USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 559 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 33 MET CE :methyl -159:sc= -0.032 (180deg=-0.83) USER MOD Set 1.2: A 52 HIS : no HD1:sc= -2.86! X(o=-2.9!,f=-3.3) USER MOD Single : A 14 TYR OH : rot -90:sc= 0.515 USER MOD Single : A 15 SER OG : rot -25:sc= 0.0589 USER MOD Single : A 18 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0168) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl -158:sc= -0.252 (180deg=-0.911) USER MOD Single : A 23 LYS NZ :NH3+ -164:sc= -0.0519 (180deg=-0.343) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -1.59! K(o=-1.6!,f=-3.2) USER MOD Single : A 29 CYS SG : rot 180:sc= -3.32! USER MOD Single : A 32 LYS NZ :NH3+ -166:sc= -0.0578 (180deg=-0.299) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0158 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.00834 USER MOD Single : A 39 LYS NZ :NH3+ 163:sc= -0.0966 (180deg=-0.414) USER MOD Single : A 40 SER OG : rot 0:sc= 1.26 USER MOD Single : A 42 SER OG : rot -160:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 49 HIS : no HE2:sc= -0.315 X(o=-0.32,f=-0.56) USER MOD Single : A 50 CYS SG : rot 88:sc= -1.39 USER MOD Single : A 54 LYS NZ :NH3+ -175:sc= -0.236 (180deg=-0.253) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 176:sc= -1.23! USER MOD Single : A 59 LYS NZ :NH3+ -116:sc= 0.0444 (180deg=-0.364) USER MOD Single : A 63 LYS NZ :NH3+ -159:sc= -0.116 (180deg=-0.513) USER MOD Single : A 65 TYR OH : rot 36:sc= 1.21 USER MOD Single : A 66 ASN : amide:sc= 1.08 K(o=1.1,f=-0.13) USER MOD Single : A 69 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 176 N ILE A 12 2.215 5.476 5.540 1.00 3.31 N ATOM 177 CA ILE A 12 0.958 5.673 4.869 1.00 3.05 C ATOM 178 C ILE A 12 -0.152 5.260 5.797 1.00 53.05 C ATOM 179 O ILE A 12 0.039 4.373 6.640 1.00 72.32 O ATOM 180 CB ILE A 12 0.895 4.820 3.566 1.00 62.21 C ATOM 181 CG1 ILE A 12 2.087 5.157 2.667 1.00 30.11 C ATOM 182 CG2 ILE A 12 -0.408 5.071 2.811 1.00 53.15 C ATOM 183 CD1 ILE A 12 2.151 4.345 1.402 1.00 10.32 C ATOM 0 HA ILE A 12 0.853 6.724 4.598 1.00 3.05 H new ATOM 0 HB ILE A 12 0.934 3.767 3.844 1.00 62.21 H new ATOM 0 HG12 ILE A 12 2.044 6.214 2.406 1.00 30.11 H new ATOM 0 HG13 ILE A 12 3.008 5.005 3.230 1.00 30.11 H new ATOM 0 HG21 ILE A 12 -0.427 4.464 1.906 1.00 53.15 H new ATOM 0 HG22 ILE A 12 -1.253 4.803 3.445 1.00 53.15 H new ATOM 0 HG23 ILE A 12 -0.475 6.125 2.542 1.00 53.15 H new ATOM 0 HD11 ILE A 12 3.023 4.644 0.821 1.00 10.32 H new ATOM 0 HD12 ILE A 12 2.227 3.287 1.652 1.00 10.32 H new ATOM 0 HD13 ILE A 12 1.249 4.515 0.815 1.00 10.32 H new ATOM 195 N ARG A 13 -1.268 5.928 5.712 1.00 13.23 N ATOM 196 CA ARG A 13 -2.412 5.543 6.464 1.00 44.43 C ATOM 197 C ARG A 13 -3.454 5.004 5.516 1.00 60.15 C ATOM 198 O ARG A 13 -3.376 5.228 4.308 1.00 31.22 O ATOM 199 CB ARG A 13 -2.990 6.682 7.311 1.00 1.12 C ATOM 200 CG ARG A 13 -2.116 7.172 8.473 1.00 1.11 C ATOM 201 CD ARG A 13 -0.838 7.858 8.029 1.00 15.14 C ATOM 202 NE ARG A 13 0.003 8.243 9.172 1.00 64.21 N ATOM 203 CZ ARG A 13 1.099 9.004 9.087 1.00 3.41 C ATOM 204 NH1 ARG A 13 1.480 9.501 7.911 1.00 42.12 N ATOM 205 NH2 ARG A 13 1.813 9.274 10.180 1.00 24.13 N ATOM 0 H ARG A 13 -1.403 6.749 5.121 1.00 13.23 H new ATOM 0 HA ARG A 13 -2.103 4.774 7.172 1.00 44.43 H new ATOM 0 HB2 ARG A 13 -3.193 7.528 6.655 1.00 1.12 H new ATOM 0 HB3 ARG A 13 -3.948 6.356 7.716 1.00 1.12 H new ATOM 0 HG2 ARG A 13 -2.695 7.864 9.085 1.00 1.11 H new ATOM 0 HG3 ARG A 13 -1.861 6.323 9.107 1.00 1.11 H new ATOM 0 HD2 ARG A 13 -0.277 7.192 7.374 1.00 15.14 H new ATOM 0 HD3 ARG A 13 -1.086 8.745 7.446 1.00 15.14 H new ATOM 0 HE ARG A 13 -0.269 7.906 10.095 1.00 64.21 H new ATOM 0 HH11 ARG A 13 0.935 9.301 7.072 1.00 42.12 H new ATOM 0 HH12 ARG A 13 2.317 10.081 7.849 1.00 42.12 H new ATOM 0 HH21 ARG A 13 1.524 8.900 11.084 1.00 24.13 H new ATOM 0 HH22 ARG A 13 2.649 9.855 10.113 1.00 24.13 H new ATOM 219 N TYR A 14 -4.434 4.331 6.047 1.00 14.30 N ATOM 220 CA TYR A 14 -5.445 3.675 5.233 1.00 60.44 C ATOM 221 C TYR A 14 -6.339 4.708 4.557 1.00 54.32 C ATOM 222 O TYR A 14 -6.915 4.464 3.494 1.00 14.24 O ATOM 223 CB TYR A 14 -6.251 2.712 6.096 1.00 23.44 C ATOM 224 CG TYR A 14 -5.361 1.766 6.872 1.00 34.01 C ATOM 225 CD1 TYR A 14 -4.687 0.732 6.236 1.00 22.32 C ATOM 226 CD2 TYR A 14 -5.172 1.925 8.243 1.00 12.10 C ATOM 227 CE1 TYR A 14 -3.857 -0.106 6.937 1.00 73.23 C ATOM 228 CE2 TYR A 14 -4.340 1.084 8.949 1.00 34.23 C ATOM 229 CZ TYR A 14 -3.682 0.071 8.291 1.00 12.00 C ATOM 230 OH TYR A 14 -2.842 -0.772 8.989 1.00 41.04 O ATOM 0 H TYR A 14 -4.564 4.215 7.052 1.00 14.30 H new ATOM 0 HA TYR A 14 -4.959 3.101 4.444 1.00 60.44 H new ATOM 0 HB2 TYR A 14 -6.870 3.279 6.791 1.00 23.44 H new ATOM 0 HB3 TYR A 14 -6.927 2.137 5.463 1.00 23.44 H new ATOM 0 HD1 TYR A 14 -4.818 0.585 5.174 1.00 22.32 H new ATOM 0 HD2 TYR A 14 -5.686 2.721 8.761 1.00 12.10 H new ATOM 0 HE1 TYR A 14 -3.341 -0.905 6.426 1.00 73.23 H new ATOM 0 HE2 TYR A 14 -4.205 1.219 10.012 1.00 34.23 H new ATOM 0 HH TYR A 14 -3.352 -1.539 9.323 1.00 41.04 H new ATOM 240 N SER A 15 -6.411 5.870 5.166 1.00 30.05 N ATOM 241 CA SER A 15 -7.169 6.980 4.653 1.00 30.41 C ATOM 242 C SER A 15 -6.494 7.594 3.395 1.00 13.21 C ATOM 243 O SER A 15 -7.139 8.313 2.622 1.00 22.53 O ATOM 244 CB SER A 15 -7.282 8.029 5.740 1.00 43.20 C ATOM 245 OG SER A 15 -7.887 7.479 6.911 1.00 73.05 O ATOM 0 H SER A 15 -5.935 6.070 6.046 1.00 30.05 H new ATOM 0 HA SER A 15 -8.157 6.628 4.358 1.00 30.41 H new ATOM 0 HB2 SER A 15 -6.292 8.416 5.983 1.00 43.20 H new ATOM 0 HB3 SER A 15 -7.874 8.871 5.380 1.00 43.20 H new ATOM 0 HG SER A 15 -8.446 6.713 6.662 1.00 73.05 H new ATOM 251 N ASP A 16 -5.207 7.283 3.176 1.00 25.25 N ATOM 252 CA ASP A 16 -4.463 7.814 2.012 1.00 51.32 C ATOM 253 C ASP A 16 -4.728 6.973 0.804 1.00 41.44 C ATOM 254 O ASP A 16 -4.658 7.446 -0.320 1.00 55.34 O ATOM 255 CB ASP A 16 -2.920 7.756 2.218 1.00 43.22 C ATOM 256 CG ASP A 16 -2.329 8.702 3.230 1.00 40.54 C ATOM 257 OD1 ASP A 16 -2.301 8.372 4.440 1.00 53.02 O ATOM 258 OD2 ASP A 16 -1.823 9.775 2.825 1.00 14.11 O ATOM 0 H ASP A 16 -4.659 6.672 3.782 1.00 25.25 H new ATOM 0 HA ASP A 16 -4.797 8.845 1.893 1.00 51.32 H new ATOM 0 HB2 ASP A 16 -2.655 6.740 2.509 1.00 43.22 H new ATOM 0 HB3 ASP A 16 -2.443 7.947 1.257 1.00 43.22 H new ATOM 263 N VAL A 17 -5.048 5.734 1.039 1.00 11.14 N ATOM 264 CA VAL A 17 -5.103 4.761 -0.034 1.00 33.22 C ATOM 265 C VAL A 17 -6.459 4.717 -0.724 1.00 52.32 C ATOM 266 O VAL A 17 -7.496 4.519 -0.078 1.00 64.13 O ATOM 267 CB VAL A 17 -4.776 3.334 0.478 1.00 32.00 C ATOM 268 CG1 VAL A 17 -4.570 2.357 -0.668 1.00 21.12 C ATOM 269 CG2 VAL A 17 -3.614 3.319 1.457 1.00 13.13 C ATOM 0 H VAL A 17 -5.277 5.365 1.962 1.00 11.14 H new ATOM 0 HA VAL A 17 -4.353 5.086 -0.755 1.00 33.22 H new ATOM 0 HB VAL A 17 -5.649 2.995 1.035 1.00 32.00 H new ATOM 0 HG11 VAL A 17 -4.343 1.369 -0.267 1.00 21.12 H new ATOM 0 HG12 VAL A 17 -5.478 2.305 -1.269 1.00 21.12 H new ATOM 0 HG13 VAL A 17 -3.741 2.695 -1.290 1.00 21.12 H new ATOM 0 HG21 VAL A 17 -3.427 2.296 1.784 1.00 13.13 H new ATOM 0 HG22 VAL A 17 -2.722 3.713 0.969 1.00 13.13 H new ATOM 0 HG23 VAL A 17 -3.858 3.937 2.321 1.00 13.13 H new ATOM 279 N LYS A 18 -6.453 4.915 -2.023 1.00 31.23 N ATOM 280 CA LYS A 18 -7.659 4.689 -2.843 1.00 34.20 C ATOM 281 C LYS A 18 -7.640 3.327 -3.456 1.00 2.23 C ATOM 282 O LYS A 18 -8.678 2.695 -3.645 1.00 52.24 O ATOM 283 CB LYS A 18 -7.791 5.679 -3.977 1.00 72.11 C ATOM 284 CG LYS A 18 -8.264 7.040 -3.587 1.00 4.22 C ATOM 285 CD LYS A 18 -8.388 7.958 -4.809 1.00 13.44 C ATOM 286 CE LYS A 18 -9.307 7.381 -5.888 1.00 22.24 C ATOM 287 NZ LYS A 18 -10.678 7.116 -5.394 1.00 61.52 N ATOM 0 H LYS A 18 -5.638 5.231 -2.548 1.00 31.23 H new ATOM 0 HA LYS A 18 -8.499 4.806 -2.158 1.00 34.20 H new ATOM 0 HB2 LYS A 18 -6.822 5.776 -4.467 1.00 