 61.25 C ATOM 1198 C PRO B 222 11.757 6.230 -2.477 1.00 52.32 C ATOM 1199 O PRO B 222 12.272 5.115 -2.389 1.00 32.04 O ATOM 1200 CB PRO B 222 11.723 7.556 -4.628 1.00 22.23 C ATOM 1201 CG PRO B 222 10.724 8.541 -5.136 1.00 50.30 C ATOM 1202 CD PRO B 222 9.715 8.715 -4.032 1.00 64.22 C ATOM 0 HA PRO B 222 10.654 5.667 -4.175 1.00 61.25 H new ATOM 0 HB2 PRO B 222 12.525 8.053 -4.082 1.00 22.23 H new ATOM 0 HB3 PRO B 222 12.188 7.007 -5.447 1.00 22.23 H new ATOM 0 HG2 PRO B 222 11.201 9.490 -5.381 1.00 50.30 H new ATOM 0 HG3 PRO B 222 10.247 8.179 -6.047 1.00 50.30 H new ATOM 0 HD2 PRO B 222 9.999 9.517 -3.350 1.00 64.22 H new ATOM 0 HD3 PRO B 222 8.729 8.964 -4.423 1.00 64.22 H new ATOM 1210 N ASP B 223 11.882 7.160 -1.530 1.00 41.55 N ATOM 1211 CA ASP B 223 12.617 6.911 -0.286 1.00 73.54 C ATOM 1212 C ASP B 223 11.920 5.836 0.565 1.00 33.04 C ATOM 1213 O ASP B 223 12.575 4.977 1.161 1.00 50.04 O ATOM 1214 CB ASP B 223 12.769 8.222 0.501 1.00 44.15 C ATOM 1215 CG ASP B 223 11.440 8.931 0.704 1.00 44.22 C ATOM 1216 OD1 ASP B 223 10.933 9.523 -0.270 1.00 34.34 O ATOM 1217 OD2 ASP B 223 10.898 8.885 1.831 1.00 72.32 O ATOM 0 H ASP B 223 11.483 8.096 -1.600 1.00 41.55 H new ATOM 0 HA ASP B 223 13.609 6.535 -0.538 1.00 73.54 H new ATOM 0 HB2 ASP B 223 13.217 8.010 1.472 1.00 44.15 H new ATOM 0 HB3 ASP B 223 13.454 8.884 -0.029 1.00 44.15 H new ATOM 1222 N GLU B 224 10.588 5.877 0.607 1.00 34.43 N ATOM 1223 CA GLU B 224 9.806 4.853 1.306 1.00 51.14 C ATOM 1224 C GLU B 224 9.981 3.481 0.636 1.00 63.12 C ATOM 1225 O GLU B 224 10.139 2.463 1.309 1.00 74.24 O ATOM 1226 CB GLU B 224 8.319 5.234 1.334 1.00 3.14 C ATOM 1227 CG GLU B 224 8.024 6.549 2.046 1.00 0.34 C ATOM 1228 CD GLU B 224 6.532 6.820 2.173 1.00 43.32 C ATOM 1229 OE1 GLU B 224 5.947 7.415 1.238 1.00 41.13 O ATOM 1230 OE2 GLU B 224 5.944 6.430 3.203 1.00 71.34 O ATOM 0 H GLU B 224 10.027 6.606 0.166 1.00 34.43 H new ATOM 0 HA GLU B 224 10.174 4.791 2.330 1.00 51.14 H new ATOM 0 HB2 GLU B 224 7.953 5.298 0.309 1.00 3.14 H new ATOM 0 HB3 GLU B 224 7.760 4.436 1.823 1.00 3.14 H new ATOM 0 HG2 GLU B 224 8.472 6.529 3.039 1.00 0.34 H new ATOM 0 HG3 GLU B 224 8.494 7.367 1.500 1.00 0.34 H new ATOM 1237 N ILE B 225 9.961 3.467 -0.699 1.00 41.11 N ATOM 1238 CA ILE B 225 10.172 2.233 -1.469 1.00 11.23 C ATOM 1239 C ILE B 225 11.609 1.703 -1.307 1.00 54.32 C ATOM 1240 O ILE B 225 11.834 0.491 -1.253 1.00 54.15 O ATOM 1241 CB ILE B 225 9.855 2.444 -2.974 1.00 41.51 C ATOM 1242 CG1 ILE B 225 8.384 2.861 -3.153 1.00 11.22 C ATOM 1243 CG2 ILE B 225 10.162 1.179 -3.784 1.00 3.35 C ATOM 1244 CD1 ILE B 225 7.992 3.132 -4.590 1.00 72.13 C ATOM 0 H ILE B 225 9.801 4.296 -1.272 1.00 41.11 H new ATOM 0 HA ILE B 225 9.483 1.490 -1.068 1.00 11.23 H new ATOM 0 HB ILE B 225 10.493 3.243 -3.350 1.00 41.51 H new ATOM 0 HG12 ILE B 225 7.743 2.075 -2.754 1.00 11.22 H new ATOM 0 HG13 ILE B 225 8.196 3.757 -2.561 1.00 11.22 H new ATOM 0 HG21 ILE B 225 9.931 1.355 -4.835 1.00 3.35 H new ATOM 0 HG22 ILE B 225 11.218 0.929 -3.682 1.00 3.35 H new ATOM 0 HG23 ILE B 225 9.556 0.353 -3.412 1.00 3.35 H new ATOM 0 HD11 ILE B 225 6.942 3.420 -4.632 1.00 72.13 H new ATOM 0 HD12 ILE B 225 8.606 3.940 -4.989 1.00 72.13 H new ATOM 0 HD13 ILE B 225 8.146 2.232 -5.185 1.00 72.13 H new ATOM 1256 N GLU B 226 12.579 2.610 -1.219 1.00 72.13 N ATOM 1257 CA GLU B 226 13.968 2.222 -0.965 1.00 64.05 C ATOM 1258 C GLU B 226 14.113 1.621 0.441 1.00 15.23 C ATOM 1259 O GLU B 226 14.764 0.590 0.628 1.00 1.24 O ATOM 1260 CB GLU B 226 14.906 3.422 -1.137 1.00 22.23 C ATOM 1261 CG GLU B 226 16.366 3.107 -0.827 1.00 33.24 C ATOM 1262 CD GLU B 226 17.303 4.252 -1.166 1.00 10.41 C ATOM 