USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 439 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 421 LYS NZ :NH3+ 179:sc= 0.0476 (180deg=0) USER MOD Set 1.2: A 439 THR OG1 : rot 140:sc= 0.0497 USER MOD Single : A 423 TYR OH : rot 180:sc= 0 USER MOD Single : A 424 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 427 GLN : amide:sc= -4.02! C(o=-4!,f=-2.9!) USER MOD Single : A 429 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 430 ASN : amide:sc= -0.281 K(o=-0.28,f=-2.7) USER MOD Single : A 431 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD Single : A 435 GLN : amide:sc= -0.88 K(o=-0.88,f=0) USER MOD Single : A 437 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 LYS NZ :NH3+ 174:sc= -0.531 (180deg=-0.789) USER MOD Single : A 445 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 446 GLN : amide:sc= -0.375 X(o=-0.37,f=-0.086) USER MOD Single : A 447 HIS : no HE2:sc= -12.6! C(o=-13!,f=-10!) USER MOD Single : A 449 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 450 ASN : amide:sc= -3.84! C(o=-3.8!,f=-13!) USER MOD Single : A 456 SER OG : rot 102:sc= 1.23 USER MOD Single : A 461 LYS NZ :NH3+ -173:sc= -3.55 (180deg=-3.82) USER MOD Single : A 462 THR OG1 : rot 141:sc= -2.21 USER MOD Single : A 466 CYS SG : rot 78:sc= -0.319 USER MOD Single : A 469 TYR OH : rot -60:sc= -4.36! USER MOD Single : A 470 TYR OH : rot 180:sc= 0 USER MOD Single : A 471 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 111 N LYS A 421 -0.161 -4.880 8.557 1.00 10.00 N ATOM 112 CA LYS A 421 -1.050 -5.047 7.409 1.00 10.00 C ATOM 113 C LYS A 421 -0.262 -5.205 6.117 1.00 10.00 C ATOM 114 O LYS A 421 0.222 -4.228 5.551 1.00 10.00 O ATOM 115 CB LYS A 421 -2.007 -3.862 7.286 1.00 10.00 C ATOM 116 CG LYS A 421 -2.650 -3.747 5.909 1.00 10.00 C ATOM 117 CD LYS A 421 -3.956 -4.509 5.821 1.00 10.00 C ATOM 118 CE LYS A 421 -4.951 -4.052 6.876 1.00 10.00 C ATOM 119 NZ LYS A 421 -6.350 -4.071 6.367 1.00 10.00 N ATOM 0 HA LYS A 421 -1.628 -5.956 7.576 1.00 10.00 H new ATOM 0 HB2 LYS A 421 -2.790 -3.957 8.038 1.00 10.00 H new ATOM 0 HB3 LYS A 421 -1.465 -2.942 7.504 1.00 10.00 H new ATOM 0 HG2 LYS A 421 -2.828 -2.696 5.680 1.00 10.00 H new ATOM 0 HG3 LYS A 421 -1.960 -4.125 5.155 1.00 10.00 H new ATOM 0 HD2 LYS A 421 -4.389 -4.373 4.830 1.00 10.00 H new ATOM 0 HD3 LYS A 421 -3.763 -5.575 5.941 1.00 10.00 H new ATOM 0 HE2 LYS A 421 -4.874 -4.698 7.751 1.00 10.00 H new ATOM 0 HE3 LYS A 421 -4.697 -3.043 7.201 1.00 10.00 H new ATOM 0 HZ1 LYS A 421 -6.998 -3.769 7.122 1.00 10.00 H new ATOM 0 HZ2 LYS A 421 -6.434 -3.422 5.558 1.00 10.00 H new ATOM 0 HZ3 LYS A 421 -6.596 -5.035 6.064 1.00 10.00 H new ATOM 133 N VAL A 422 -0.161 -6.441 5.651 1.00 10.00 N ATOM 134 CA VAL A 422 0.547 -6.746 4.420 1.00 10.00 C ATOM 