72.11 H new ATOM 0 HB3 LYS A 18 -8.481 5.271 -4.715 1.00 72.11 H new ATOM 0 HG2 LYS A 18 -9.230 6.963 -3.088 1.00 4.22 H new ATOM 0 HG3 LYS A 18 -7.569 7.477 -2.870 1.00 4.22 H new ATOM 0 HD2 LYS A 18 -8.770 8.928 -4.492 1.00 13.44 H new ATOM 0 HD3 LYS A 18 -7.398 8.128 -5.233 1.00 13.44 H new ATOM 0 HE2 LYS A 18 -9.356 8.076 -6.726 1.00 22.24 H new ATOM 0 HE3 LYS A 18 -8.877 6.454 -6.267 1.00 22.24 H new ATOM 0 HZ1 LYS A 18 -11.274 6.791 -6.182 1.00 61.52 H new ATOM 0 HZ2 LYS A 18 -10.646 6.382 -4.658 1.00 61.52 H new ATOM 0 HZ3 LYS A 18 -11.078 7.989 -4.995 1.00 61.52 H new ATOM 301 N LYS A 19 -6.468 2.884 -3.750 1.00 13.00 N ATOM 302 CA LYS A 19 -6.269 1.684 -4.467 1.00 22.20 C ATOM 303 C LYS A 19 -4.964 1.099 -4.044 1.00 34.44 C ATOM 304 O LYS A 19 -3.973 1.831 -3.864 1.00 63.11 O ATOM 305 CB LYS A 19 -6.234 1.992 -5.964 1.00 62.14 C ATOM 306 CG LYS A 19 -6.079 0.775 -6.849 1.00 73.12 C ATOM 307 CD LYS A 19 -5.970 1.152 -8.321 1.00 54.33 C ATOM 308 CE LYS A 19 -7.208 1.876 -8.815 1.00 12.51 C ATOM 309 NZ LYS A 19 -7.090 2.272 -10.237 1.00 31.13 N ATOM 0 H LYS A 19 -5.604 3.361 -3.490 1.00 13.00 H new ATOM 0 HA LYS A 19 -7.077 0.980 -4.267 1.00 22.20 H new ATOM 0 HB2 LYS A 19 -7.153 2.510 -6.237 1.00 62.14 H new ATOM 0 HB3 LYS A 19 -5.410 2.678 -6.162 1.00 62.14 H new ATOM 0 HG2 LYS A 19 -5.190 0.220 -6.550 1.00 73.12 H new ATOM 0 HG3 LYS A 19 -6.932 0.112 -6.707 1.00 73.12 H new ATOM 0 HD2 LYS A 19 -5.096 1.786 -8.469 1.00 54.33 H new ATOM 0 HD3 LYS A 19 -5.815 0.252 -8.915 1.00 54.33 H new ATOM 0 HE2 LYS A 19 -8.079 1.232 -8.689 1.00 12.51 H new ATOM 0 HE3 LYS A 19 -7.377 2.763 -8.205 1.00 12.51 H new ATOM 0 HZ1 LYS A 19 -7.957 2.764 -10.534 1.00 31.13 H new ATOM 0 HZ2 LYS A 19 -6.275 2.907 -10.354 1.00 31.13 H new ATOM 0 HZ3 LYS A 19 -6.955 1.424 -10.824 1.00 31.13 H new ATOM 323 N LEU A 20 -4.955 -0.173 -3.870 1.00 42.04 N ATOM 324 CA LEU A 20 -3.783 -0.870 -3.477 1.00 30.34 C ATOM 325 C LEU A 20 -3.581 -1.957 -4.520 1.00 62.41 C ATOM 326 O LEU A 20 -4.466 -2.802 -4.721 1.00 2.54 O ATOM 327 CB LEU A 20 -4.045 -1.457 -2.059 1.00 70.54 C ATOM 328 CG LEU A 20 -2.870 -2.053 -1.252 1.00 23.03 C ATOM 329 CD1 LEU A 20 -3.356 -2.401 0.153 1.00 31.13 C ATOM 330 CD2 LEU A 20 -2.293 -3.302 -1.911 1.00 2.00 C ATOM 0 H LEU A 20 -5.773 -0.768 -3.998 1.00 42.04 H new ATOM 0 HA LEU A 20 -2.890 -0.247 -3.423 1.00 30.34 H new ATOM 0 HB2 LEU A 20 -4.488 -0.665 -1.455 1.00 70.54 H new ATOM 0 HB3 LEU A 20 -4.799 -2.238 -2.163 1.00 70.54 H new ATOM 0 HG LEU A 20 -2.078 -1.306 -1.213 1.00 23.03 H new ATOM 0 HD11 LEU A 20 -2.532 -2.822 0.729 1.00 31.13 H new ATOM 0 HD12 LEU A 20 -3.720 -1.499 0.646 1.00 31.13 H new ATOM 0 HD13 LEU A 20 -4.164 -3.130 0.088 1.00 31.13 H new ATOM 0 HD21 LEU A 20 -1.470 -3.685 -1.307 1.00 2.00 H new ATOM 0 HD22 LEU A 20 -3.069 -4.063 -1.990 1.00 2.00 H new ATOM 0 HD23 LEU A 20 -1.927 -3.052 -2.907 1.00 2.00 H new ATOM 342 N GLU A 21 -2.451 -1.937 -5.176 1.00 43.34 N ATOM 343 CA GLU A 21 -2.156 -2.894 -6.215 1.00 70.43 C ATOM 344 C GLU A 21 -0.901 -3.604 -5.851 1.00 44.45 C ATOM 345 O GLU A 21 0.042 -2.985 -5.380 1.00 23.01 O ATOM 346 CB GLU A 21 -1.967 -2.197 -7.567 1.00 72.52 C ATOM 347 CG GLU A 21 -3.162 -1.391 -8.034 1.00 13.34 C ATOM 348 CD GLU A 21 -2.935 -0.768 -9.380 1.00 52.31 C ATOM 349 OE1 GLU A 21 -2.420 0.360 -9.449 1.00 11.54 O ATOM 350 OE2 GLU A 21 -3.272 -1.407 -10.401 1.00 4.11 O ATOM 0 H GLU A 21 -1.708 -1.259 -5.007 1.00 43.34 H new ATOM 0 HA GLU A 21 -2.988 -3.593 -6.305 1.00 70.43 H new ATOM 0 HB2 GLU A 21 -1.103 -1.536 -7.502 1.00 72.52 H new ATOM 0 HB3 GLU A 21 -1.737 -2.950 -8.320 1.00 72.52 H new ATOM 0 HG2 GLU A 21 -4.039 -2.037 -8.078 1.00 13.34 H new ATOM 0 HG3 GLU A 21 -3.378 -0.609 -7.306 1.00 13.34 H new ATOM 357 N MET A 22 -0.868 -4.879 -6.013 1.00 52.44 N ATOM 358 CA MET A 22 0.320 -5.574 -5.668 1.00 11.53 C ATOM 359 C MET A 22 1.059 -6.029 -6.930 1.00 73.14 C ATOM 360 O MET A 22 0.601 -6.922 -7.656 1.00 2.33 O ATOM 361 CB MET A 22 -0.047 -6.739 -4.739 1.00 24.41 C ATOM 362 CG MET A 22 1.120 -7.532 -4.196 1.00 64.42 C ATOM 363 SD MET A 22 0.607 -8.788 -3.004 1.00 65.13 S ATOM 364 CE MET A 22 -0.097 -7.759 -1.707 1.00 41.34 C ATOM 0 H MET A 22 -1.631 -5.452 -6.374 1.00 52.44 H new ATOM 0 HA MET A 22 1.007 -4.918 -5.134 1.00 11.53 H new ATOM 0 HB2 MET A 22 -0.618 -6.344 -3.898 1.00 24.41 H new ATOM 0 HB3 MET A 22 -0.705 -7.419 -5.280 1.00 24.41 H new ATOM 0 HG2 MET A 22 1.645 -8.012 -5.022 1.00 64.42 H new ATOM 0 HG3 MET A 22 1.828 -6.852 -3.721 1.00 64.42 H new ATOM 0 HE1 MET A 22 -0.099 -8.310 -0.766 1.00 41.34 H new ATOM 0 HE2 MET A 22 0.500 -6.854 -1.597 1.00 41.34 H new ATOM 0 HE3 MET A 22 -1.120 -7.489 -1.971 1.00 41.34 H new ATOM 374 N LYS A 23 2.195 -5.393 -7.179 1.00 41.30 N ATOM 375 CA LYS A 23 3.095 -5.698 -8.282 1.00 2.41 C ATOM 376 C LYS A 23 4.491 -5.125 -7.993 1.00 30.04 C ATOM 377 O LYS A 23 4.594 -4.070 -7.395 1.00 13.20 O ATOM 378 CB LYS A 23 2.492 -5.358 -9.694 1.00 30.21 C ATOM 379 CG LYS A 23 1.963 -3.935 -9.940 1.00 4.24 C ATOM 380 CD LYS A 23 3.053 -2.887 -10.028 1.00 62.12 C ATOM 381 CE LYS A 23 2.464 -1.518 -10.369 1.00 34.44 C ATOM 382 NZ LYS A 23 1.805 -1.493 -11.695 1.00 52.10 N ATOM 0 H LYS A 23 2.527 -4.623 -6.598 1.00 41.30 H new ATOM 0 HA LYS A 23 3.221 -6.779 -8.347 1.00 2.41 H new ATOM 0 HB2 LYS A 23 3.260 -5.560 -10.440 1.00 30.21 H new ATOM 0 HB3 LYS A 23 1.674 -6.053 -9.882 1.00 30.21 H new ATOM 0 HG2 LYS A 23 1.387 -3.926 -10.865 1.00 4.24 H new ATOM 0 HG3 LYS A 23 1.278 -3.667 -9.135 1.00 4.24 H new ATOM 0 HD2 LYS A 23 3.588 -2.832 -9.080 1.00 62.12 H new ATOM 0 HD3 LYS A 23 3.780 -3.175 -10.788 1.00 62.12 H new ATOM 0 HE2 LYS A 23 1.741 -1.237 -9.603 1.00 34.44 H new ATOM 0 HE3 LYS A 23 3.257 -0.770 -10.348 1.00 34.44 H new ATOM 0 HZ1 LYS A 23 1.666 -0.507 -11.995 1.00 52.10 H new ATOM 0 HZ2 LYS A 23 2.403 -1.986 -12.389 1.00 52.10 H new ATOM 0 HZ3 LYS A 23 0.882 -1.969 -11.633 1.00 52.10 H new ATOM 396 N PRO A 24 5.582 -5.798 -8.409 1.00 63.35 N ATOM 397 CA PRO A 24 6.958 -5.430 -7.997 1.00 31.14 C ATOM 398 C PRO A 24 7.563 -4.209 -8.668 1.00 1.25 C ATOM 399 O PRO A 24 8.738 -3.916 -8.432 1.00 31.20 O ATOM 400 CB PRO A 24 7.760 -6.659 -8.390 1.00 12.22 C ATOM 401 CG PRO A 24 7.052 -7.184 -9.581 1.00 4.15 C ATOM 402 CD PRO A 24 5.594 -6.967 -9.315 1.00 52.42 C ATOM 0 HA PRO A 24 6.960 -5.157 -6.942 1.00 31.14 H new ATOM 0 HB2 PRO A 24 8.794 -6.404 -8.621 1.00 12.22 H new ATOM 0 HB3 PRO A 24 7.785 -7.393 -7.585 1.00 12.22 H new ATOM 0 HG2 PRO A 24 7.367 -6.663 -10.485 1.00 4.15 H new ATOM 0 HG3 PRO A 24 7.269 -8.242 -9.731 1.00 4.15 H new ATOM 0 HD2 PRO A 24 5.043 -6.769 -10.234 1.00 52.42 H new ATOM 0 HD3 PRO A 24 5.136 -7.840 -8.851 1.00 52.42 H new ATOM 410 N LYS A 25 6.775 -3.490 -9.477 1.00 24.15 N ATOM 411 CA LYS A 25 7.287 -2.377 -10.306 1.00 71.13 C ATOM 412 C LYS A 25 8.201 -2.912 -11.420 1.00 60.33 C ATOM 413 O LYS A 25 7.908 -2.768 -12.605 1.00 62.30 O ATOM 414 CB LYS A 25 8.017 -1.283 -9.480 1.00 53.22 C ATOM 415 CG LYS A 25 7.111 -0.341 -8.731 1.00 44.34 C ATOM 416 CD LYS A 25 6.486 0.620 -9.717 1.00 61.20 C ATOM 417 CE LYS A 25 5.490 1.558 -9.070 1.00 11.04 C ATOM 418 NZ LYS A 25 4.960 2.548 -10.028 1.00 0.31 N ATOM 0 H LYS A 25 5.774 -3.656 -9.579 1.00 24.15 H new ATOM 0 HA LYS A 25 6.416 -1.897 -10.752 1.00 71.13 H new ATOM 0 HB2 LYS A 25 8.680 -1.770 -8.765 1.00 53.22 H new ATOM 0 HB3 LYS A 25 8.646 -0.700 -10.153 1.00 53.22 H new ATOM 0 HG2 LYS A 25 6.336 -0.900 -8.206 1.00 44.34 H new ATOM 0 HG3 LYS A 25 7.676 0.206 -7.977 1.00 44.34 H new ATOM 0 HD2 LYS A 25 7.272 1.205 -10.195 1.00 61.20 H new ATOM 0 HD3 LYS A 25 5.987 0.053 -10.503 1.00 61.20 H new ATOM 0 HE2 LYS A 25 4.666 0.980 -8.653 1.00 11.04 H new ATOM 0 HE3 LYS A 25 5.968 2.077 -8.239 1.00 11.04 H new ATOM 0 HZ1 LYS A 25 4.282 3.171 -9.544 1.00 0.31 H new ATOM 0 HZ2 LYS A 25 5.743 3.118 -10.407 1.00 0.31 H