1263 OE1 GLU B 226 17.107 5.363 -0.638 1.00 50.51 O ATOM 1264 OE2 GLU B 226 18.248 4.046 -1.960 1.00 41.33 O ATOM 0 H GLU B 226 12.432 3.614 -1.319 1.00 72.13 H new ATOM 0 HA GLU B 226 14.248 1.462 -1.694 1.00 64.05 H new ATOM 0 HB2 GLU B 226 14.832 3.786 -2.162 1.00 22.23 H new ATOM 0 HB3 GLU B 226 14.571 4.230 -0.486 1.00 22.23 H new ATOM 0 HG2 GLU B 226 16.463 2.866 0.232 1.00 33.24 H new ATOM 0 HG3 GLU B 226 16.667 2.220 -1.385 1.00 33.24 H new ATOM 1271 N ALA B 227 13.494 2.263 1.427 1.00 21.41 N ATOM 1272 CA ALA B 227 13.423 1.704 2.778 1.00 2.54 C ATOM 1273 C ALA B 227 12.680 0.360 2.764 1.00 75.35 C ATOM 1274 O ALA B 227 13.042 -0.578 3.476 1.00 63.52 O ATOM 1275 CB ALA B 227 12.738 2.688 3.719 1.00 74.33 C ATOM 0 H ALA B 227 13.035 3.168 1.319 1.00 21.41 H new ATOM 0 HA ALA B 227 14.437 1.529 3.139 1.00 2.54 H new ATOM 0 HB1 ALA B 227 12.691 2.261 4.721 1.00 74.33 H new ATOM 0 HB2 ALA B 227 13.305 3.619 3.747 1.00 74.33 H new ATOM 0 HB3 ALA B 227 11.728 2.889 3.363 1.00 74.33 H new ATOM 1281 N LEU B 228 11.652 0.278 1.921 1.00 35.53 N ATOM 1282 CA LEU B 228 10.860 -0.943 1.757 1.00 20.31 C ATOM 1283 C LEU B 228 11.743 -2.131 1.336 1.00 71.24 C ATOM 1284 O LEU B 228 11.781 -3.154 2.020 1.00 14.04 O ATOM 1285 CB LEU B 228 9.743 -0.715 0.729 1.00 1.02 C ATOM 1286 CG LEU B 228 8.780 -1.894 0.519 1.00 72.22 C ATOM 1287 CD1 LEU B 228 8.049 -2.229 1.818 1.00 72.45 C ATOM 1288 CD2 LEU B 228 7.788 -1.585 -0.603 1.00 31.41 C ATOM 0 H LEU B 228 11.344 1.053 1.333 1.00 35.53 H new ATOM 0 HA LEU B 228 10.412 -1.187 2.720 1.00 20.31 H new ATOM 0 HB2 LEU B 228 9.162 0.154 1.038 1.00 1.02 H new ATOM 0 HB3 LEU B 228 10.201 -0.469 -0.229 1.00 1.02 H new ATOM 0 HG LEU B 228 9.363 -2.767 0.224 1.00 72.22 H new ATOM 0 HD11 LEU B 228 7.372 -3.066 1.649 1.00 72.45 H new ATOM 0 HD12 LEU B 228 8.775 -2.499 2.585 1.00 72.45 H new ATOM 0 HD13 LEU B 228 7.478 -1.361 2.148 1.00 72.45 H new ATOM 0 HD21 LEU B 228 7.115 -2.432 -0.737 1.00 31.41 H new ATOM 0 HD22 LEU B 228 7.209 -0.699 -0.343 1.00 31.41 H new ATOM 0 HD23 LEU B 228 8.332 -1.404 -1.530 1.00 31.41 H new ATOM 1300 N LYS B 229 12.473 -1.985 0.229 1.00 71.42 N ATOM 1301 CA LYS B 229 13.347 -3.061 -0.265 1.00 61.24 C ATOM 1302 C LYS B 229 14.456 -3.402 0.750 1.00 72.34 C ATOM 1303 O LYS B 229 15.094 -4.452 0.659 1.00 35.15 O ATOM 1304 CB LYS B 229 13.962 -2.678 -1.619 1.00 40.11 C ATOM 1305 CG LYS B 229 14.962 -1.529 -1.547 1.00 20.22 C ATOM 1306 CD LYS B 229 15.400 -1.060 -2.933 1.00 1.11 C ATOM 1307 CE LYS B 229 16.461 0.034 -2.845 1.00 25.04 C ATOM 1308 NZ LYS B 229 16.739 0.656 -4.166 1.00 3.21 N ATOM 0 H LYS B 229 12.480 -1.140 -0.342 1.00 71.42 H new ATOM 0 HA LYS B 229 12.731 -3.950 -0.397 1.00 61.24 H new ATOM 0 HB2 LYS B 229 14.459 -3.552 -2.040 1.00 40.11 H new ATOM 0 HB3 LYS B 229 13.161 -2.405 -2.306 1.00 40.11 H new ATOM 0 HG2 LYS B 229 14.516 -0.694 -1.007 1.00 20.22 H new ATOM 0 HG3 LYS B 229 15.837 -1.845 -0.979 1.00 20.22 H new ATOM 0 HD2 LYS B 229 15.794 -1.906 -3.497 1.00 1.11 H new ATOM 0 HD3 LYS B 229 14.535 -0.686 -3.482 1.00 1.11 H new ATOM 0 HE2 LYS B 229 16.131 0.802 -2.146 1.00 25.04 H new ATOM 0 HE3 LYS B 229 17.382 -0.388 -2.443 1.00 25.04 H new ATOM 0 HZ1 LYS B 229 17.465 1.393 -4.057 1.00 3.21 H new ATOM 0 HZ2 LYS B 229 17.080 -0.071 -4.827 1.00 3.21 H new ATOM 0 HZ3 LYS B 229 15.867 1.082 -4.539 1.00 3.21 H new ATOM 1322 N SER B 230 14.677 -2.508 1.712 1.00 22.24 N ATOM 1323 CA SER B 230 15.661 -2.735 2.780 1.00 14.23 C ATOM 1324 C SER B 230 15.033 -3.452 3.990 1.00 63.21 C ATOM 1325 O SER B 230 15.741 -4.076 4.782 1.00 13.12 O ATOM 1326 CB SER B 230 16.277 -1.402 3.235 1.00 43.22 C ATOM 1327 OG SER B 230 