135 C VAL A 422 0.585 -8.255 4.210 1.00 10.00 C ATOM 136 O VAL A 422 0.234 -8.767 3.150 1.00 10.00 O ATOM 137 CB VAL A 422 1.972 -6.149 4.432 1.00 10.00 C ATOM 138 CG1 VAL A 422 2.953 -7.027 5.199 1.00 10.00 C ATOM 139 CG2 VAL A 422 2.456 -5.903 3.013 1.00 10.00 C ATOM 0 H VAL A 422 -0.565 -7.255 6.113 1.00 10.00 H new ATOM 0 HA VAL A 422 0.013 -6.289 3.587 1.00 10.00 H new ATOM 0 HB VAL A 422 1.924 -5.194 4.955 1.00 10.00 H new ATOM 0 HG11 VAL A 422 3.942 -6.569 5.181 1.00 10.00 H new ATOM 0 HG12 VAL A 422 2.619 -7.130 6.231 1.00 10.00 H new ATOM 0 HG13 VAL A 422 3.001 -8.011 4.734 1.00 10.00 H new ATOM 0 HG21 VAL A 422 3.461 -5.482 3.039 1.00 10.00 H new ATOM 0 HG22 VAL A 422 2.471 -6.845 2.465 1.00 10.00 H new ATOM 0 HG23 VAL A 422 1.783 -5.205 2.515 1.00 10.00 H new ATOM 149 N TYR A 423 0.977 -8.947 5.265 1.00 10.00 N ATOM 150 CA TYR A 423 1.034 -10.400 5.300 1.00 10.00 C ATOM 151 C TYR A 423 -0.232 -11.002 4.698 1.00 10.00 C ATOM 152 O TYR A 423 -0.210 -12.109 4.159 1.00 10.00 O ATOM 153 CB TYR A 423 1.170 -10.849 6.761 1.00 10.00 C ATOM 154 CG TYR A 423 0.104 -10.249 7.661 1.00 10.00 C ATOM 155 CD1 TYR A 423 -0.027 -8.873 7.771 1.00 10.00 C ATOM 156 CD2 TYR A 423 -0.774 -11.045 8.383 1.00 10.00 C ATOM 157 CE1 TYR A 423 -0.984 -8.298 8.558 1.00 10.00 C ATOM 158 CE2 TYR A 423 -1.750 -10.476 9.186 1.00 10.00 C ATOM 159 CZ TYR A 423 -1.852 -9.100 9.269 1.00 10.00 C ATOM 160 OH TYR A 423 -2.819 -8.530 10.064 1.00 10.00 O ATOM 0 H TYR A 423 1.270 -8.508 6.138 1.00 10.00 H new ATOM 0 HA TYR A 423 1.889 -10.741 4.716 1.00 10.00 H new ATOM 0 HB2 TYR A 423 1.111 -11.936 6.810 1.00 10.00 H new ATOM 0 HB3 TYR A 423 2.155 -10.567 7.133 1.00 10.00 H new ATOM 0 HD1 TYR A 423 0.648 -8.237 7.218 1.00 10.00 H new ATOM 0 HD2 TYR A 423 -0.696 -12.120 8.318 1.00 10.00 H new ATOM 0 HE1 TYR A 423 -1.060 -7.223 8.623 1.00 10.00 H new ATOM 0 HE2 TYR A 423 -2.428 -11.105 9.744 1.00 10.00 H new ATOM 0 HH TYR A 423 -3.346 -9.235 10.494 1.00 10.00 H new ATOM 170 N LYS A 424 -1.340 -10.265 4.795 1.00 10.00 N ATOM 171 CA LYS A 424 -2.611 -10.735 4.259 1.00 10.00 C ATOM 172 C LYS A 424 -2.600 -10.696 2.736 1.00 10.00 C ATOM 173 O LYS A 424 -3.271 -11.490 2.078 1.00 10.00 O ATOM 174 CB LYS A 424 -3.762 -9.882 4.795 1.00 10.00 C ATOM 175 CG LYS A 424 -4.291 -10.351 6.140 1.00 10.00 C ATOM 176 CD LYS A 424 -5.107 -11.627 6.005 1.00 10.00 C ATOM 177 CE LYS A 424 -5.994 -11.852 7.218 1.00 10.00 C ATOM 178 NZ LYS A 424 -6.346 -13.288 7.390 1.00 10.00 N ATOM 0 H LYS A 424 -1.380 -9.347 5.237 1.00 10.00 H new ATOM 0 HA LYS A 424 -2.756 -11.767 4.580 1.00 10.00 H new ATOM 0 HB2 LYS A 424 -3.426 -8.849 4.886 1.00 10.00 H new ATOM 0 HB3 LYS A 424 -4.577 -9.889 4.071 1.00 10.00 H new ATOM 0 HG2 LYS A 424 -3.457 -10.522 6.820 1.00 10.00 H new ATOM 