new ATOM 0 HZ3 LYS A 25 4.481 2.054 -10.808 1.00 0.31 H new ATOM 432 N TYR A 26 9.285 -3.543 -11.021 1.00 73.34 N ATOM 433 CA TYR A 26 10.233 -4.132 -11.924 1.00 63.25 C ATOM 434 C TYR A 26 10.290 -5.631 -11.700 1.00 33.22 C ATOM 435 O TYR A 26 10.302 -6.079 -10.561 1.00 22.31 O ATOM 436 CB TYR A 26 11.624 -3.514 -11.723 1.00 50.03 C ATOM 437 CG TYR A 26 11.754 -2.109 -12.237 1.00 64.12 C ATOM 438 CD1 TYR A 26 11.295 -1.023 -11.509 1.00 4.33 C ATOM 439 CD2 TYR A 26 12.329 -1.881 -13.472 1.00 23.20 C ATOM 440 CE1 TYR A 26 11.411 0.261 -11.998 1.00 41.51 C ATOM 441 CE2 TYR A 26 12.450 -0.603 -13.975 1.00 72.51 C ATOM 442 CZ TYR A 26 11.992 0.464 -13.233 1.00 65.14 C ATOM 443 OH TYR A 26 12.103 1.744 -13.732 1.00 24.41 O ATOM 0 H TYR A 26 9.531 -3.660 -10.038 1.00 73.34 H new ATOM 0 HA TYR A 26 9.914 -3.934 -12.947 1.00 63.25 H new ATOM 0 HB2 TYR A 26 11.863 -3.523 -10.660 1.00 50.03 H new ATOM 0 HB3 TYR A 26 12.363 -4.141 -12.221 1.00 50.03 H new ATOM 0 HD1 TYR A 26 10.839 -1.185 -10.543 1.00 4.33 H new ATOM 0 HD2 TYR A 26 12.690 -2.717 -14.053 1.00 23.20 H new ATOM 0 HE1 TYR A 26 11.051 1.099 -11.420 1.00 41.51 H new ATOM 0 HE2 TYR A 26 12.900 -0.439 -14.943 1.00 72.51 H new ATOM 0 HH TYR A 26 12.536 1.716 -14.611 1.00 24.41 H new ATOM 453 N PRO A 27 10.332 -6.436 -12.780 1.00 34.14 N ATOM 454 CA PRO A 27 10.410 -7.915 -12.678 1.00 24.45 C ATOM 455 C PRO A 27 11.696 -8.395 -11.984 1.00 75.23 C ATOM 456 O PRO A 27 11.810 -9.545 -11.599 1.00 35.32 O ATOM 457 CB PRO A 27 10.406 -8.378 -14.144 1.00 34.30 C ATOM 458 CG PRO A 27 9.834 -7.237 -14.910 1.00 11.13 C ATOM 459 CD PRO A 27 10.260 -5.996 -14.188 1.00 75.10 C ATOM 0 HA PRO A 27 9.592 -8.316 -12.080 1.00 24.45 H new ATOM 0 HB2 PRO A 27 11.414 -8.616 -14.485 1.00 34.30 H new ATOM 0 HB3 PRO A 27 9.805 -9.279 -14.271 1.00 34.30 H new ATOM 0 HG2 PRO A 27 10.199 -7.235 -15.937 1.00 11.13 H new ATOM 0 HG3 PRO A 27 8.747 -7.306 -14.958 1.00 11.13 H new ATOM 0 HD2 PRO A 27 11.223 -5.632 -14.546 1.00 75.10 H new ATOM 0 HD3 PRO A 27 9.543 -5.186 -14.321 1.00 75.10 H new ATOM 467 N HIS A 28 12.654 -7.493 -11.833 1.00 63.55 N ATOM 468 CA HIS A 28 13.928 -7.813 -11.182 1.00 42.15 C ATOM 469 C HIS A 28 13.890 -7.483 -9.679 1.00 12.05 C ATOM 470 O HIS A 28 14.924 -7.448 -9.011 1.00 73.04 O ATOM 471 CB HIS A 28 15.130 -7.114 -11.877 1.00 60.51 C ATOM 472 CG HIS A 28 15.074 -5.615 -11.925 1.00 54.10 C ATOM 473 ND1 HIS A 28 15.528 -4.819 -10.910 1.00 75.11 N ATOM 474 CD2 HIS A 28 14.624 -4.763 -12.886 1.00 24.15 C ATOM 475 CE1 HIS A 28 15.351 -3.562 -11.236 1.00 53.34 C ATOM 476 NE2 HIS A 28 14.818 -3.501 -12.424 1.00 14.42 N ATOM 0 H HIS A 28 12.578 -6.527 -12.152 1.00 63.55 H new ATOM 0 HA HIS A 28 14.075 -8.888 -11.286 1.00 42.15 H new ATOM 0 HB2 HIS A 28 16.045 -7.408 -11.362 1.00 60.51 H new ATOM 0 HB3 HIS A 28 15.204 -7.489 -12.898 1.00 60.51 H new ATOM 0 HD2 HIS A 28 14.193 -5.039 -13.837 1.00 24.15 H new ATOM 0 HE1 HIS A 28 15.606 -2.713 -10.619 1.00 53.34 H new ATOM 0 HE2 HIS A 28 14.584 -2.644 -12.925 1.00 14.42 H new ATOM 485 N CYS A 29 12.704 -7.298 -9.161 1.00 42.42 N ATOM 486 CA CYS A 29 12.499 -7.005 -7.759 1.00 21.42 C ATOM 487 C CYS A 29 11.871 -8.255 -7.136 1.00 31.41 C ATOM 488 O CYS A 29 11.174 -9.005 -7.842 1.00 12.34 O ATOM 489 CB CYS A 29 11.550 -5.792 -7.648 1.00 53.23 C ATOM 490 SG CYS A 29 12.176 -4.257 -8.450 1.00 35.15 S ATOM 0 H CYS A 29 11.841 -7.346 -9.703 1.00 42.42 H new ATOM 0 HA CYS A 29 13.428 -6.760 -7.243 1.00 21.42 H new ATOM 0 HB2 CYS A 29 10.591 -6.055 -8.094 1.00 53.23 H new ATOM 0 HB3 CYS A 29 11.365 -5.587 -6.594 1.00 53.23 H new ATOM 0 HG CYS A 29 11.305 -3.303 -8.301 1.00 35.15 H new ATOM 495 N GLU A 30 12.100 -8.500 -5.842 1.00 45.11 N ATOM 496 CA GLU A 30 11.650 -9.740 -5.253 1.00 41.01 C ATOM 497 C GLU A 30 10.208 -9.646 -4.831 1.00 34.24 C ATOM 498 O GLU A 30 9.838 -8.752 -4.058 1.00 42.40 O ATOM 499 CB GLU A 30 12.493 -10.076 -4.023 1.00 0.22 C ATOM 500 CG GLU A 30 13.948 -10.236 -4.262 1.00 55.41 C ATOM 501 CD GLU A 30 14.695 -10.542 -2.990 1.00 42.13 C ATOM 502 OE1 GLU A 30 15.142 -9.598 -2.304 1.00 4.45 O ATOM 503 OE2 GLU A 30 14.830 -11.728 -2.642 1.00 21.32 O ATOM 0 H GLU A 30 12.583 -7.866 -5.205 1.00 45.11 H new ATOM 0 HA GLU A 30 11.756 -10.520 -6.007 1.00 41.01 H new ATOM 0 HB2 GLU A 30 12.350 -9.290 -3.282 1.00 0.22 H new ATOM 0 HB3 GLU A 30 12.112 -10.999 -3.586 1.00 0.22 H new ATOM 0 HG2 GLU A 30 14.112 -11.038 -4.981 1.00 55.41 H new ATOM 0 HG3 GLU A 30 14.346 -9.323 -4.706 1.00 55.41 H new ATOM 510 N GLU A 31 9.427 -10.635 -5.266 1.00 2.21 N ATOM 511 CA GLU A 31 8.001 -10.754 -4.974 1.00 1.25 C ATOM 512 C GLU A 31 7.207 -9.496 -5.464 1.00 30.01 C ATOM 513 O GLU A 31 7.783 -8.546 -5.981 1.00 61.34 O ATOM 514 CB GLU A 31 7.809 -11.043 -3.469 1.00 2.34 C ATOM 515 CG GLU A 31 6.398 -11.366 -3.043 1.00 14.13 C ATOM 516 CD GLU A 31 6.313 -11.727 -1.604 1.00 5.14 C ATOM 517 OE1 GLU A 31 6.568 -12.905 -1.258 1.00 23.12 O ATOM 518 OE2 GLU A 31 5.999 -10.849 -0.784 1.00 71.11 O ATOM 0 H GLU A 31 9.780 -11.396 -5.847 1.00 2.21 H new ATOM 0 HA GLU A 31 7.585 -11.594 -5.530 1.00 1.25 H new ATOM 0 HB2 GLU A 31 8.453 -11.878 -3.192 1.00 2.34 H new ATOM 0 HB3 GLU A 31 8.151 -10.176 -2.904 1.00 2.34 H new ATOM 0 HG2 GLU A 31 5.756 -10.507 -3.239 1.00 14.13 H new ATOM 0 HG3 GLU A 31 6.019 -12.191 -3.646 1.00 14.13 H new ATOM 525 N LYS A 32 5.901 -9.522 -5.350 1.00 63.50 N ATOM 526 CA LYS A 32 5.094 -8.390 -5.743 1.00 52.35 C ATOM 527 C LYS A 32 5.082 -7.346 -4.660 1.00 32.15 C ATOM 528 O LYS A 32 4.680 -7.611 -3.523 1.00 60.42 O ATOM 529 CB LYS A 32 3.658 -8.791 -6.132 1.00 72.34 C ATOM 530 CG LYS A 32 3.482 -9.459 -7.497 1.00 25.52 C ATOM 531 CD LYS A 32 4.381 -10.646 -7.687 1.00 63.43 C ATOM 532 CE LYS A 32 4.157 -11.305 -9.045 1.00 30.11 C ATOM 533 NZ LYS A 32 2.767 -11.814 -9.195 1.00 64.31 N ATOM 0 H LYS A 32 5.373 -10.316 -4.988 1.00 63.50 H new ATOM 0 HA LYS A 32 5.555 -7.968 -6.636 1.00 52.35 H new ATOM 0 HB2 LYS A 32 3.274 -9.468 -5.369 1.00 72.34 H new ATOM 0 HB3 LYS A 32 3.035 -7.897 -6.107 1.00 72.34 H new ATOM 0 HG2 LYS A 32 2.445 -9.773 -7.611 1.00 25.52 H new ATOM 0 HG3 LYS A 32 3.682 -8.729 -8.281 1.00 25.52 H new ATOM 0 HD2 LYS A 32 5.422 -10.333 -7.600 1.00 63.43 H new ATOM 0 HD3 LYS A 32 4.199 -11.372 -6.895 1.00 63.43 H new ATOM 0 HE2 LYS A 32 4.367 -10.585 -9.836 1.00 30.11 H new ATOM 0 HE3 LYS A 32 4.860 -12.129 -9.169 1.00 30.11 H new ATOM 0 HZ1 LYS A 32 2.718 -12.453 -10.014 1.00 64.31 H new ATOM 0 HZ2 LYS A 32 2.492 -12.331 -8.335 1.00 64.31 H new ATOM 0 HZ3 LYS A 32 2.118 -11.014 -9.341 1.00 64.31 H new ATOM 547 N MET A 33 5.539 -6.182 -5.024 1.00 71.32 N ATOM 548 CA MET A 33 5.614 -5.033 -4.127 1.00 0.44 C ATOM 549 C MET A 33 4.233 -4.443 -3.876 1.00 53.12 C ATOM 550 O MET A 33 3.271 -4.743 -4.601 1.00 73.13 O ATOM 551 CB MET A 33 6.538 -3.956 -4.705 1.00 62.34 C ATOM 552 CG MET A 33 7.969 -4.402 -4.789 1.00 20.13 C ATOM 553 SD MET A 33 8.683 -4.706 -3.179 1.00 31.44 S ATOM 554 CE MET A 33 10.114 -5.590 -3.681 1.00 22.10 C ATOM 0 H MET A 33 5.879 -5.987 -5.966 1.00 71.32 H new ATOM 0 HA MET A 33 6.022 -5.381 -3.178 1.00 0.44 H new ATOM 0 HB2 MET A 33 6.189 -3.680 -5.700 1.00 62.34 H new ATOM 0 HB3 MET A 33 6.477 -3.061 -4.086 1.00 62.34 H new ATOM 0 HG2 MET A 33 8.029 -5.311 -5.388 1.00 20.13 H new ATOM 0 HG3 MET A 33 8.554 -3.641 -5.305 1.00 20.13 H new ATOM 0 HE1 MET A 33 10.490 -6.180 -2.845 1.00 22.10 H new ATOM 0 HE2 MET A 33 9.860 -6.254 -4.508 1.00 22.10 H new ATOM 0 HE3 MET A 33 10.882 -4.887 -4.003 1.00 22.10 H new ATOM 564 N VAL A 34 4.134 -3.613 -2.876 1.00 64.21 N ATOM 565 CA VAL A 34 2.884 -2.983 -2.531 1.00 43.23 C ATOM 566 C VAL A 34 2.808 -1.599 -3.151 1.00 23.33 C ATOM 567 O VAL A 34 3.575 -0.709 -2.798 1.00 41.24 O ATOM 568 CB VAL A 34 2.726 -2.872 -1.005 1.00 53.22 C ATOM 569 CG1 VAL A 34 1.447 -2.134 -0.642 1.00 45.31 C ATOM 570 CG2 VAL A 34 