17.242 -1.594 4.266 1.00 31.32 O ATOM 0 H SER B 230 14.188 -1.615 1.778 1.00 22.24 H new ATOM 0 HA SER B 230 16.441 -3.376 2.371 1.00 14.23 H new ATOM 0 HB2 SER B 230 16.746 -0.908 2.384 1.00 43.22 H new ATOM 0 HB3 SER B 230 15.489 -0.740 3.593 1.00 43.22 H new ATOM 0 HG SER B 230 17.615 -0.727 4.531 1.00 31.32 H new ATOM 1333 N ARG B 231 13.711 -3.350 4.135 1.00 31.33 N ATOM 1334 CA ARG B 231 12.999 -3.966 5.273 1.00 71.32 C ATOM 1335 C ARG B 231 12.227 -5.236 4.865 1.00 21.25 C ATOM 1336 O ARG B 231 11.669 -5.930 5.720 1.00 21.13 O ATOM 1337 CB ARG B 231 12.039 -2.947 5.907 1.00 52.20 C ATOM 1338 CG ARG B 231 10.944 -2.466 4.962 1.00 52.31 C ATOM 1339 CD ARG B 231 10.188 -1.265 5.521 1.00 53.32 C ATOM 1340 NE ARG B 231 9.408 -1.596 6.712 1.00 12.34 N ATOM 1341 CZ ARG B 231 9.170 -0.757 7.684 1.00 3.24 C ATOM 1342 NH1 ARG B 231 9.748 0.405 7.708 1.00 50.11 N ATOM 1343 NH2 ARG B 231 8.386 -1.100 8.649 1.00 25.51 N ATOM 0 H ARG B 231 13.106 -2.849 3.484 1.00 31.33 H new ATOM 0 HA ARG B 231 13.752 -4.266 6.002 1.00 71.32 H new ATOM 0 HB2 ARG B 231 11.577 -3.395 6.786 1.00 52.20 H new ATOM 0 HB3 ARG B 231 12.613 -2.087 6.252 1.00 52.20 H new ATOM 0 HG2 ARG B 231 11.386 -2.200 4.002 1.00 52.31 H new ATOM 0 HG3 ARG B 231 10.243 -3.280 4.776 1.00 52.31 H new ATOM 0 HD2 ARG B 231 10.898 -0.475 5.764 1.00 53.32 H new ATOM 0 HD3 ARG B 231 9.522 -0.870 4.753 1.00 53.32 H new ATOM 0 HE ARG B 231 9.027 -2.539 6.789 1.00 12.34 H new ATOM 0 HH11 ARG B 231 10.394 0.669 6.964 1.00 50.11 H new ATOM 0 HH12 ARG B 231 9.556 1.054 8.471 1.00 50.11 H new ATOM 0 HH21 ARG B 231 7.954 -2.024 8.651 1.00 25.51 H new ATOM 0 HH22 ARG B 231 8.198 -0.447 9.410 1.00 25.51 H new ATOM 1357 N VAL B 232 12.172 -5.532 3.566 1.00 23.35 N ATOM 1358 CA VAL B 232 11.537 -6.769 3.091 1.00 24.34 C ATOM 1359 C VAL B 232 12.469 -7.980 3.283 1.00 34.41 C ATOM 1360 O VAL B 232 13.680 -7.888 3.057 1.00 51.15 O ATOM 1361 CB VAL B 232 11.117 -6.685 1.598 1.00 24.32 C ATOM 1362 CG1 VAL B 232 10.045 -5.618 1.390 1.00 41.11 C ATOM 1363 CG2 VAL B 232 12.325 -6.426 0.698 1.00 21.55 C ATOM 0 H VAL B 232 12.554 -4.941 2.828 1.00 23.35 H new ATOM 0 HA VAL B 232 10.637 -6.898 3.693 1.00 24.34 H new ATOM 0 HB VAL B 232 10.692 -7.649 1.318 1.00 24.32 H new ATOM 0 HG11 VAL B 232 9.769 -5.580 0.336 1.00 41.11 H new ATOM 0 HG12 VAL B 232 9.166 -5.864 1.987 1.00 41.11 H new ATOM 0 HG13 VAL B 232 10.433 -4.647 1.699 1.00 41.11 H new ATOM 0 HG21 VAL B 232 12.000 -6.372 -0.341 1.00 21.55 H new ATOM 0 HG22 VAL B 232 12.794 -5.483 0.981 1.00 21.55 H new ATOM 0 HG23 VAL B 232 13.044 -7.237 0.812 1.00 21.55 H new ATOM 1373 N PRO B 233 11.919 -9.129 3.717 1.00 23.43 N ATOM 1374 CA PRO B 233 12.701 -10.367 3.879 1.00 52.13 C ATOM 1375 C PRO B 233 13.135 -10.976 2.533 1.00 23.50 C ATOM 1376 O PRO B 233 12.515 -10.731 1.495 1.00 30.43 O ATOM 1377 CB PRO B 233 11.731 -11.301 4.619 1.00 1.42 C ATOM 1378 CG PRO B 233 10.373 -10.804 4.264 1.00 55.24 C ATOM 1379 CD PRO B 233 10.503 -9.313 4.097 1.00 42.44 C ATOM 0 HA PRO B 233 13.636 -10.194 4.413 1.00 52.13 H new ATOM 0 HB2 PRO B 233 11.866 -12.337 4.308 1.00 1.42 H new ATOM 0 HB3 PRO B 233 11.895 -11.267 5.696 1.00 1.42 H new ATOM 0 HG2 PRO B 233 10.016 -11.269 3.345 1.00 55.24 H new ATOM 0 HG3 PRO B 233 9.653 -11.047 5.045 1.00 55.24 H new ATOM 0 HD2 PRO B 233 9.829 -8.935 3.328 1.00 42.44 H new ATOM 0 HD3 PRO B 233 10.263 -8.784 5.019 1.00 42.44 H new ATOM 1387 N ALA B 234 14.183 -11.802 2.559 1.00 75.23 N ATOM 1388 CA ALA B 234 14.758 -12.381 1.333 1.00 52.20 C ATOM 1389 C ALA B 234 13.851 -13.449 0.682 1.00 43.31 C ATOM 1390 O ALA B 234 14.251 -14.111 -0.282 1.00 72.12 O ATOM 1391 CB ALA B 234 