0 HG3 LYS A 424 -4.908 -9.569 6.582 1.00 10.00 H new ATOM 0 HD2 LYS A 424 -5.723 -11.573 5.107 1.00 10.00 H new ATOM 0 HD3 LYS A 424 -4.437 -12.477 5.880 1.00 10.00 H new ATOM 0 HE2 LYS A 424 -5.484 -11.494 8.112 1.00 10.00 H new ATOM 0 HE3 LYS A 424 -6.906 -11.265 7.115 1.00 10.00 H new ATOM 0 HZ1 LYS A 424 -6.952 -13.399 8.228 1.00 10.00 H new ATOM 0 HZ2 LYS A 424 -6.855 -13.624 6.548 1.00 10.00 H new ATOM 0 HZ3 LYS A 424 -5.477 -13.846 7.514 1.00 10.00 H new ATOM 192 N ASP A 425 -1.837 -9.760 2.182 1.00 10.00 N ATOM 193 CA ASP A 425 -1.743 -9.608 0.738 1.00 10.00 C ATOM 194 C ASP A 425 -0.331 -9.254 0.296 1.00 10.00 C ATOM 195 O ASP A 425 -0.074 -8.151 -0.185 1.00 10.00 O ATOM 196 CB ASP A 425 -2.731 -8.552 0.266 1.00 10.00 C ATOM 197 CG ASP A 425 -4.071 -9.159 -0.107 1.00 10.00 C ATOM 198 OD1 ASP A 425 -4.169 -9.765 -1.195 1.00 10.00 O ATOM 199 OD2 ASP A 425 -5.022 -9.033 0.694 1.00 10.00 O ATOM 0 H ASP A 425 -1.275 -9.095 2.713 1.00 10.00 H new ATOM 0 HA ASP A 425 -1.992 -10.566 0.282 1.00 10.00 H new ATOM 0 HB2 ASP A 425 -2.874 -7.811 1.053 1.00 10.00 H new ATOM 0 HB3 ASP A 425 -2.318 -8.027 -0.595 1.00 10.00 H new ATOM 204 N ARG A 426 0.574 -10.216 0.429 1.00 10.00 N ATOM 205 CA ARG A 426 1.952 -10.024 0.006 1.00 10.00 C ATOM 206 C ARG A 426 2.069 -10.290 -1.493 1.00 10.00 C ATOM 207 O ARG A 426 3.087 -9.982 -2.112 1.00 10.00 O ATOM 208 CB ARG A 426 2.893 -10.947 0.786 1.00 10.00 C ATOM 209 CG ARG A 426 3.063 -10.556 2.246 1.00 10.00 C ATOM 210 CD ARG A 426 3.844 -11.611 3.016 1.00 10.00 C ATOM 211 NE ARG A 426 5.229 -11.207 3.252 1.00 10.00 N ATOM 212 CZ ARG A 426 5.607 -10.386 4.229 1.00 10.00 C ATOM 213 NH1 ARG A 426 4.707 -9.867 5.056 1.00 10.00 N ATOM 214 NH2 ARG A 426 6.888 -10.081 4.380 1.00 10.00 N ATOM 0 H ARG A 426 0.377 -11.135 0.826 1.00 10.00 H new ATOM 0 HA ARG A 426 2.243 -8.994 0.212 1.00 10.00 H new ATOM 0 HB2 ARG A 426 2.512 -11.967 0.734 1.00 10.00 H new ATOM 0 HB3 ARG A 426 3.870 -10.947 0.303 1.00 10.00 H new ATOM 0 HG2 ARG A 426 3.581 -9.599 2.310 1.00 10.00 H new ATOM 0 HG3 ARG A 426 2.083 -10.420 2.704 1.00 10.00 H new ATOM 0 HD2 ARG A 426 3.354 -11.799 3.971 1.00 10.00 H new ATOM 0 HD3 ARG A 426 3.830 -12.549 2.461 1.00 10.00 H new ATOM 0 HE ARG A 426 5.949 -11.576 2.631 1.00 10.00 H new ATOM 0 HH11 ARG A 426 3.720 -10.097 4.945 1.00 10.00 H new ATOM 0 HH12 ARG A 426 5.003 -9.238 5.803 1.00 10.00 H new ATOM 0 HH21 ARG A 426 7.584 -10.475 3.747 1.00 10.00 H new ATOM 0 HH22 ARG A 426 7.178 -9.452 5.129 1.00 10.00 H new ATOM 228 N GLN A 427 1.002 -10.846 -2.075 1.00 10.00 N ATOM 229 CA GLN A 427 0.967 -11.134 -3.503 1.00 10.00 C ATOM 230 C GLN A 427 0.191 -10.052 -4.242 1.00 10.00 C ATOM 231 O GLN A 427 -0.189 -10.207 -5.403 1.00 10.00 O ATOM 232 CB GLN A 427 0.354 -12.512 -3.765 