2.746 -4.255 -0.375 1.00 30.44 C ATOM 0 H VAL A 34 4.916 -3.352 -2.275 1.00 64.21 H new ATOM 0 HA VAL A 34 2.076 -3.602 -2.921 1.00 43.23 H new ATOM 0 HB VAL A 34 3.565 -2.297 -0.613 1.00 53.22 H new ATOM 0 HG11 VAL A 34 1.360 -2.069 0.443 1.00 45.31 H new ATOM 0 HG12 VAL A 34 1.474 -1.130 -1.064 1.00 45.31 H new ATOM 0 HG13 VAL A 34 0.589 -2.673 -1.044 1.00 45.31 H new ATOM 0 HG21 VAL A 34 2.633 -4.164 0.705 1.00 30.44 H new ATOM 0 HG22 VAL A 34 1.926 -4.850 -0.777 1.00 30.44 H new ATOM 0 HG23 VAL A 34 3.693 -4.744 -0.601 1.00 30.44 H new ATOM 580 N ILE A 35 1.901 -1.429 -4.066 1.00 43.31 N ATOM 581 CA ILE A 35 1.736 -0.178 -4.750 1.00 75.24 C ATOM 582 C ILE A 35 0.519 0.532 -4.180 1.00 31.02 C ATOM 583 O ILE A 35 -0.599 0.001 -4.216 1.00 43.43 O ATOM 584 CB ILE A 35 1.512 -0.414 -6.254 1.00 51.24 C ATOM 585 CG1 ILE A 35 2.586 -1.353 -6.830 1.00 71.32 C ATOM 586 CG2 ILE A 35 1.495 0.905 -7.010 1.00 62.23 C ATOM 587 CD1 ILE A 35 4.019 -0.866 -6.709 1.00 61.53 C ATOM 0 H ILE A 35 1.251 -2.157 -4.362 1.00 43.31 H new ATOM 0 HA ILE A 35 2.634 0.425 -4.614 1.00 75.24 H new ATOM 0 HB ILE A 35 0.541 -0.893 -6.377 1.00 51.24 H new ATOM 0 HG12 ILE A 35 2.506 -2.318 -6.329 1.00 71.32 H new ATOM 0 HG13 ILE A 35 2.367 -1.522 -7.884 1.00 71.32 H new ATOM 0 HG21 ILE A 35 1.335 0.714 -8.071 1.00 62.23 H new ATOM 0 HG22 ILE A 35 0.689 1.532 -6.629 1.00 62.23 H new ATOM 0 HG23 ILE A 35 2.448 1.415 -6.873 1.00 62.23 H new ATOM 0 HD11 ILE A 35 4.692 -1.604 -7.146 1.00 61.53 H new ATOM 0 HD12 ILE A 35 4.127 0.082 -7.237 1.00 61.53 H new ATOM 0 HD13 ILE A 35 4.268 -0.726 -5.657 1.00 61.53 H new ATOM 599 N ILE A 36 0.723 1.706 -3.655 1.00 74.33 N ATOM 600 CA ILE A 36 -0.345 2.450 -3.039 1.00 45.24 C ATOM 601 C ILE A 36 -0.646 3.754 -3.742 1.00 62.32 C ATOM 602 O ILE A 36 0.204 4.634 -3.843 1.00 45.32 O ATOM 603 CB ILE A 36 -0.092 2.675 -1.536 1.00 15.01 C ATOM 604 CG1 ILE A 36 -0.211 1.342 -0.799 1.00 53.20 C ATOM 605 CG2 ILE A 36 -1.022 3.737 -0.950 1.00 22.10 C ATOM 606 CD1 ILE A 36 -0.047 1.449 0.681 1.00 51.21 C ATOM 0 H ILE A 36 1.629 2.175 -3.640 1.00 74.33 H new ATOM 0 HA ILE A 36 -1.235 1.830 -3.143 1.00 45.24 H new ATOM 0 HB ILE A 36 0.919 3.060 -1.405 1.00 15.01 H new ATOM 0 HG12 ILE A 36 -1.186 0.905 -1.015 1.00 53.20 H new ATOM 0 HG13 ILE A 36 0.540 0.655 -1.189 1.00 53.20 H new ATOM 0 HG21 ILE A 36 -0.808 3.862 0.111 1.00 22.10 H new ATOM 0 HG22 ILE A 36 -0.864 4.684 -1.466 1.00 22.10 H new ATOM 0 HG23 ILE A 36 -2.058 3.423 -1.077 1.00 22.10 H new ATOM 0 HD11 ILE A 36 -0.145 0.461 1.130 1.00 51.21 H new ATOM 0 HD12 ILE A 36 0.938 1.855 0.909 1.00 51.21 H new ATOM 0 HD13 ILE A 36 -0.814 2.109 1.085 1.00 51.21 H new ATOM 618 N THR A 37 -1.868 3.870 -4.177 1.00 44.41 N ATOM 619 CA THR A 37 -2.357 5.037 -4.878 1.00 55.12 C ATOM 620 C THR A 37 -3.072 5.956 -3.873 1.00 44.23 C ATOM 621 O THR A 37 -3.904 5.484 -3.080 1.00 13.11 O ATOM 622 CB THR A 37 -3.348 4.589 -5.963 1.00 12.13 C ATOM 623 OG1 THR A 37 -2.705 3.621 -6.808 1.00 14.12 O ATOM 624 CG2 THR A 37 -3.820 5.766 -6.804 1.00 53.03 C ATOM 0 H THR A 37 -2.573 3.143 -4.055 1.00 44.41 H new ATOM 0 HA THR A 37 -1.529 5.574 -5.341 1.00 55.12 H new ATOM 0 HB THR A 37 -4.221 4.152 -5.478 1.00 12.13 H new ATOM 0 HG1 THR A 37 -3.330 3.327 -7.503 1.00 14.12 H new ATOM 0 HG21 THR A 37 -4.520 5.414 -7.562 1.00 53.03 H new ATOM 0 HG22 THR A 37 -4.315 6.495 -6.163 1.00 53.03 H new ATOM 0 HG23 THR A 37 -2.963 6.233 -7.290 1.00 53.03 H new ATOM 632 N THR A 38 -2.756 7.244 -3.902 1.00 3.03 N ATOM 633 CA THR A 38 -3.300 8.176 -2.933 1.00 72.54 C ATOM 634 C THR A 38 -4.609 8.838 -3.381 1.00 43.40 C ATOM 635 O THR A 38 -4.924 8.876 -4.579 1.00 41.15 O ATOM 636 CB THR A 38 -2.241 9.196 -2.508 1.00 33.54 C ATOM 637 OG1 THR A 38 -1.582 9.753 -3.681 1.00 42.41 O ATOM 638 CG2 THR A 38 -1.224 8.514 -1.619 1.00 73.11 C ATOM 0 H THR A 38 -2.126 7.663 -4.586 1.00 3.03 H new ATOM 0 HA THR A 38 -3.575 7.590 -2.056 1.00 72.54 H new ATOM 0 HB THR A 38 -2.719 10.008 -1.960 1.00 33.54 H new ATOM 0 HG1 THR A 38 -0.908 10.405 -3.398 1.00 42.41 H new ATOM 0 HG21 THR A 38 -0.467 9.235 -1.313 1.00 73.11 H new ATOM 0 HG22 THR A 38 -1.723 8.114 -0.736 1.00 73.11 H new ATOM 0 HG23 THR A 38 -0.749 7.700 -2.167 1.00 73.11 H new ATOM 646 N LYS A 39 -5.362 9.366 -2.406 1.00 20.11 N ATOM 647 CA LYS A 39 -6.706 9.875 -2.657 1.00 0.01 C ATOM 648 C LYS A 39 -6.736 11.238 -3.343 1.00 2.31 C ATOM 649 O LYS A 39 -7.370 11.366 -4.389 1.00 71.11 O ATOM 650 CB LYS A 39 -7.520 9.822 -1.324 1.00 15.44 C ATOM 651 CG LYS A 39 -9.039 10.114 -1.381 1.00 72.42 C ATOM 652 CD LYS A 39 -9.383 11.577 -1.625 1.00 14.20 C ATOM 653 CE LYS A 39 -10.892 11.793 -1.588 1.00 3.13 C ATOM 654 NZ LYS A 39 -11.475 11.446 -0.268 1.00 4.42 N ATOM 0 H LYS A 39 -5.057 9.449 -1.436 1.00 20.11 H new ATOM 0 HA LYS A 39 -7.190 9.227 -3.388 1.00 0.01 H new ATOM 0 HB2 LYS A 39 -7.388 8.830 -0.893 1.00 15.44 H new ATOM 0 HB3 LYS A 39 -7.070 10.533 -0.631 1.00 15.44 H new ATOM 0 HG2 LYS A 39 -9.484 9.511 -2.172 1.00 72.42 H new ATOM 0 HG3 LYS A 39 -9.494 9.797 -0.443 1.00 72.42 H new ATOM 0 HD2 LYS A 39 -8.904 12.199 -0.869 1.00 14.20 H new ATOM 0 HD3 LYS A 39 -8.990 11.891 -2.592 1.00 14.20 H new ATOM 0 HE2 LYS A 39 -11.114 12.835 -1.819 1.00 3.13 H new ATOM 0 HE3 LYS A 39 -11.363 11.187 -2.362 1.00 3.13 H new ATOM 0 HZ1 LYS A 39 -12.422 11.867 -0.185 1.00 4.42 H new ATOM 0 HZ2 LYS A 39 -11.547 10.412 -0.181 1.00 4.42 H new ATOM 0 HZ3 LYS A 39 -10.865 11.815 0.489 1.00 4.42 H new ATOM 668 N SER A 40 -6.009 12.216 -2.827 1.00 1.51 N ATOM 669 CA SER A 40 -5.968 13.574 -3.412 1.00 23.10 C ATOM 670 C SER A 40 -4.891 14.442 -2.780 1.00 1.34 C ATOM 671 O SER A 40 -3.805 14.590 -3.343 1.00 31.14 O ATOM 672 CB SER A 40 -7.342 14.316 -3.365 1.00 32.34 C ATOM 673 OG SER A 40 -8.316 13.716 -4.223 1.00 2.32 O ATOM 0 H SER A 40 -5.429 12.106 -1.995 1.00 1.51 H new ATOM 0 HA SER A 40 -5.720 13.415 -4.461 1.00 23.10 H new ATOM 0 HB2 SER A 40 -7.716 14.318 -2.341 1.00 32.34 H new ATOM 0 HB3 SER A 40 -7.199 15.357 -3.654 1.00 32.34 H new ATOM 0 HG SER A 40 -7.921 12.942 -4.675 1.00 2.32 H new ATOM 679 N VAL A 41 -5.167 14.993 -1.594 1.00 0.32 N ATOM 680 CA VAL A 41 -4.234 15.917 -0.974 1.00 44.52 C ATOM 681 C VAL A 41 -3.097 15.187 -0.267 1.00 73.34 C ATOM 682 O VAL A 41 -3.072 15.033 0.961 1.00 73.34 O ATOM 683 CB VAL A 41 -4.922 16.966 -0.040 1.00 5.32 C ATOM 684 CG1 VAL A 41 -3.908 17.972 0.504 1.00 31.01 C ATOM 685 CG2 VAL A 41 -6.032 17.687 -0.788 1.00 54.20 C ATOM 0 H VAL A 41 -6.016 14.815 -1.058 1.00 0.32 H new ATOM 0 HA VAL A 41 -3.799 16.491 -1.792 1.00 44.52 H new ATOM 0 HB VAL A 41 -5.353 16.433 0.807 1.00 5.32 H new ATOM 0 HG11 VAL A 41 -4.416 18.688 1.150 1.00 31.01 H new ATOM 0 HG12 VAL A 41 -3.144 17.446 1.077 1.00 31.01 H new ATOM 0 HG13 VAL A 41 -3.439 18.501 -0.326 1.00 31.01 H new ATOM 0 HG21 VAL A 41 -6.503 18.415 -0.127 1.00 54.20 H new ATOM 0 HG22 VAL A 41 -5.613 18.201 -1.654 1.00 54.20 H new ATOM 0 HG23 VAL A 41 -6.776 16.963 -1.120 1.00 54.20 H new ATOM 695 N SER A 42 -2.266 14.628 -1.075 1.00 13.22 N ATOM 696 CA SER A 42 -1.051 14.006 -0.688 1.00 51.52 C ATOM 697 C SER A 42 0.039 14.620 -1.554 1.00 11.24 C ATOM 698 O SER A 42 -0.262 15.090 -2.657 1.00 51.33 O ATOM 699 CB SER A 42 -1.154 12.492 -0.911 1.00 22.33 C ATOM 700 OG SER A 42 -2.202 11.927 -0.122 1.00 31.02 O ATOM 0 H SER A 42 -2.427 14.591 -2.082 1.00 13.22 H new ATOM 0 HA SER A 42 -0.829 14.161 0.368 1.00 51.52 H new ATOM 0 HB2 SER A 42 -1.338 12.288 -1.966 1.00 22.33 H new ATOM 0 HB3 SER A 42 -0.206 12.018 -0.656 1.00 22.33 H new ATOM 0 HG SER A 42 -2.056 10.963 -0.026 1.00 31.02 H new ATOM 706 N ARG A 43 1.282 14.622 -1.086 1.00 40.14 N ATOM 707 CA ARG A 43 2.385 15.235 -1.842 1.00 22.24 C ATOM 708 C ARG A 43 2.620 14.536 -3.185 1.00 31.53 C ATOM 709 O ARG A 43 3.171 15.121 -4.117 1.00 31.04 O ATOM 710 CB ARG A 43 3.685 15.281 -1.024 1.00 