16.131 -12.971 1.640 1.00 71.25 C ATOM 0 H ALA B 234 14.655 -12.088 3.416 1.00 75.23 H new ATOM 0 HA ALA B 234 14.850 -11.571 0.609 1.00 52.20 H new ATOM 0 HB1 ALA B 234 16.555 -13.399 0.731 1.00 71.25 H new ATOM 0 HB2 ALA B 234 16.789 -12.186 2.013 1.00 71.25 H new ATOM 0 HB3 ALA B 234 16.031 -13.750 2.396 1.00 71.25 H new ATOM 1397 N ASN B 235 12.632 -13.613 1.202 1.00 54.11 N ATOM 1398 CA ASN B 235 11.687 -14.608 0.674 1.00 50.53 C ATOM 1399 C ASN B 235 10.306 -13.992 0.378 1.00 34.22 C ATOM 1400 O ASN B 235 9.331 -14.715 0.165 1.00 14.32 O ATOM 1401 CB ASN B 235 11.531 -15.759 1.676 1.00 34.05 C ATOM 1402 CG ASN B 235 12.845 -16.455 1.973 1.00 55.34 C ATOM 1403 OD1 ASN B 235 13.226 -17.407 1.301 1.00 5.20 O ATOM 1404 ND2 ASN B 235 13.551 -15.985 2.979 1.00 44.31 N ATOM 0 H ASN B 235 12.274 -13.071 1.988 1.00 54.11 H new ATOM 0 HA ASN B 235 12.094 -14.982 -0.266 1.00 50.53 H new ATOM 0 HB2 ASN B 235 11.110 -15.373 2.605 1.00 34.05 H new ATOM 0 HB3 ASN B 235 10.820 -16.485 1.282 1.00 34.05 H new ATOM 0 HD21 ASN B 235 14.444 -16.414 3.220 1.00 44.31 H new ATOM 0 HD22 ASN B 235 13.205 -15.191 3.518 1.00 44.31 H new ATOM 1411 N THR B 236 10.228 -12.662 0.343 1.00 23.20 N ATOM 1412 CA THR B 236 8.944 -11.967 0.151 1.00 72.14 C ATOM 1413 C THR B 236 9.092 -10.724 -0.743 1.00 51.42 C ATOM 1414 O THR B 236 9.900 -9.837 -0.464 1.00 2.34 O ATOM 1415 CB THR B 236 8.320 -11.529 1.503 1.00 31.52 C ATOM 1416 OG1 THR B 236 8.112 -12.666 2.359 1.00 30.03 O ATOM 1417 CG2 THR B 236 6.991 -10.809 1.298 1.00 1.11 C ATOM 0 H THR B 236 11.032 -12.042 0.444 1.00 23.20 H new ATOM 0 HA THR B 236 8.286 -12.686 -0.337 1.00 72.14 H new ATOM 0 HB THR B 236 9.023 -10.841 1.973 1.00 31.52 H new ATOM 0 HG1 THR B 236 7.720 -12.370 3.207 1.00 30.03 H new ATOM 0 HG21 THR B 236 6.583 -10.517 2.265 1.00 1.11 H new ATOM 0 HG22 THR B 236 7.149 -9.920 0.687 1.00 1.11 H new ATOM 0 HG23 THR B 236 6.290 -11.475 0.795 1.00 1.11 H new ATOM 1425 N SER B 237 8.294 -10.661 -1.807 1.00 62.04 N ATOM 1426 CA SER B 237 8.300 -9.504 -2.717 1.00 65.24 C ATOM 1427 C SER B 237 7.528 -8.316 -2.121 1.00 52.32 C ATOM 1428 O SER B 237 6.605 -8.506 -1.325 1.00 33.33 O ATOM 1429 CB SER B 237 7.689 -9.885 -4.072 1.00 61.43 C ATOM 1430 OG SER B 237 8.430 -10.922 -4.698 1.00 42.03 O ATOM 0 H SER B 237 7.633 -11.394 -2.065 1.00 62.04 H new ATOM 0 HA SER B 237 9.338 -9.204 -2.858 1.00 65.24 H new ATOM 0 HB2 SER B 237 6.657 -10.207 -3.931 1.00 61.43 H new ATOM 0 HB3 SER B 237 7.664 -9.010 -4.721 1.00 61.43 H new ATOM 0 HG SER B 237 8.017 -11.146 -5.558 1.00 42.03 H new ATOM 1436 N MET B 238 7.907 -7.098 -2.526 1.00 24.02 N ATOM 1437 CA MET B 238 7.274 -5.854 -2.038 1.00 42.44 C ATOM 1438 C MET B 238 5.746 -5.976 -1.904 1.00 43.24 C ATOM 1439 O MET B 238 5.191 -5.739 -0.834 1.00 21.12 O ATOM 1440 CB MET B 238 7.600 -4.686 -2.981 1.00 43.14 C ATOM 1441 CG MET B 238 9.081 -4.355 -3.080 1.00 55.33 C ATOM 1442 SD MET B 238 9.397 -3.001 -4.228 1.00 2.23 S ATOM 1443 CE MET B 238 11.175 -2.839 -4.088 1.00 51.00 C ATOM 0 H MET B 238 8.658 -6.941 -3.198 1.00 24.02 H new ATOM 0 HA MET B 238 7.683 -5.668 -1.045 1.00 42.44 H new ATOM 0 HB2 MET B 238 7.226 -4.923 -3.977 1.00 43.14 H new ATOM 0 HB3 MET B 238 7.064 -3.800 -2.641 1.00 43.14 H new ATOM 0 HG2 MET B 238 9.459 -4.089 -2.093 1.00 55.33 H new ATOM 0 HG3 MET B 238 9.629 -5.240 -3.404 1.00 55.33 H new ATOM 0 HE1 MET B 238 11.420 -1.855 -3.689 1.00 51.00 H new ATOM 0 HE2 MET B 238 11.559 -3.609 -3.418 1.00 51.00 H new ATOM 0 HE3 MET B 238 11.629 -2.955 -5.072 1.00 51.00 H new ATOM 1453 N SER B 239 5.080 -6.350 -2.996 1.00 14.12 N ATOM 1454 CA SER B 239 3.614 -6.488 -3.017 1.00 12.43 C ATOM 1455 C SER B 239 3.101 -7.382 -1.877 1.00 72.44 C ATOM 1456 O SER B 239 2.105 -7.066 -1.229 1.00 0.42 O ATOM 1457 CB SER B 239 3.160 -7.071 -4.360 1.00 23.25 C ATOM 1458 OG SER B 239 3.710 -6.348 -5.451 1.00 11.13 O ATOM 0 H SER B 239 5.531 -6.565 -3.885 1.00 14.12 H new ATOM 0 HA SER B 239 3.194 -5.491 -2.879 1.00 12.43 H new ATOM 0 HB2 SER B 239 3.462 -8.116 -4.425 1.00 23.25 H new ATOM 0 HB3 SER B 239 2.072 -7.049 -4.419 1.00 23.25 H new ATOM 0 HG SER B 239 3.040 -5.724 -5.801 1.00 11.13 H new ATOM 1464 N ALA B 240 3.794 -8.493 -1.632 1.00 42.33 N ATOM 1465 CA ALA B 240 3.393 -9.442 -0.587 1.00 65.15 C ATOM 1466 C ALA B 240 3.713 -8.906 0.818 1.00 14.24 C ATOM 1467 O ALA B 240 3.025 -9.225 1.790 1.00 1.34 O ATOM 1468 CB ALA B 240 4.066 -10.790 -0.819 1.00 3.21 C ATOM 0 H ALA B 240 4.636 -8.761 -2.141 1.00 42.33 H new ATOM 0 HA ALA B 240 2.312 -9.572 -0.645 1.00 65.15 H new ATOM 0 HB1 ALA B 240 3.762 -11.487 -0.038 1.00 3.21 H new ATOM 0 HB2 ALA B 240 3.769 -11.182 -1.792 1.00 3.21 H new ATOM 0 HB3 ALA B 240 5.149 -10.665 -0.793 1.00 3.21 H new ATOM 1474 N TYR B 241 4.758 -8.085 0.918 1.00 33.21 N ATOM 1475 CA TYR B 241 5.138 -7.463 2.191 1.00 53.23 C ATOM 1476 C TYR B 241 4.154 -6.343 2.562 1.00 42.11 C ATOM 1477 O TYR B 241 3.782 -6.188 3.724 1.00 53.24 O ATOM 1478 CB TYR B 241 6.567 -6.912 2.098 1.00 53.44 C ATOM 1479 CG TYR B 241 7.095 -6.325 3.398 1.00 64.23 C ATOM 1480 CD1 TYR B 241 7.639 -7.144 4.382 1.00 15.41 C ATOM 1481 CD2 TYR B 241 7.060 -4.955 3.637 1.00 34.20 C ATOM 1482 CE1 TYR B 241 8.127 -6.617 5.564 1.00 34.41 C ATOM 1483 CE2 TYR B 241 7.549 -4.421 4.815 1.00 62.22 C ATOM 1484 CZ TYR B 241 8.081 -5.255 5.774 1.00 14.52 C ATOM 1485 OH TYR B 241 8.570 -4.723 6.949 1.00 3.43 O ATOM 0 H TYR B 241 5.359 -7.833 0.133 1.00 33.21 H new ATOM 0 HA TYR B 241 5.102 -8.220 2.974 1.00 53.23 H new ATOM 0 HB2 TYR B 241 7.233 -7.713 1.777 1.00 53.44 H new ATOM 0 HB3 TYR B 241 6.598 -6.143 1.326 1.00 53.44 H new ATOM 0 HD1 TYR B 241 7.681 -8.211 4.220 1.00 15.41 H new ATOM 0 HD2 TYR B 241 6.643 -4.297 2.889 1.00 34.20 H new ATOM 0 HE1 TYR B 241 8.542 -7.269 6.319 1.00 34.41 H new ATOM 0 HE2 TYR B 241 7.514 -3.355 4.983 1.00 62.22 H new ATOM 0 HH TYR B 241 9.296 -5.288 7.286 1.00 3.43 H new ATOM 1495 N ILE B 242 3.736 -5.566 1.564 1.00 13.54 N ATOM 1496 CA ILE B 242 2.713 -4.533 1.760 1.00 20.43 C ATOM 1497 C ILE B 242 1.338 -5.172 2.017 1.00 33.35 C ATOM 1498 O ILE B 242 0.525 -4.641 2.776 1.00 53.14 O ATOM 1499 CB ILE B 242 2.621 -3.584 0.533 1.00 32.44 C ATOM 1500 CG1 ILE B 242 3.965 -2.873 0.297 1.00 0.13 C ATOM 1501 CG2 ILE B 242 1.496 -2.557 0.711 1.00 4.05 C ATOM 1502 CD1 ILE B 242 4.402 -1.983 1.447 1.00 53.02 C ATOM 0 H ILE B 242 4.089 -5.630 0.609 1.00 13.54 H new ATOM 0 HA ILE B 242 3.008 -3.947 2.631 1.00 20.43 H new ATOM 0 HB ILE B 242 2.389 -4.190 -0.343 1.00 32.44 H new ATOM 0 HG12 ILE B 242 4.735 -3.623 0.119 1.00 0.13 H new ATOM 0 HG13 ILE B 242 3.892 -2.270 -0.608 1.00 0.13 H new ATOM 0 HG21 ILE B 242 1.455 -1.907 -0.163 1.00 4.05 H new ATOM 0 HG22 ILE B 242 0.544 -3.076 0.822 1.00 4.05 H new ATOM 0 HG23 ILE B 242 1.688 -1.957 1.601 1.00 4.05 H new ATOM 0 HD11 ILE B 242 5.357 -1.518 1.204 1.00 53.02 H new ATOM 0 HD12 ILE B 242 3.653 -1.209 1.613 1.00 53.02 H new ATOM 0 HD13 ILE B 242 4.510 -2.583 2.351 1.00 53.02 H new ATOM 1514 N ARG B 243 1.100 -6.329 1.392 1.00 74.40 N ATOM 1515 CA ARG B 243 -0.166 -7.059 1.545 1.00 32.22 C ATOM 1516 C ARG B 243 -0.504 -7.308 3.025 1.00 23.40 C ATOM 1517 O ARG B 243 -1.616 -7.038 3.466 1.00 33.33 O ATOM 1518 CB ARG B 243 -0.106 -8.400 0.802 1.00 1.11 C ATOM 1519 CG ARG B 243 -1.454 -9.111 0.711 1.00 0.33 C ATOM 1520 CD ARG B 