72.11 C ATOM 711 CG ARG A 43 4.212 13.923 -0.587 1.00 10.40 C ATOM 712 CD ARG A 43 5.576 14.047 0.068 1.00 61.21 C ATOM 713 NE ARG A 43 6.558 14.628 -0.857 1.00 51.31 N ATOM 714 CZ ARG A 43 7.875 14.425 -0.814 1.00 50.31 C ATOM 715 NH1 ARG A 43 8.416 13.678 0.145 1.00 2.11 N ATOM 716 NH2 ARG A 43 8.649 14.984 -1.733 1.00 61.51 N ATOM 0 H ARG A 43 1.557 14.211 -0.194 1.00 40.14 H new ATOM 0 HA ARG A 43 2.081 16.261 -2.049 1.00 22.24 H new ATOM 0 HB2 ARG A 43 4.453 15.780 -1.616 1.00 72.11 H new ATOM 0 HB3 ARG A 43 3.518 15.893 -0.137 1.00 72.11 H new ATOM 0 HG2 ARG A 43 3.511 13.466 0.111 1.00 10.40 H new ATOM 0 HG3 ARG A 43 4.279 13.261 -1.451 1.00 10.40 H new ATOM 0 HD2 ARG A 43 5.499 14.670 0.959 1.00 61.21 H new ATOM 0 HD3 ARG A 43 5.917 13.064 0.394 1.00 61.21 H new ATOM 0 HE ARG A 43 6.203 15.238 -1.594 1.00 51.31 H new ATOM 0 HH11 ARG A 43 7.822 13.254 0.857 1.00 2.11 H new ATOM 0 HH12 ARG A 43 9.425 13.530 0.168 1.00 2.11 H new ATOM 0 HH21 ARG A 43 8.236 15.563 -2.464 1.00 61.51 H new ATOM 0 HH22 ARG A 43 9.658 14.835 -1.709 1.00 61.51 H new ATOM 730 N TYR A 44 2.220 13.288 -3.270 1.00 52.22 N ATOM 731 CA TYR A 44 2.310 12.554 -4.506 1.00 71.02 C ATOM 732 C TYR A 44 1.209 12.965 -5.463 1.00 42.42 C ATOM 733 O TYR A 44 1.490 13.272 -6.616 1.00 1.43 O ATOM 734 CB TYR A 44 2.360 11.044 -4.253 1.00 42.12 C ATOM 735 CG TYR A 44 3.697 10.614 -3.714 1.00 2.13 C ATOM 736 CD1 TYR A 44 3.955 10.628 -2.364 1.00 62.43 C ATOM 737 CD2 TYR A 44 4.714 10.223 -4.575 1.00 13.33 C ATOM 738 CE1 TYR A 44 5.190 10.269 -1.870 1.00 53.20 C ATOM 739 CE2 TYR A 44 5.952 9.854 -4.090 1.00 34.42 C ATOM 740 CZ TYR A 44 6.182 9.880 -2.734 1.00 22.33 C ATOM 741 OH TYR A 44 7.417 9.533 -2.238 1.00 2.24 O ATOM 0 H TYR A 44 1.827 12.759 -2.491 1.00 52.22 H new ATOM 0 HA TYR A 44 3.251 12.809 -4.994 1.00 71.02 H new ATOM 0 HB2 TYR A 44 1.577 10.767 -3.547 1.00 42.12 H new ATOM 0 HB3 TYR A 44 2.154 10.512 -5.182 1.00 42.12 H new ATOM 0 HD1 TYR A 44 3.176 10.926 -1.678 1.00 62.43 H new ATOM 0 HD2 TYR A 44 4.533 10.208 -5.640 1.00 13.33 H new ATOM 0 HE1 TYR A 44 5.376 10.294 -0.807 1.00 53.20 H new ATOM 0 HE2 TYR A 44 6.734 9.547 -4.769 1.00 34.42 H new ATOM 0 HH TYR A 44 8.008 9.281 -2.978 1.00 2.24 H new ATOM 751 N ARG A 45 -0.031 13.001 -4.948 1.00 62.34 N ATOM 752 CA ARG A 45 -1.227 13.436 -5.668 1.00 44.14 C ATOM 753 C ARG A 45 -1.357 12.725 -7.024 1.00 63.01 C ATOM 754 O ARG A 45 -0.780 13.151 -8.034 1.00 44.40 O ATOM 755 CB ARG A 45 -1.219 14.978 -5.808 1.00 40.02 C ATOM 756 CG ARG A 45 -2.561 15.640 -6.100 1.00 24.34 C ATOM 757 CD ARG A 45 -3.155 15.292 -7.455 1.00 61.03 C ATOM 758 NE ARG A 45 -2.281 15.678 -8.574 1.00 63.21 N ATOM 759 CZ ARG A 45 -2.647 15.644 -9.859 1.00 75.45 C ATOM 760 NH1 ARG A 45 -3.881 15.272 -10.191 1.00 64.21 N ATOM 761 NH2 ARG A 45 -1.781 15.970 -10.812 1.00 3.14 N ATOM 0 H ARG A 45 -0.229 12.718 -3.988 1.00 62.34 H new ATOM 0 HA ARG A 45 -2.110 13.154 -5.094 1.00 44.14 H new ATOM 0 HB2 ARG A 45 -0.822 15.403 -4.886 1.00 40.02 H new ATOM 0 HB3 ARG A 45 -0.526 15.245 -6.606 1.00 40.02 H new ATOM 0 HG2 ARG A 45 -3.270 15.354 -5.323 1.00 24.34 H new ATOM 0 HG3 ARG A 45 -2.439 16.721 -6.038 1.00 24.34 H new ATOM 0 HD2 ARG A 45 -3.344 14.219 -7.500 1.00 61.03 H new ATOM 0 HD3 ARG A 45 -4.119 15.790 -7.563 1.00 61.03 H new ATOM 0 HE ARG A 45 -1.335 15.992 -8.355 1.00 63.21 H new ATOM 0 HH11 ARG A 45 -4.548 15.013 -9.464 1.00 64.21 H new ATOM 0 HH12 ARG A 45 -4.159 15.246 -11.172 1.00 64.21 H new ATOM 0 HH21 ARG A 45 -0.831 16.248 -10.565 1.00 3.14 H new ATOM 0 HH22 ARG A 45 -2.066 15.942 -11.791 1.00 3.14 H new ATOM 775 N GLY A 46 -2.074 11.635 -7.029 1.00 63.00 N ATOM 776 CA GLY A 46 -2.250 10.879 -8.242 1.00 61.12 C ATOM 777 C GLY A 46 -1.033 10.050 -8.587 1.00 0.23 C ATOM 778 O GLY A 46 -0.930 9.525 -9.691 1.00 64.23 O ATOM 0 H GLY A 46 -2.545 11.250 -6.210 1.00 63.00 H new ATOM 0 HA2 GLY A 46 -3.114 10.224 -8.136 1.00 61.12 H new ATOM 0 HA3 GLY A 46 -2.466 11.561 -9.064 1.00 61.12 H new ATOM 782 N GLN A 47 -0.109 9.972 -7.658 1.00 43.52 N ATOM 783 CA GLN A 47 1.082 9.168 -7.802 1.00 24.03 C ATOM 784 C GLN A 47 1.107 8.122 -6.710 1.00 3.00 C ATOM 785 O GLN A 47 0.476 8.304 -5.632 1.00 22.34 O ATOM 786 CB GLN A 47 2.364 10.013 -7.805 1.00 74.13 C ATOM 787 CG GLN A 47 2.492 10.965 -8.978 1.00 32.45 C ATOM 788 CD GLN A 47 3.778 11.762 -8.927 1.00 52.35 C ATOM 789 OE1 GLN A 47 4.809 11.350 -9.468 1.00 33.25 O ATOM 790 NE2 GLN A 47 3.741 12.891 -8.268 1.00 72.12 N ATOM 0 H GLN A 47 -0.164 10.471 -6.770 1.00 43.52 H new ATOM 0 HA GLN A 47 1.050 8.676 -8.774 1.00 24.03 H new ATOM 0 HB2 GLN A 47 2.405 10.589 -6.881 1.00 74.13 H new ATOM 0 HB3 GLN A 47 3.224 9.344 -7.802 1.00 74.13 H new ATOM 0 HG2 GLN A 47 2.453 10.400 -9.909 1.00 32.45 H new ATOM 0 HG3 GLN A 47 1.643 11.648 -8.984 1.00 32.45 H new ATOM 0 HE21 GLN A 47 2.871 13.200 -7.834 1.00 72.12 H new ATOM 0 HE22 GLN A 47 4.582 13.463 -8.188 1.00 72.12 H new ATOM 799 N GLU A 48 1.807 7.053 -6.960 1.00 54.31 N ATOM 800 CA GLU A 48 1.801 5.917 -6.087 1.00 13.53 C ATOM 801 C GLU A 48 3.022 5.871 -5.186 1.00 21.40 C ATOM 802 O GLU A 48 4.065 6.455 -5.475 1.00 22.35 O ATOM 803 CB GLU A 48 1.711 4.582 -6.860 1.00 74.13 C ATOM 804 CG GLU A 48 0.490 4.387 -7.768 1.00 31.52 C ATOM 805 CD GLU A 48 0.516 5.237 -9.015 1.00 51.12 C ATOM 806 OE1 GLU A 48 1.292 4.917 -9.942 1.00 20.45 O ATOM 807 OE2 GLU A 48 -0.236 6.211 -9.103 1.00 64.30 O ATOM 0 H GLU A 48 2.402 6.945 -7.782 1.00 54.31 H new ATOM 0 HA GLU A 48 0.908 6.038 -5.473 1.00 13.53 H new ATOM 0 HB2 GLU A 48 2.608 4.483 -7.472 1.00 74.13 H new ATOM 0 HB3 GLU A 48 1.728 3.768 -6.135 1.00 74.13 H new ATOM 0 HG2 GLU A 48 0.427 3.338 -8.056 1.00 31.52 H new ATOM 0 HG3 GLU A 48 -0.413 4.617 -7.202 1.00 31.52 H new ATOM 814 N HIS A 49 2.863 5.185 -4.092 1.00 41.41 N ATOM 815 CA HIS A 49 3.939 4.891 -3.166 1.00 21.43 C ATOM 816 C HIS A 49 4.243 3.424 -3.306 1.00 61.33 C ATOM 817 O HIS A 49 3.371 2.663 -3.738 1.00 43.33 O ATOM 818 CB HIS A 49 3.510 5.085 -1.708 1.00 75.23 C ATOM 819 CG HIS A 49 3.113 6.455 -1.267 1.00 73.24 C ATOM 820 ND1 HIS A 49 3.858 7.181 -0.380 1.00 22.33 N ATOM 821 CD2 HIS A 49 1.997 7.170 -1.480 1.00 10.10 C ATOM 822 CE1 HIS A 49 3.220 8.269 -0.052 1.00 2.45 C ATOM 823 NE2 HIS A 49 2.084 8.296 -0.705 1.00 4.24 N ATOM 0 H HIS A 49 1.963 4.801 -3.804 1.00 41.41 H new ATOM 0 HA HIS A 49 4.777 5.551 -3.391 1.00 21.43 H new ATOM 0 HB2 HIS A 49 2.670 4.417 -1.516 1.00 75.23 H new ATOM 0 HB3 HIS A 49 4.332 4.755 -1.072 1.00 75.23 H new ATOM 0 HD1 HIS A 49 4.776 6.911 -0.027 1.00 22.33 H new ATOM 0 HD2 HIS A 49 1.183 6.907 -2.139 1.00 10.10 H new ATOM 0 HE1 HIS A 49 3.568 9.021 0.641 1.00 2.45 H new ATOM 832 N CYS A 50 5.422 3.014 -2.958 1.00 60.22 N ATOM 833 CA CYS A 50 5.721 1.609 -2.960 1.00 41.31 C ATOM 834 C CYS A 50 6.152 1.182 -1.572 1.00 50.10 C ATOM 835 O CYS A 50 7.049 1.789 -0.964 1.00 5.41 O ATOM 836 CB CYS A 50 6.785 1.242 -3.992 1.00 72.44 C ATOM 837 SG CYS A 50 7.118 -0.553 -4.085 1.00 34.13 S ATOM 0 H CYS A 50 6.189 3.622 -2.671 1.00 60.22 H new ATOM 0 HA CYS A 50 4.814 1.074 -3.244 1.00 41.31 H new ATOM 0 HB2 CYS A 50 6.467 1.596 -4.973 1.00 72.44 H new ATOM 0 HB3 CYS A 50 7.711 1.764 -3.750 1.00 72.44 H new ATOM 0 HG CYS A 50 6.297 -1.103 -4.930 1.00 34.13 H new ATOM 842 N LEU A 51 5.506 0.176 -1.060 1.00 55.10 N ATOM 843 CA LEU A 51 5.802 -0.338 0.244 1.00 63.13 C ATOM 844 C LEU A 51 6.368 -1.747 0.092 1.00 13.45 C ATOM 845 O LEU A 51 5.898 -2.528 -0.743 1.00 0.12 O ATOM 846 CB LEU A 51 4.536 -0.305 1.127 1.00 1.41 C ATOM 847 CG LEU A 51 4.685 -0.754 2.582 1.00 60.43 C ATOM 848 CD1 LEU A 51 5.731 0.086 3.297 1.00 54.22 C ATOM 849 CD2 LEU A 51 3.345 -0.637 3.299 1.00 12.05 C ATOM 0 H LEU A 51 4.752 -0.315 -1.540 1.00 55.10 H new ATOM 0 HA LEU A 51 6.548 0.280 0.743 1.00 63.13 H new ATOM 0 HB2 LEU A 51 4.150 0.714 1.126 1.00 1.41 H new ATOM 0 HB3 LEU A 51 3.779 -0.932 0.656 1.00 1.41 H new ATOM 0 HG LEU A 51 5.010 -1.794 2.594 1.00 60.43 H new ATOM 0 HD11 LEU A 51 5.822 -0.249 4.330 1.00 54.22 H new ATOM 0 HD12 LEU A 51 6.692 -0.024 2.794 1.00 54.22 H new ATOM 0 HD13 LEU A 51 5.430 1.134 3.280 1.00 54.22 H new ATOM 0 HD21 LEU A 51 3.457 -0.958 4.335 1.00 12.05 H new ATOM 0 HD22 LEU A 51 3.009 0.400 3.275 1.00 12.05 H new ATOM 0 HD23 LEU A 51 2.609 -1.269 2.801 1.00 12.05 H new ATOM 861 N HIS A 52 7.380 -2.057 0.870 1.00 64.31 N ATOM 862 CA HIS A 52 8.080 -3.321 0.743 1.00 2.10 C ATOM 863 C HIS A 52 7.336 -4.430 1.516 1.00 2.12 C ATOM 864 O HIS A 52 7.309 -4.423 2.737 1.00 5.11 O ATOM 865 CB HIS A 52 9.516 -3.158 1.251 1.00 23.43 C ATOM 866 CG HIS A 52 10.421 -4.291 0.907 1.00 11.20 C ATOM 867 ND1 HIS A 52 11.011 -5.107 1.836 1.00 53.31 N ATOM 868 CD2 HIS A 52 10.881 -4.700 -0.290 1.00 71.51 C ATOM 869 CE1 HIS A 52 11.787 -5.972 1.222 1.00 42.14 C ATOM 870 NE2 HIS A 52 11.730 -5.743 -0.071 1.00 13.23 N ATOM 0 H HIS A 52 7.741 -1.448 1.604 1.00 64.31 H new ATOM 0 HA HIS A 52 8.111 -3.616 -0.306 1.00 2.10 H new ATOM 0 HB2 HIS A 52 9.932 -2.238 0.840 1.00 23.43 H new ATOM 0 HB3 HIS A 52 9.495 -3.042 2.335 1.00 23.43 H new ATOM 0 HD2 HIS A 52 10.624 -4.278 -1.250 1.00 71.51 H new ATOM 0 HE1 HIS A 52 12.374 -6.742 1.700 1.00 42.14 H new ATOM 0 HE2 HIS A 52 12.236 -6.260 -0.790 1.00 13.23 H new ATOM 879 N PRO A 53 6.783 -5.430 0.796 1.00 73.00 N ATOM 880 CA PRO A 53 5.891 -6.466 1.373 1.00 60.02 C ATOM 881 C PRO A 53 6.594 -7.518 2.210 1.00 44.24 C ATOM 882 O PRO A 53 5.991 -8.499 2.598 1.00 14.22 O ATOM 883 CB PRO A 53 5.307 -7.129 0.145 1.00 62.31 C ATOM 884 CG PRO A 53 6.362 -6.987 -0.883 1.00 43.14 C ATOM 885 CD PRO A 53 6.989 -5.651 -0.643 1.00 61.33 C ATOM 0 HA PRO A 53 5.176 -6.009 2.057 1.00 60.02 H new ATOM 0 HB2 PRO A 53 5.072 -8.177 0.332 1.00 62.31 H new ATOM 0 HB3 PRO A 53 4.381 -6.645 -0.166 1.00 62.31 H new ATOM 0 HG2 PRO A 53 7.099 -7.785 -0.799 1.00 43.14 H new ATOM 0 HG3 PRO A 53 5.940 -7.046 -1.886 1.00 43.14 H new ATOM 0 HD2 PRO A 53 8.048 -5.652 -0.902 1.00 61.33 H new ATOM 0 HD3 PRO A 53 6.516 -4.872 -1.241 1.00 61.33 H new ATOM 893 N LYS A 54 7.848 -7.322 2.480 1.00 33.43 N ATOM 894 CA LYS A 54 8.588 -8.278 3.275 1.00 4.23 C ATOM 895 C LYS A 54 8.405 -8.047 4.766 1.00 53.20 C ATOM 896 O LYS A 54 8.695 -8.922 5.590 1.00 54.35 O ATOM 897 CB LYS A 54 10.068 -8.327 2.906 1.00 24.33 C ATOM 898 CG LYS A 54 10.351 -9.139 1.651 1.00 10.20 C ATOM 899 CD LYS A 54 9.668 -8.590 0.416 1.00 63.53 C ATOM 900 CE LYS A 54 9.738 -9.567 -0.732 1.00 65.44 C ATOM 901 NZ LYS A 54 11.113 -10.038 -1.005 1.00 14.12 N ATOM 0 H LYS A 54 8.387 -6.515 2.167 1.00 33.43 H new ATOM 0 HA LYS A 54 8.165 -9.254 3.038 1.00 4.23 H new ATOM 0 HB2 LYS A 54 10.433 -7.310 2.762 1.00 24.33 H new ATOM 0 HB3 LYS A 54 10.629 -8.752 3.739 1.00 24.33 H new ATOM 0 HG2 LYS A 54 11.427 -9.168 1.480 1.00 10.20 H new ATOM 0 HG3 LYS A 54 10.026 -10.167 1.811 1.00 10.20 H new ATOM 0 HD2 LYS A 54 8.625 -8.368 0.643 1.00 63.53 H new ATOM 0 HD3 LYS A 54 10.138 -7.651 0.125 1.00 63.53 H new ATOM 0 HE2 LYS A 54 9.103 -10.425 -0.511 1.00 65.44 H new ATOM 0 HE3 LYS A 54 9.336 -9.095 -1.629 1.00 65.44 H new ATOM 0 HZ1 LYS A 54 11.112 -10.639 -1.854 1.00 14.12 H new ATOM 0 HZ2 LYS A 54 11.736 -9.220 -1.160 1.00 14.12 H new ATOM 0 HZ3 LYS A 54 11.459 -10.587 -0.193 1.00 14.12 H new ATOM 915 N LEU A 55 7.902 -6.878 5.107 1.00 52.13 N ATOM 916 CA LEU A 55 7.695 -6.507 6.489 1.00 15.20 C ATOM 917 C LEU A 55 6.355 -7.038 6.966 1.00 40.10 C ATOM 918 O LEU A 55 5.374 -7.021 6.217 1.00 41.41 O ATOM 919 CB LEU A 55 7.720 -4.983 6.626 1.00 14.51 C ATOM 920 CG LEU A 55 8.989 -4.279 6.142 1.00 4.40 C ATOM 921 CD1 LEU A 55 8.843 -2.776 6.272 1.00 11.42 C ATOM 922 CD2 LEU A 55 10.203 -4.762 6.920 1.00 40.20 C ATOM 0 H LEU A 55 7.626 -6.162 4.435 1.00 52.13 H new ATOM 0 HA LEU A 55 8.491 -6.936 7.097 1.00 15.20 H new ATOM 0 HB2 LEU A 55 6.872 -4.576 6.075 1.00 14.51 H new ATOM 0 HB3 LEU A 55 7.569 -4.731 7.676 1.00 14.51 H new ATOM 0 HG LEU A 55 9.136 -4.525 5.090 1.00 4.40 H new ATOM 0 HD11 LEU A 55 9.754 -2.290 5.923 1.00 11.42 H new ATOM 0 HD12 LEU A 55 7.999 -2.439 5.670 1.00 11.42 H new ATOM 0 HD13 LEU A 55 8.670 -2.516 7.316 1.00 11.42 H new ATOM 0 HD21 LEU A 55 11.094 -4.248 6.559 1.00 40.20 H new ATOM 0 HD22 LEU A 55 10.065 -4.548 7.980 1.00 40.20 H new ATOM 0 HD23 LEU A 55 10.322 -5.836 6.779 1.00 40.20 H new ATOM 934 N GLN A 56 6.306 -7.494 8.203 1.00 74.01 N ATOM 935 CA GLN A 56 5.081 -8.042 8.784 1.00 22.23 C ATOM 936 C GLN A 56 4.038 -6.950 8.941 1.00 52.33 C ATOM 937 O GLN A 56 2.839 -7.186 8.766 1.00 45.21 O ATOM 938 CB GLN A 56 5.359 -8.710 10.125 1.00 43.13 C ATOM 939 CG GLN A 56 6.355 -9.851 10.044 1.00 13.03 C ATOM 940 CD GLN A 56 6.584 -10.523 11.377 1.00 43.42 C ATOM 941 OE1 GLN A 56 6.470 -9.897 12.437 1.00 63.31 O ATOM 942 NE2 GLN A 56 6.922 -11.784 11.342 1.00 14.41 N ATOM 0 H GLN A 56 7.106 -7.498 8.836 1.00 74.01 H new ATOM 0 HA GLN A 56 4.695 -8.802 8.105 1.00 22.23 H new ATOM 0 HB2 GLN A 56 5.734 -7.961 10.823 1.00 43.13 H new ATOM 0 HB3 GLN A 56 4.422 -9.086 10.534 1.00 43.13 H new ATOM 0 HG2 GLN A 56 5.997 -10.589 9.327 1.00 13.03 H new ATOM 0 HG3 GLN A 56 7.304 -9.472 9.665 1.00 13.03 H new ATOM 0 HE21 GLN A 56 7.005 -12.265 10.446 1.00 14.41 H new ATOM 0 HE22 GLN A 56 7.103 -12.288 12.210 1.00 14.41 H new ATOM 951 N SER A 57 4.502 -5.751 9.239 1.00 43.02 N ATOM 952 CA SER A 57 3.638 -4.597 9.361 1.00 33.13 C ATOM 953 C SER A 57 2.983 -4.289 8.006 1.00 43.54 C ATOM 954 O SER A 57 1.892 -3.727 7.941 1.00 12.34 O ATOM 955 CB SER A 57 4.453 -3.410 9.851 1.00 33.33 C ATOM 956 OG SER A 57 5.129 -3.741 11.059 1.00 13.55 O ATOM 0 H SER A 57 5.489 -5.552 9.403 1.00 43.02 H new ATOM 0 HA SER A 57 2.847 -4.802 10.082 1.00 33.13 H new ATOM 0 HB2 SER A 57 5.176 -3.117 9.090 1.00 33.33 H new ATOM 0 HB3 SER A 57 3.799 -2.554 10.015 1.00 33.33 H new ATOM 0 HG SER A 57 5.651 -2.970 11.363 1.00 13.55 H new ATOM 962 N THR A 58 3.649 -4.678 6.931 1.00 2.25 N ATOM 963 CA THR A 58 3.123 -4.485 5.622 1.00 21.00 C ATOM 964 C THR A 58 1.982 -5.480 5.371 1.00 14.34 C ATOM 965 O THR A 58 0.947 -5.098 4.844 1.00 74.42 O ATOM 966 CB THR A 58 4.222 -4.606 4.564 1.00 61.23 C ATOM 967 OG1 THR A 58 5.286 -3.714 4.917 1.00 33.22 O ATOM 968 CG2 THR A 58 3.691 -4.218 3.191 1.00 64.50 C ATOM 0 H THR A 58 4.562 -5.132 6.958 1.00 2.25 H new ATOM 0 HA THR A 58 2.720 -3.475 5.547 1.00 21.00 H new ATOM 0 HB THR A 58 4.572 -5.638 4.525 1.00 61.23 H new ATOM 0 HG1 THR A 58 6.031 -3.829 4.291 1.00 33.22 H new ATOM 0 HG21 THR A 58 4.488 -4.311 2.453 1.00 64.50 H new ATOM 0 HG22 THR A 58 2.867 -4.878 2.920 1.00 64.50 H new ATOM 0 HG23 THR A 58 3.338 -3.187 3.216 1.00 64.50 H new ATOM 976 N LYS A 59 2.154 -6.763 5.790 1.00 64.34 N ATOM 977 CA LYS A 59 1.040 -7.730 5.706 1.00 25.12 C ATOM 978 C LYS A 59 -0.119 -7.226 6.495 1.00 73.45 C ATOM 979 O LYS A 59 -1.272 -7.339 6.073 1.00 0.34 O ATOM 980 CB LYS A 59 1.384 -9.131 6.224 1.00 24.32 C ATOM 981 CG LYS A 59 2.288 -9.966 5.354 1.00 73.01 C ATOM 982 CD LYS A 59 3.721 -9.503 5.348 1.00 42.23 C ATOM 983 CE LYS A 59 4.567 -10.424 4.500 1.00 54.25 C ATOM 984 NZ LYS A 59 4.101 -10.449 3.103 1.00 14.33 N ATOM 0 H LYS A 59 3.022 -7.136 6.175 1.00 64.34 H new ATOM 0 HA LYS A 59 0.810 -7.820 4.644 1.00 25.12 H new ATOM 0 HB2 LYS A 59 1.853 -9.027 7.203 1.00 24.32 H new ATOM 0 HB3 LYS A 59 0.453 -9.678 6.373 1.00 24.32 H new ATOM 0 HG2 LYS A 59 2.251 -11.001 5.695 1.00 73.01 H new ATOM 0 HG3 LYS A 59 1.907 -9.953 4.333 1.00 73.01 H new ATOM 0 HD2 LYS A 59 3.780 -8.486 4.961 1.00 42.23 H new ATOM 0 HD3 LYS A 59 4.107 -9.479 6.367 1.00 42.23 H new ATOM 0 HE2 LYS A 59 5.607 -10.098 4.532 1.00 54.25 H new ATOM 0 HE3 LYS A 59 4.536 -11.432 4.913 1.00 54.25 H new ATOM 0 HZ1 LYS A 59 3.765 -11.404 2.866 1.00 14.33 H new ATOM 0 HZ2 LYS A 59 3.323 -9.769 2.984 