243 -1.322 -10.506 0.108 1.00 73.12 C ATOM 1521 NE ARG B 243 -0.662 -11.440 1.021 1.00 30.31 N ATOM 1522 CZ ARG B 243 0.031 -12.481 0.639 1.00 63.52 C ATOM 1523 NH1 ARG B 243 0.272 -12.693 -0.613 1.00 12.30 N ATOM 1524 NH2 ARG B 243 0.503 -13.299 1.522 1.00 61.30 N ATOM 0 H ARG B 243 1.770 -6.784 0.772 1.00 74.40 H new ATOM 0 HA ARG B 243 -0.951 -6.438 1.114 1.00 32.22 H new ATOM 0 HB2 ARG B 243 0.274 -8.231 -0.205 1.00 1.11 H new ATOM 0 HB3 ARG B 243 0.606 -9.053 1.306 1.00 1.11 H new ATOM 0 HG2 ARG B 243 -1.893 -9.186 1.706 1.00 0.33 H new ATOM 0 HG3 ARG B 243 -2.138 -8.517 0.105 1.00 0.33 H new ATOM 0 HD2 ARG B 243 -2.312 -10.886 -0.146 1.00 73.12 H new ATOM 0 HD3 ARG B 243 -0.755 -10.447 -0.821 1.00 73.12 H new ATOM 0 HE ARG B 243 -0.748 -11.267 2.023 1.00 30.31 H new ATOM 0 HH11 ARG B 243 -0.080 -12.044 -1.317 1.00 12.30 H new ATOM 0 HH12 ARG B 243 0.814 -13.509 -0.897 1.00 12.30 H new ATOM 0 HH21 ARG B 243 0.334 -13.132 2.514 1.00 61.30 H new ATOM 0 HH22 ARG B 243 1.044 -14.112 1.227 1.00 61.30 H new ATOM 1538 N ARG B 244 0.459 -7.831 3.790 1.00 41.44 N ATOM 1539 CA ARG B 244 0.246 -8.081 5.226 1.00 45.34 C ATOM 1540 C ARG B 244 0.028 -6.770 6.003 1.00 15.00 C ATOM 1541 O ARG B 244 -0.704 -6.741 6.990 1.00 31.30 O ATOM 1542 CB ARG B 244 1.426 -8.864 5.831 1.00 60.34 C ATOM 1543 CG ARG B 244 2.785 -8.207 5.616 1.00 22.41 C ATOM 1544 CD ARG B 244 3.914 -8.979 6.296 1.00 73.40 C ATOM 1545 NE ARG B 244 3.838 -8.909 7.757 1.00 72.41 N ATOM 1546 CZ ARG B 244 4.785 -9.319 8.562 1.00 4.12 C ATOM 1547 NH1 ARG B 244 5.845 -9.891 8.092 1.00 73.21 N ATOM 1548 NH2 ARG B 244 4.658 -9.170 9.841 1.00 5.11 N ATOM 0 H ARG B 244 1.385 -8.088 3.448 1.00 41.44 H new ATOM 0 HA ARG B 244 -0.658 -8.684 5.317 1.00 45.34 H new ATOM 0 HB2 ARG B 244 1.258 -8.984 6.901 1.00 60.34 H new ATOM 0 HB3 ARG B 244 1.445 -9.864 5.397 1.00 60.34 H new ATOM 0 HG2 ARG B 244 2.988 -8.137 4.547 1.00 22.41 H new ATOM 0 HG3 ARG B 244 2.759 -7.188 6.003 1.00 22.41 H new ATOM 0 HD2 ARG B 244 3.877 -10.022 5.983 1.00 73.40 H new ATOM 0 HD3 ARG B 244 4.873 -8.581 5.965 1.00 73.40 H new ATOM 0 HE ARG B 244 2.994 -8.516 8.173 1.00 72.41 H new ATOM 0 HH11 ARG B 244 5.948 -10.026 7.086 1.00 73.21 H new ATOM 0 HH12 ARG B 244 6.578 -10.207 8.727 1.00 73.21 H new ATOM 0 HH21 ARG B 244 3.819 -8.733 10.223 1.00 5.11 H new ATOM 0 HH22 ARG B 244 5.397 -9.490 10.468 1.00 5.11 H new ATOM 1562 N ILE B 245 0.656 -5.686 5.546 1.00 0.14 N ATOM 1563 CA ILE B 245 0.506 -4.374 6.192 1.00 25.11 C ATOM 1564 C ILE B 245 -0.930 -3.833 6.041 1.00 43.32 C ATOM 1565 O ILE B 245 -1.527 -3.349 7.005 1.00 0.43 O ATOM 1566 CB ILE B 245 1.512 -3.337 5.620 1.00 74.05 C ATOM 1567 CG1 ILE B 245 2.956 -3.828 5.824 1.00 22.04 C ATOM 1568 CG2 ILE B 245 1.313 -1.967 6.274 1.00 40.04 C ATOM 1569 CD1 ILE B 245 4.011 -2.892 5.269 1.00 62.44 C ATOM 0 H ILE B 245 1.273 -5.686 4.733 1.00 0.14 H new ATOM 0 HA ILE B 245 0.719 -4.521 7.251 1.00 25.11 H new ATOM 0 HB ILE B 245 1.326 -3.231 4.551 1.00 74.05 H new ATOM 0 HG12 ILE B 245 3.134 -3.968 6.890 1.00 22.04 H new ATOM 0 HG13 ILE B 245 3.067 -4.804 5.352 1.00 22.04 H new ATOM 0 HG21 ILE B 245 2.028 -1.258 5.858 1.00 40.04 H new ATOM 0 HG22 ILE B 245 0.299 -1.616 6.081 1.00 40.04 H new ATOM 0 HG23 ILE B 245 1.469 -2.051 7.349 1.00 40.04 H new ATOM 0 HD11 ILE B 245 5.001 -3.310 5.453 1.00 62.44 H new ATOM 0 HD12 ILE B 245 3.862 -2.771 4.196 1.00 62.44 H new ATOM 0 HD13 ILE B 245 3.930 -1.921 5.758 1.00 62.44 H new ATOM 1581 N ILE B 246 -1.478 -3.920 4.828 1.00 22.22 N ATOM 1582 CA ILE B 246 -2.857 -3.482 4.575 1.00 42.51 C ATOM 1583 C ILE B 246 -3.881 -4.495 5.120 1.00 41.42 C ATOM 1584 O ILE B 246 -4.895 -4.108 