1.00 14.33 H new ATOM 0 HZ3 LYS A 59 4.886 -10.192 2.471 1.00 14.33 H new ATOM 998 N ARG A 60 0.196 -6.655 7.648 1.00 54.12 N ATOM 999 CA ARG A 60 -0.776 -6.089 8.525 1.00 74.45 C ATOM 1000 C ARG A 60 -1.544 -5.013 7.785 1.00 53.12 C ATOM 1001 O ARG A 60 -2.736 -5.067 7.716 1.00 60.50 O ATOM 1002 CB ARG A 60 -0.072 -5.476 9.736 1.00 34.32 C ATOM 1003 CG ARG A 60 -0.996 -4.985 10.817 1.00 73.20 C ATOM 1004 CD ARG A 60 -1.699 -6.141 11.486 1.00 34.21 C ATOM 1005 NE ARG A 60 -0.749 -7.027 12.183 1.00 30.53 N ATOM 1006 CZ ARG A 60 -1.035 -8.240 12.679 1.00 1.13 C ATOM 1007 NH1 ARG A 60 -2.225 -8.788 12.481 1.00 52.44 N ATOM 1008 NH2 ARG A 60 -0.111 -8.905 13.352 1.00 3.01 N ATOM 0 H ARG A 60 1.153 -6.579 7.991 1.00 54.12 H new ATOM 0 HA ARG A 60 -1.465 -6.864 8.863 1.00 74.45 H new ATOM 0 HB2 ARG A 60 0.602 -6.219 10.162 1.00 34.32 H new ATOM 0 HB3 ARG A 60 0.545 -4.643 9.398 1.00 34.32 H new ATOM 0 HG2 ARG A 60 -0.429 -4.420 11.557 1.00 73.20 H new ATOM 0 HG3 ARG A 60 -1.732 -4.303 10.391 1.00 73.20 H new ATOM 0 HD2 ARG A 60 -2.430 -5.759 12.198 1.00 34.21 H new ATOM 0 HD3 ARG A 60 -2.250 -6.713 10.740 1.00 34.21 H new ATOM 0 HE ARG A 60 0.207 -6.689 12.298 1.00 30.53 H new ATOM 0 HH11 ARG A 60 -2.935 -8.287 11.947 1.00 52.44 H new ATOM 0 HH12 ARG A 60 -2.431 -9.711 12.863 1.00 52.44 H new ATOM 0 HH21 ARG A 60 0.813 -8.495 13.491 1.00 3.01 H new ATOM 0 HH22 ARG A 60 -0.322 -9.828 13.732 1.00 3.01 H new ATOM 1022 N PHE A 61 -0.814 -4.083 7.184 1.00 64.54 N ATOM 1023 CA PHE A 61 -1.387 -2.941 6.472 1.00 44.33 C ATOM 1024 C PHE A 61 -2.251 -3.409 5.300 1.00 14.11 C ATOM 1025 O PHE A 61 -3.313 -2.866 5.060 1.00 64.42 O ATOM 1026 CB PHE A 61 -0.260 -2.048 5.951 1.00 73.00 C ATOM 1027 CG PHE A 61 -0.682 -0.658 5.487 1.00 45.01 C ATOM 1028 CD1 PHE A 61 -1.135 -0.423 4.195 1.00 51.44 C ATOM 1029 CD2 PHE A 61 -0.602 0.420 6.359 1.00 54.40 C ATOM 1030 CE1 PHE A 61 -1.494 0.857 3.791 1.00 72.30 C ATOM 1031 CE2 PHE A 61 -0.969 1.695 5.957 1.00 22.24 C ATOM 1032 CZ PHE A 61 -1.409 1.914 4.678 1.00 12.21 C ATOM 0 H PHE A 61 0.206 -4.098 7.175 1.00 64.54 H new ATOM 0 HA PHE A 61 -2.016 -2.380 7.164 1.00 44.33 H new ATOM 0 HB2 PHE A 61 0.486 -1.938 6.738 1.00 73.00 H new ATOM 0 HB3 PHE A 61 0.227 -2.557 5.119 1.00 73.00 H new ATOM 0 HD1 PHE A 61 -1.209 -1.244 3.497 1.00 51.44 H new ATOM 0 HD2 PHE A 61 -0.248 0.262 7.367 1.00 54.40 H new ATOM 0 HE1 PHE A 61 -1.840 1.027 2.782 1.00 72.30 H new ATOM 0 HE2 PHE A 61 -0.908 2.518 6.654 1.00 22.24 H new ATOM 0 HZ PHE A 61 -1.688 2.909 4.364 1.00 12.21 H new ATOM 1042 N ILE A 62 -1.784 -4.421 4.572 1.00 4.23 N ATOM 1043 CA ILE A 62 -2.528 -4.937 3.426 1.00 30.23 C ATOM 1044 C ILE A 62 -3.816 -5.573 3.886 1.00 65.12 C ATOM 1045 O ILE A 62 -4.896 -5.257 3.381 1.00 31.52 O ATOM 1046 CB ILE A 62 -1.722 -5.982 2.607 1.00 34.41 C ATOM 1047 CG1 ILE A 62 -0.375 -5.413 2.172 1.00 23.05 C ATOM 1048 CG2 ILE A 62 -2.523 -6.429 1.387 1.00 35.44 C ATOM 1049 CD1 ILE A 62 -0.479 -4.124 1.413 1.00 14.13 C ATOM 0 H ILE A 62 -0.900 -4.897 4.754 1.00 4.23 H new ATOM 0 HA ILE A 62 -2.729 -4.084 2.778 1.00 30.23 H new ATOM 0 HB ILE A 62 -1.538 -6.846 3.246 1.00 34.41 H new ATOM 0 HG12 ILE A 62 0.244 -5.255 3.055 1.00 23.05 H new ATOM 0 HG13 ILE A 62 0.136 -6.149 1.552 1.00 23.05 H new ATOM 0 HG21 ILE A 62 -1.947 -7.161 0.822 1.00 35.44 H new ATOM 0 HG22 ILE A 62 -3.461 -6.878 1.712 1.00 35.44 H new ATOM 0 HG23 ILE A 62 -2.734 -5.567 0.754 1.00 35.44 H new ATOM 0 HD11 ILE A 62 0.519 -3.782 1.138 1.00 14.13 H new ATOM 0 HD12 ILE A 62 -1.071 -4.280 0.511 1.00 14.13 H new ATOM 0 HD13 ILE A 62 -0.961 -3.372 2.038 1.00 14.13 H new ATOM 1061 N LYS A 63 -3.709 -6.454 4.856 1.00 42.33 N ATOM 1062 CA LYS A 63 -4.889 -7.134 5.408 1.00 72.00 C ATOM 1063 C LYS A 63 -5.814 -6.136 6.067 1.00 10.21 C ATOM 1064 O LYS A 63 -7.038 -6.295 6.051 1.00 70.42 O ATOM 1065 CB LYS A 63 -4.498 -8.244 6.409 1.00 71.22 C ATOM 1066 CG LYS A 63 -4.148 -9.662 5.849 1.00 10.31 C ATOM 1067 CD LYS A 63 -3.035 -9.722 4.790 1.00 35.41 C ATOM 1068 CE LYS A 63 -3.519 -9.310 3.399 1.00 53.40 C ATOM 1069 NZ LYS A 63 -4.592 -10.205 2.889 1.00 22.33 N ATOM 0 H LYS A 63 -2.825 -6.725 5.287 1.00 42.33 H new ATOM 0 HA LYS A 63 -5.410 -7.609 4.577 1.00 72.00 H new ATOM 0 HB2 LYS A 63 -3.638 -7.890 6.978 1.00 71.22 H new ATOM 0 HB3 LYS A 63 -5.321 -8.360 7.114 1.00 71.22 H new ATOM 0 HG2 LYS A 63 -3.859 -10.298 6.686 1.00 10.31 H new ATOM 0 HG3 LYS A 63 -5.052 -10.093 5.419 1.00 10.31 H new ATOM 0 HD2 LYS A 63 -2.216 -9.070 5.093 1.00 35.41 H new ATOM 0 HD3 LYS A 63 -2.636 -10.735 4.746 1.00 35.41 H new ATOM 0 HE2 LYS A 63 -3.889 -8.285 3.434 1.00 53.40 H new ATOM 0 HE3 LYS A 63 -2.678 -9.322 2.705 1.00 53.40 H new ATOM 0 HZ1 LYS A 63 -4.643 -10.131 1.853 1.00 22.33 H new ATOM 0 HZ2 LYS A 63 -4.380 -11.188 3.156 1.00 22.33 H new ATOM 0 HZ3 LYS A 63 -5.504 -9.923 3.301 1.00 22.33 H new ATOM 1083 N TRP A 64 -5.225 -5.105 6.606 1.00 0.43 N ATOM 1084 CA TRP A 64 -5.936 -4.064 7.285 1.00 15.11 C ATOM 1085 C TRP A 64 -6.683 -3.216 6.266 1.00 1.51 C ATOM 1086 O TRP A 64 -7.856 -2.940 6.442 1.00 23.22 O ATOM 1087 CB TRP A 64 -4.949 -3.190 8.034 1.00 62.35 C ATOM 1088 CG TRP A 64 -5.332 -2.853 9.431 1.00 21.43 C ATOM 1089 CD1 TRP A 64 -4.787 -3.384 10.564 1.00 51.32 C ATOM 1090 CD2 TRP A 64 -6.323 -1.913 9.858 1.00 51.10 C ATOM 1091 NE1 TRP A 64 -5.383 -2.836 11.668 1.00 25.54 N ATOM 1092 CE2 TRP A 64 -6.326 -1.925 11.265 1.00 44.22 C ATOM 1093 CE3 TRP A 64 -7.204 -1.062 9.189 1.00 53.10 C ATOM 1094 CZ2 TRP A 64 -7.178 -1.120 12.013 1.00 40.53 C ATOM 1095 CZ3 TRP A 64 -8.044 -0.266 9.930 1.00 22.41 C ATOM 1096 CH2 TRP A 64 -8.027 -0.295 11.328 1.00 13.03 C ATOM 0 H TRP A 64 -4.215 -4.964 6.584 1.00 0.43 H new ATOM 0 HA TRP A 64 -6.645 -4.503 7.987 1.00 15.11 H new ATOM 0 HB2 TRP A 64 -3.983 -3.694 8.051 1.00 62.35 H new ATOM 0 HB3 TRP A 64 -4.815 -2.262 7.478 1.00 62.35 H new ATOM 0 HD1 TRP A 64 -4.002 -4.126 10.586 1.00 51.32 H new ATOM 0 HE1 TRP A 64 -5.161 -3.068 12.636 1.00 25.54 H new ATOM 0 HE3 TRP A 64 -7.225 -1.030 8.110 1.00 53.10 H new ATOM 0 HZ2 TRP A 64 -7.170 -1.145 13.093 1.00 40.53 H new ATOM 0 HZ3 TRP A 64 -8.731 0.395 9.423 1.00 22.41 H new ATOM 0 HH2 TRP A 64 -8.698 0.348 11.878 1.00 13.03 H new ATOM 1107 N TYR A 65 -5.994 -2.813 5.176 1.00 1.51 N ATOM 1108 CA TYR A 65 -6.615 -1.986 4.156 1.00 10.24 C ATOM 1109 C TYR A 65 -7.739 -2.709 3.458 1.00 44.35 C ATOM 1110 O TYR A 65 -8.773 -2.121 3.178 1.00 34.24 O ATOM 1111 CB TYR A 65 -5.620 -1.427 3.124 1.00 11.34 C ATOM 1112 CG TYR A 65 -6.321 -0.515 2.129 1.00 11.45 C ATOM 1113 CD1 TYR A 65 -6.832 0.705 2.546 1.00 2.12 C ATOM 1114 CD2 TYR A 65 -6.506 -0.885 0.799 1.00 41.24 C ATOM 1115 CE1 TYR A 65 -7.509 1.530 1.679 1.00 51.14 C ATOM 1116 CE2 TYR A 65 -7.180 -0.049 -0.083 1.00 31.31 C ATOM 1117 CZ TYR A 65 -7.679 1.154 0.373 1.00 22.50 C ATOM 1118 OH TYR A 65 -8.362 1.983 -0.483 1.00 40.30 O ATOM 0 H TYR A 65 -5.019 -3.051 4.994 1.00 1.51 H new ATOM 0 HA TYR A 65 -7.025 -1.131 4.694 1.00 10.24 H new ATOM 0 HB2 TYR A 65 -4.832 -0.875 3.636 1.00 11.34 H new ATOM 0 HB3 TYR A 65 -5.140 -2.250 2.593 1.00 11.34 H new ATOM 0 HD1 TYR A 65 -6.695 1.013 3.572 1.00 2.12 H new ATOM 0 HD2 TYR A 65 -6.122 -1.832 0.449 1.00 41.24 H new ATOM 0 HE1 TYR A 65 -7.906 2.472 2.027 1.00 51.14 H new ATOM 0 HE2 TYR A 65 -7.312 -0.338 -1.115 1.00 31.31 H new ATOM 0 HH TYR A 65 -8.163 2.917 -0.262 1.00 40.30 H new ATOM 1128 N ASN A 66 -7.545 -3.981 3.181 1.00 4.01 N ATOM 1129 CA ASN A 66 -8.596 -4.777 2.554 1.00 64.43 C ATOM 1130 C ASN A 66 -9.803 -4.885 3.461 1.00 15.32 C ATOM 1131 O ASN A 66 -10.938 -4.778 3.005 1.00 1.11 O ATOM 1132 CB ASN A 66 -8.093 -6.154 2.100 1.00 23.43 C ATOM 1133 CG ASN A 66 -7.230 -6.089 0.841 1.00 31.53 C ATOM 1134 OD1 ASN A 66 -7.729 -6.206 -0.268 1.00 24.23 O ATOM 1135 ND2 ASN A 66 -5.948 -5.898 0.996 1.00 73.33 N ATOM 0 H ASN A 66 -6.681 -4.488 3.375 1.00 4.01 H new ATOM 0 HA ASN A 66 -8.905 -4.254 1.649 1.00 64.43 H new ATOM 0 HB2 ASN A 66 -7.516 -6.608 2.906 1.00 23.43 H new ATOM 0 HB3 ASN A 66 -8.948 -6.804 1.915 1.00 23.43 H new ATOM 0 HD21 ASN A 66 -5.338 -5.843 0.180 1.00 73.33 H new ATOM 0 HD22 ASN A 66 -5.556 -5.803 1.933 1.00 73.33 H new ATOM 1142 N ALA A 67 -9.554 -5.051 4.752 1.00 63.10 N ATOM 1143 CA ALA A 67 -10.620 -5.086 5.728 1.00 10.10 C ATOM 1144 C ALA A 67 -11.302 -3.724 5.791 1.00 72.02 C ATOM 1145 O ALA A 67 -12.510 -3.631 5.736 1.00 52.55 O ATOM 1146 CB ALA A 67 -10.086 -5.488 7.090 1.00 74.43 C ATOM 0 H ALA A 67 -8.619 -5.163 5.143 1.00 63.10 H new ATOM 0 HA ALA A 67 -11.354 -5.833 5.426 1.00 10.10 H new ATOM 0 HB1 ALA A 67 -10.904 -5.508 7.810 1.00 74.43 H new ATOM 0 HB2 ALA A 67 -9.634 -6.478 7.026 1.00 74.43 H new ATOM 0 HB3 ALA A 67 -9.335 -4.767 7.414 1.00 74.43 H new ATOM 1152 N TRP A 68 -10.495 -2.687 5.870 1.00 24.54 N ATOM 1153 CA TRP A 68 -10.933 -1.289 5.878 1.00 21.41 C ATOM 1154 C TRP A 68 -11.788 -0.967 4.660 1.00 4.10 C ATOM 1155 O TRP A 68 -12.861 -0.377 4.796 1.00 13.44 O ATOM 1156 CB TRP A 68 -9.673 -0.396 5.969 1.00 1.22 C ATOM 1157 CG TRP A 68 -9.800 1.055 5.572 1.00 50.32 C ATOM 1158 CD1 TRP A 68 -9.771 1.535 4.299 1.00 24.31 C ATOM 1159 CD2 TRP A 68 -9.902 2.210 6.424 1.00 62.43 C ATOM 1160 NE1 TRP A 68 -9.867 2.886 4.299 1.00 1.34 N ATOM 1161 CE2 TRP A 68 -9.947 3.334 5.576 1.00 1.33 C ATOM 1162 CE3 TRP A 68 -9.969 2.412 7.804 1.00 20.45 C ATOM 1163 CZ2 TRP A 68 -10.048 4.627 6.051 1.00 62.13 C ATOM 1164 CZ3 TRP A 68 -10.068 3.712 8.275 1.00 11.12 C ATOM 1165 CH2 TRP A 68 -10.106 4.802 7.390 1.00 12.44 C ATOM 0 H TRP A 68 -9.482 -2.787 5.933 1.00 24.54 H new ATOM 0 HA TRP A 68 -11.571 -1.098 6.741 1.00 21.41 H new ATOM 0 HB2 TRP A 68 -9.314 -0.430 6.997 1.00 1.22 H new ATOM 0 HB3 TRP A 68 -8.900 -0.846 5.346 1.00 1.22 H new ATOM 0 HD1 TRP A 68 -9.684 0.924 3.413 1.00 24.31 H new ATOM 0 HE1 TRP A 68 -9.877 3.475 3.467 1.00 1.34 H new ATOM 0 HE3 TRP A 68 -9.944 1.576 8.487 1.00 20.45 H new ATOM 0 HZ2 TRP A 68 -10.080 5.469 5.376 1.00 62.13 H new ATOM 0 HZ3 TRP A 68 -10.117 3.889 9.339 1.00 11.12 H new ATOM 0 HH2 TRP A 68 -10.183 5.803 7.789 1.00 12.44 H new ATOM 1176 N ASN A 69 -11.329 -1.363 3.488 1.00 15.22 N ATOM 1177 CA ASN A 69 -12.073 -1.130 2.266 1.00 45.53 C ATOM 1178 C ASN A 69 -13.412 -1.822 2.327 1.00 34.25 C ATOM 1179 O ASN A 69 -14.423 -1.209 2.062 1.00 2.43 O ATOM 1180 CB ASN A 69 -11.283 -1.569 1.011 1.00 30.43 C ATOM 1181 CG ASN A 69 -12.090 -1.431 -0.291 1.00 41.13 C ATOM 1182 OD1 ASN A 69 -12.768 -2.369 -0.717 1.00 13.13 O ATOM 1183 ND2 ASN A 69 -12.014 -0.279 -0.929 1.00 40.42 N ATOM 0 H ASN A 69 -10.442 -1.849 3.357 1.00 15.22 H new ATOM 0 HA ASN A 69 -12.235 -0.056 2.180 1.00 45.53 H new ATOM 0 HB2 ASN A 69 -10.375 -0.971 0.933 1.00 30.43 H new ATOM 0 HB3 ASN A 69 -10.972 -2.607 1.130 1.00 30.43 H new ATOM 0 HD21 ASN A 69 -12.525 -0.144 -1.801 1.00 40.42 H new ATOM 0 HD22 ASN A 69 -11.444 0.477 -0.550 1.00 40.42 H new ATOM 1190 N GLU A 70 -13.428 -3.078 2.751 1.00 23.22 N ATOM 1191 CA GLU A 70 -14.676 -3.820 2.824 1.00 15.25 C ATOM 1192 C GLU A 70 -15.594 -3.283 3.924 1.00 62.34 C ATOM 1193 O GLU A 70 -16.812 -3.389 3.820 1.00 31.24 O ATOM 1194 CB GLU A 70 -14.449 -5.324 2.967 1.00 21.33 C ATOM 1195 CG GLU A 70 -13.638 -5.918 1.832 1.00 42.05 C ATOM 1196 CD GLU A 70 -13.569 -7.417 1.873 1.00 22.22 C ATOM 1197 OE1 GLU A 70 -12.899 -7.979 2.759 1.00 4.12 O ATOM 1198 OE2 GLU A 70 -14.162 -8.065 0.984 1.00 65.23 O ATOM 0 H GLU A 70 -12.602 -3.598 3.046 1.00 23.22 H new ATOM 0 HA GLU A 70 -15.184 -3.666 1.872 1.00 15.25 H new ATOM 0 HB2 GLU A 70 -13.939 -5.519 3.910 1.00 21.33 H new ATOM 0 HB3 GLU A 70 -15.415 -5.827 3.017 1.00 21.33 H new ATOM 0 HG2 GLU A 70 -14.073 -5.607 0.882 1.00 42.05 H new ATOM 0 HG3 GLU A 70 -12.626 -5.513 1.867 1.00 42.05 H new ATOM 1205 N LYS A 71 -15.012 -2.696 4.965 1.00 44.14 N ATOM 1206 CA LYS A 71 -15.797 -2.092 6.021 1.00 63.05 C ATOM 1207 C LYS A 71 -16.412 -0.783 5.598 1.00 20.43 C ATOM 1208 O LYS A 71 -17.421 -0.345 6.147 1.00 50.22 O ATOM 1209 CB LYS A 71 -14.985 -1.914 7.262 1.00 14.22 C ATOM 1210 CG LYS A 71 -14.611 -3.236 7.865 1.00 32.41 C ATOM 1211 CD LYS A 71 -14.043 -3.062 9.213 1.00 13.02 C ATOM 1212 CE LYS A 71 -12.727 -2.293 9.199 1.00 60.51 C ATOM 1213 NZ LYS A 71 -12.148 -2.175 10.552 1.00 0.34 N ATOM 0 H LYS A 71 -14.002 -2.629 5.094 1.00 44.14 H new ATOM 0 HA LYS A 71 -16.614 -2.780 6.237 1.00 63.05 H new ATOM 0 HB2 LYS A 71 -14.082 -1.350 7.030 1.00 14.22 H new ATOM 0 HB3 LYS A 71 -15.550 -1.328 7.987 1.00 14.22 H new ATOM 0 HG2 LYS A 71 -15.491 -3.877 7.918 1.00 32.41 H new ATOM 0 HG3 LYS A 71 -13.887 -3.740 7.224 1.00 32.41 H new ATOM 0 HD2 LYS A 71 -14.761 -2.535 9.841 1.00 13.02 H new ATOM 0 HD3 LYS A 71 -13.883 -4.041 9.665 1.00 13.02 H new ATOM 0 HE2 LYS A 71 -12.018 -2.797 8.543 1.00 60.51 H new ATOM 0 HE3 LYS A 71 -12.892 -1.298 8.786 1.00 60.51 H new ATOM 0 HZ1 LYS A 71 -11.254 -1.646 10.502 1.00 0.34 H new ATOM 0 HZ2 LYS A 71 -12.814 -1.671 11.172 1.00 0.34 H new ATOM 0 HZ3 LYS A 71 -11.968 -3.124 10.936 1.00 0.34 H new ATOM 1227 N ARG A 72 -15.802 -0.142 4.632 1.00 32.04 N ATOM 1228 CA ARG A 72 -16.328 1.096 4.095 1.00 23.53 C ATOM 1229 C ARG A 72 -17.275 0.825 2.951 1.00 33.11 C ATOM 1230 O ARG A 72 -18.421 1.262 2.952 1.00 3.31 O ATOM 1231 CB ARG A 72 -15.218 1.982 3.556 1.00 24.30 C ATOM 1232 CG ARG A 72 -14.226 2.512 4.564 1.00 23.53 C ATOM 1233 CD ARG A 72 -13.229 3.394 3.845 1.00 54.22 C ATOM 1234 NE ARG A 72 -13.925 4.463 3.112 1.00 61.03 N ATOM 1235 CZ ARG A 72 -13.518 5.009 1.954 1.00 30.14 C ATOM 1236 NH1 ARG A 72 -12.328 4.704 1.434 1.00 64.23 N ATOM 1237 NH2 ARG A 72 -14.296 5.877 1.336 1.00 45.54 N ATOM 0 H ARG A 72 -14.935 -0.457 4.197 1.00 32.04 H new ATOM 0 HA ARG A 72 -16.844 1.595 4.915 1.00 23.53 H new ATOM 0 HB2 ARG A 72 -14.669 1.419 2.801 1.00 24.30 H new ATOM 0 HB3 ARG A 72 -15.676 2.832 3.049 1.00 24.30 H new ATOM 0 HG2 ARG A 72 -14.741 3.079 5.340 1.00 23.53 H new ATOM 0 HG3 ARG A 72 -13.713 1.687 5.059 1.00 23.53 H new ATOM 0 HD2 ARG A 72 -12.535 3.830 4.564 1.00 54.22 H new ATOM 0 HD3 ARG A 72 -12.637 2.795 3.153 1.00 54.22 H new ATOM 0 HE ARG A 72 -14.790 4.820 3.518 1.00 61.03 H new ATOM 0 HH11 ARG A 72 -11.714 4.048 1.916 1.00 64.23 H new ATOM 0 HH12 ARG A 72 -12.033 5.127 0.554 1.00 64.23 H new ATOM 0 HH21 ARG A 72 -15.199 6.129 1.738 1.00 45.54 H new ATOM 0 HH22 ARG A 72 -13.994 6.296 0.456 1.00 45.54 H new ATOM 1251 N ARG A 73 -16.774 0.083 1.995 1.00 51.03 N ATOM 1252 CA ARG A 73 -17.421 -0.165 0.736 1.00 53.42 C ATOM 1253 C ARG A 73 -18.602 -1.070 0.921 1.00 70.54 C ATOM 1254 O ARG A 73 -19.706 -0.752 0.480 1.00 21.13 O ATOM 1255 CB ARG A 73 -16.400 -0.822 -0.181 1.00 10.20 C ATOM 1256 CG ARG A 73 -16.818 -1.047 -1.607 1.00 62.35 C ATOM 1257 CD ARG A 73 -15.697 -1.743 -2.347 1.00 61.50 C ATOM 1258 NE ARG A 73 -15.955 -1.877 -3.768 1.00 3.44 N ATOM 1259 CZ ARG A 73 -15.319 -2.719 -4.577 1.00 2.34 C ATOM 1260 NH1 ARG A 73 -14.423 -3.580 -4.078 1.00 54.03 N ATOM 1261 NH2 ARG A 73 -15.579 -2.711 -5.882 1.00 3.41 N ATOM 0 H ARG A 73 -15.870 -0.381 2.078 1.00 51.03 H new ATOM 0 HA ARG A 73 -17.782 0.769 0.306 1.00 53.42 H new ATOM 0 HB2 ARG A 73 -15.500 -0.207 -0.183 1.00 10.20 H new ATOM 0 HB3 ARG A 73 -16.127 -1.785 0.249 1.00 10.20 H new ATOM 0 HG2 ARG A 73 -17.724 -1.652 -1.642 1.00 62.35 H new ATOM 0 HG3 ARG A 73 -17.051 -0.096 -2.085 1.00 62.35 H new ATOM 0 HD2 ARG A 73 -14.772 -1.185 -2.202 1.00 61.50 H new ATOM 0 HD3 ARG A 73 -15.544 -2.732 -1.916 1.00 61.50 H new ATOM 0 HE ARG A 73 -16.676 -1.282 -4.176 1.00 3.44 H new ATOM 0 HH11 ARG A 73 -14.228 -3.590 -3.077 1.00 54.03 H new ATOM 0 HH12 ARG A 73 -13.935 -4.226 -4.699 1.00 54.03 H new ATOM 0 HH21 ARG A 73 -16.266 -2.059 -6.261 1.00 3.41 H new ATOM 0 HH22 ARG A 73 -15.091 -3.357 -6.503 1.00 3.41 H new