5.699 1.00 53.40 O ATOM 1585 CB ILE B 246 -3.120 -3.224 3.063 1.00 70.45 C ATOM 1586 CG1 ILE B 246 -2.879 -4.496 2.231 1.00 51.33 C ATOM 1587 CG2 ILE B 246 -2.247 -2.075 2.559 1.00 42.10 C ATOM 1588 CD1 ILE B 246 -3.166 -4.327 0.752 1.00 35.23 C ATOM 0 H ILE B 246 -0.994 -4.287 4.008 1.00 22.22 H new ATOM 0 HA ILE B 246 -2.982 -2.539 5.107 1.00 42.51 H new ATOM 0 HB ILE B 246 -4.167 -2.943 2.945 1.00 70.45 H new ATOM 0 HG12 ILE B 246 -1.843 -4.809 2.356 1.00 51.33 H new ATOM 0 HG13 ILE B 246 -3.504 -5.298 2.623 1.00 51.33 H new ATOM 0 HG21 ILE B 246 -2.443 -1.907 1.500 1.00 42.10 H new ATOM 0 HG22 ILE B 246 -2.479 -1.169 3.119 1.00 42.10 H new ATOM 0 HG23 ILE B 246 -1.196 -2.328 2.698 1.00 42.10 H new ATOM 0 HD11 ILE B 246 -2.972 -5.266 0.234 1.00 35.23 H new ATOM 0 HD12 ILE B 246 -4.210 -4.045 0.614 1.00 35.23 H new ATOM 0 HD13 ILE B 246 -2.522 -3.548 0.343 1.00 35.23 H new ATOM 1600 N LEU B 247 -3.597 -5.787 4.954 1.00 73.45 N ATOM 1601 CA LEU B 247 -4.467 -6.856 5.469 1.00 44.40 C ATOM 1602 C LEU B 247 -4.716 -6.692 6.976 1.00 61.12 C ATOM 1603 O LEU B 247 -5.864 -6.608 7.427 1.00 10.11 O ATOM 1604 CB LEU B 247 -3.828 -8.226 5.189 1.00 44.24 C ATOM 1605 CG LEU B 247 -4.586 -9.451 5.734 1.00 40.32 C ATOM 1606 CD1 LEU B 247 -5.978 -9.547 5.125 1.00 62.14 C ATOM 1607 CD2 LEU B 247 -3.800 -10.732 5.466 1.00 10.44 C ATOM 0 H LEU B 247 -2.768 -6.124 4.465 1.00 73.45 H new ATOM 0 HA LEU B 247 -5.428 -6.790 4.959 1.00 44.40 H new ATOM 0 HB2 LEU B 247 -3.721 -8.341 4.110 1.00 44.24 H new ATOM 0 HB3 LEU B 247 -2.823 -8.229 5.611 1.00 44.24 H new ATOM 0 HG LEU B 247 -4.693 -9.327 6.812 1.00 40.32 H new ATOM 0 HD11 LEU B 247 -6.491 -10.420 5.527 1.00 62.14 H new ATOM 0 HD12 LEU B 247 -6.545 -8.649 5.369 1.00 62.14 H new ATOM 0 HD13 LEU B 247 -5.896 -9.641 4.042 1.00 62.14 H new ATOM 0 HD21 LEU B 247 -4.352 -11.586 5.858 1.00 10.44 H new ATOM 0 HD22 LEU B 247 -3.658 -10.854 4.392 1.00 10.44 H new ATOM 0 HD23 LEU B 247 -2.828 -10.672 5.956 1.00 10.44 H new ATOM 1619 N ASN B 248 -3.630 -6.615 7.743 1.00 75.21 N ATOM 1620 CA ASN B 248 -3.708 -6.458 9.200 1.00 2.53 C ATOM 1621 C ASN B 248 -4.272 -5.081 9.605 1.00 62.04 C ATOM 1622 O ASN B 248 -4.547 -4.836 10.782 1.00 4.44 O ATOM 1623 CB ASN B 248 -2.317 -6.661 9.815 1.00 45.02 C ATOM 1624 CG ASN B 248 -1.752 -8.048 9.555 1.00 1.03 C ATOM 1625 OD1 ASN B 248 -2.042 -8.686 8.548 1.00 31.13 O ATOM 1626 ND2 ASN B 248 -0.919 -8.523 10.457 1.00 23.00 N ATOM 0 H ASN B 248 -2.678 -6.659 7.379 1.00 75.21 H new ATOM 0 HA ASN B 248 -4.395 -7.214 9.581 1.00 2.53 H new ATOM 0 HB2 ASN B 248 -1.634 -5.914 9.410 1.00 45.02 H new ATOM 0 HB3 ASN B 248 -2.373 -6.493 10.890 1.00 45.02 H new ATOM 0 HD21 ASN B 248 -0.497 -9.443 10.328 1.00 23.00 H new ATOM 0 HD22 ASN B 248 -0.695 -7.971 11.285 1.00 23.00 H new ATOM 1633 N HIS B 249 -4.440 -4.188 8.628 1.00 61.40 N ATOM 1634 CA HIS B 249 -4.984 -2.846 8.875 1.00 62.23 C ATOM 1635 C HIS B 249 -6.504 -2.796 8.617 1.00 25.42 C ATOM 1636 O HIS B 249 -7.262 -2.279 9.437 1.00 54.04 O ATOM 1637 CB HIS B 249 -4.260 -1.822 7.988 1.00 12.14 C ATOM 1638 CG HIS B 249 -4.695 -0.400 8.202 1.00 70.53 C ATOM 1639 ND1 HIS B 249 -4.064 0.454 9.076 1.00 51.12 N ATOM 1640 CD2 HIS B 249 -5.688 0.324 7.632 1.00 60.41 C ATOM 1641 CE1 HIS B 249 -4.643 1.636 9.032 1.00 55.51 C ATOM 1642 NE2 HIS B 249 -5.632 1.588 8.164 1.00 44.40 N ATOM 0 H HIS B 249 -4.206 -4.369 7.652 1.00 61.40 H new ATOM 0 HA HIS B 249 -4.819 -2.600 9.924 1.00 62.23 H new ATOM 0 HB2 HIS B 249 -3.188 -1.893 8.172 1.00 12.14 H new ATOM 0 HB3 HIS B 249 -4.422 -2.086 6.943 1.00 12.14 H new ATOM 0 HD2 HIS B 249 -6.394 -0.029 6.895 1.00 60.41 H new ATOM 0 HE1 HIS B 249 -4.355 2.501 9.611 1.00 55.51 H new ATOM 0 HE2 HIS B 249 -6.253 2.361 7.927 1.00 44.40 H new ATOM 1651 N LEU B 250 -6.942 -3.339 7.479 1.00 24.22 N ATOM 1652 CA LEU B 250 -8.368 -3.326 7.105 1.00 41.50 C ATOM 1653 C LEU B 250 -9.227 -4.148 8.081 1.00 12.31 C ATOM 1654 O LEU B 250 -10.440 -3.933 8.186 1.00 74.44 O ATOM 1655 CB LEU B 250 -8.561 -3.842 5.663 1.00 14.45 C ATOM 1656 CG LEU B 250 -8.379 -2.795 4.543 1.00 40.41 C ATOM 1657 CD1 LEU B 250 -9.421 -1.684 4.665 1.00 13.40 C ATOM 1658 CD2 LEU B 250 -6.966 -2.207 4.553 1.00 64.35 C ATOM 0 H LEU B 250 -6.335 -3.794 6.798 1.00 24.22 H new ATOM 0 HA LEU B 250 -8.703 -2.290 7.159 1.00 41.50 H new ATOM 0 HB2 LEU B 250 -7.856 -4.656 5.491 1.00 14.45 H new ATOM 0 HB3 LEU B 250 -9.562 -4.265 5.580 1.00 14.45 H new ATOM 0 HG LEU B 250 -8.524 -3.304 3.590 1.00 40.41 H new ATOM 0 HD11 LEU B 250 -9.274 -0.958 3.866 1.00 13.40 H new ATOM 0 HD12 LEU B 250 -10.420 -2.112 4.587 1.00 13.40 H new ATOM 0 HD13 LEU B 250 -9.313 -1.189 5.630 1.00 13.40 H new ATOM 0 HD21 LEU B 250 -6.871 -1.474 3.752 1.00 64.35 H new ATOM 0 HD22 LEU B 250 -6.780 -1.723 5.512 1.00 64.35 H new ATOM 0 HD23 LEU B 250 -6.239 -3.005 4.402 1.00 64.35 H new ATOM 1670 N GLU B 251 -8.599 -5.086 8.791 1.00 34.42 N ATOM 1671 CA GLU B 251 -9.292 -5.879 9.817 1.00 23.54 C ATOM 1672 C GLU B 251 -9.389 -5.117 11.153 1.00 21.14 C ATOM 1673 O GLU B 251 -9.871 -5.657 12.153 1.00 11.23 O ATOM 1674 CB GLU B 251 -8.570 -7.217 10.044 1.00 75.50 C ATOM 1675 CG GLU B 251 -7.138 -7.066 10.548 1.00 54.31 C ATOM 1676 CD GLU B 251 -6.506 -8.393 10.944 1.00 10.31 C ATOM 1677 OE1 GLU B 251 -6.690 -8.819 12.105 1.00 35.31 O ATOM 1678 OE2 GLU B 251 -5.825 -9.017 10.104 1.00 25.24 O ATOM 0 H GLU B 251 -7.612 -5.318 8.677 1.00 34.42 H new ATOM 0 HA GLU B 251 -10.302 -6.067 9.453 1.00 23.54 H new ATOM 0 HB2 GLU B 251 -9.138 -7.808 10.762 1.00 75.50 H new ATOM 0 HB3 GLU B 251 -8.559 -7.777 9.109 1.00 75.50 H new ATOM 0 HG2 GLU B 251 -6.532 -6.598 9.772 1.00 54.31 H new ATOM 0 HG3 GLU B 251 -7.129 -6.395 11.407 1.00 54.31 H new ATOM 1685 N ASP B 252 -8.933 -3.864 11.161 1.00 64.24 N ATOM 1686 CA ASP B 252 -8.930 -3.042 12.376 1.00 14.32 C ATOM 1687 C ASP B 252 -9.632 -1.689 12.129 1.00 44.10 C ATOM 1688 O ASP B 252 -10.773 -1.483 12.555 1.00 71.43 O ATOM 1689 CB ASP B 252 -7.481 -2.833 12.841 1.00 60.51 C ATOM 1690 CG ASP B 252 -7.382 -2.215 14.224 1.00 24.15 C ATOM 1691 OD1 ASP B 252 -7.381 -2.971 15.219 1.00 42.22 O ATOM 1692 OD2 ASP B 252 -7.292 -0.972 14.327 1.00 32.00 O ATOM 0 H ASP B 252 -8.559 -3.393 10.337 1.00 64.24 H new ATOM 0 HA ASP B 252 -9.486 -3.558 13.159 1.00 14.32 H new ATOM 0 HB2 ASP B 252 -6.964 -3.792 12.841 1.00 60.51 H new ATOM 0 HB3 ASP B 252 -6.965 -2.192 12.126 1.00 60.51 H new ATOM 1697 N GLU B 253 -8.945 -0.782 11.422 1.00 31.33 N ATOM 1698 CA GLU B 253 -9.477 0.562 11.099 1.00 0.12 C ATOM 1699 C GLU B 253 -8.745 1.179 9.886 1.00 1.22 C ATOM 1700 O GLU B 253 -9.339 1.240 8.781 1.00 38.70 O ATOM 1701 CB GLU B 253 -9.362 1.510 12.313 1.00 34.14 C ATOM 1702 CG GLU B 253 -10.587 1.520 13.226 1.00 62.54 C ATOM 1703 CD GLU B 253 -11.833 2.060 12.536 1.00 0.40 C ATOM 1704 OE1 GLU B 253 -11.889 3.276 12.263 1.00 33.21 O ATOM 1705 OE2 GLU B 253 -12.765 1.272 12.260 1.00 62.01 O ATOM 1706 OXT GLU B 253 -7.578 1.598 10.046 1.00 38.70 O ATOM 0 H GLU B 253 -8.008 -0.952 11.056 1.00 31.33 H new ATOM 0 HA GLU B 253 -10.530 0.439 10.845 1.00 0.12 H new ATOM 0 HB2 GLU B 253 -8.489 1.224 12.900 1.00 34.14 H new ATOM 0 HB3 GLU B 253 -9.185 2.523 11.952 1.00 34.14 H new ATOM 0 HG2 GLU B 253 -10.782 0.506 13.576 1.00 62.54 H new ATOM 0 HG3 GLU B 253 -10.373 2.126 14.106 1.00 62.54 H new