1.00 10.00 C ATOM 233 CG GLN A 427 0.850 -13.594 -2.814 1.00 10.00 C ATOM 234 CD GLN A 427 0.245 -13.480 -1.427 1.00 10.00 C ATOM 235 OE1 GLN A 427 -0.972 -13.556 -1.258 1.00 10.00 O ATOM 236 NE2 GLN A 427 1.098 -13.296 -0.424 1.00 10.00 N ATOM 0 H GLN A 427 0.152 -11.104 -1.574 1.00 10.00 H new ATOM 0 HA GLN A 427 1.991 -11.143 -3.877 1.00 10.00 H new ATOM 0 HB2 GLN A 427 -0.731 -12.439 -3.684 1.00 10.00 H new ATOM 0 HB3 GLN A 427 0.578 -12.811 -4.789 1.00 10.00 H new ATOM 0 HG2 GLN A 427 0.613 -14.573 -3.230 1.00 10.00 H new ATOM 0 HG3 GLN A 427 1.936 -13.535 -2.738 1.00 10.00 H new ATOM 0 HE21 GLN A 427 2.099 -13.239 -0.610 1.00 10.00 H new ATOM 0 HE22 GLN A 427 0.751 -13.212 0.532 1.00 10.00 H new ATOM 245 N VAL A 428 -0.007 -8.949 -3.545 1.00 10.00 N ATOM 246 CA VAL A 428 -0.704 -7.785 -4.080 1.00 10.00 C ATOM 247 C VAL A 428 0.286 -6.869 -4.766 1.00 10.00 C ATOM 248 O VAL A 428 -0.042 -6.199 -5.740 1.00 10.00 O ATOM 249 CB VAL A 428 -1.426 -7.033 -2.953 1.00 10.00 C ATOM 250 CG1 VAL A 428 -1.256 -5.521 -3.076 1.00 10.00 C ATOM 251 CG2 VAL A 428 -2.894 -7.419 -2.928 1.00 10.00 C ATOM 0 H VAL A 428 0.312 -8.831 -2.584 1.00 10.00 H new ATOM 0 HA VAL A 428 -1.446 -8.118 -4.806 1.00 10.00 H new ATOM 0 HB VAL A 428 -0.969 -7.325 -2.007 1.00 10.00 H new ATOM 0 HG11 VAL A 428 -1.783 -5.028 -2.259 1.00 10.00 H new ATOM 0 HG12 VAL A 428 -0.197 -5.269 -3.029 1.00 10.00 H new ATOM 0 HG13 VAL A 428 -1.667 -5.185 -4.028 1.00 10.00 H new ATOM 0 HG21 VAL A 428 -3.398 -6.881 -2.125 1.00 10.00 H new ATOM 0 HG22 VAL A 428 -3.354 -7.162 -3.882 1.00 10.00 H new ATOM 0 HG23 VAL A 428 -2.985 -8.492 -2.758 1.00 10.00 H new ATOM 261 N MET A 429 1.502 -6.854 -4.246 1.00 10.00 N ATOM 262 CA MET A 429 2.570 -6.031 -4.816 1.00 10.00 C ATOM 263 C MET A 429 2.509 -6.062 -6.347 1.00 10.00 C ATOM 264 O MET A 429 2.823 -5.077 -7.016 1.00 10.00 O ATOM 265 CB MET A 429 3.937 -6.530 -4.343 1.00 10.00 C ATOM 266 CG MET A 429 4.305 -7.905 -4.877 1.00 10.00 C ATOM 267 SD MET A 429 5.399 -8.812 -3.767 1.00 10.00 S ATOM 268 CE MET A 429 5.610 -10.341 -4.675 1.00 10.00 C ATOM 0 H MET A 429 1.780 -7.400 -3.431 1.00 10.00 H new ATOM 0 HA MET A 429 2.430 -5.005 -4.477 1.00 10.00 H new ATOM 0 HB2 MET A 429 4.701 -5.815 -4.649 1.00 10.00 H new ATOM 0 HB3 MET A 429 3.946 -6.559 -3.253 1.00 10.00 H new ATOM 0 HG2 MET A 429 3.395 -8.484 -5.037 1.00 10.00 H new ATOM 0 HG3 MET A 429 4.788 -7.796 -5.848 1.00 10.00 H new ATOM 0 HE1 MET A 429 6.264 -11.009 -4.115 1.00 10.00 H new ATOM 0 HE2 MET A 429 4.640 -10.817 -4.816 1.00 10.00 H new ATOM 0 HE3 MET A 429 6.054 -10.128 -5.647 1.00 10.00 H new ATOM 278 N ASN A 430 2.084 -7.206 -6.885 1.00 10.00 N ATOM 279 CA ASN A 430 1.956 -7.389 -8.327 1.00 10.00 C ATOM 280 C ASN A 430 0.506 -7.709 -8.696 1.00 10.00 C ATOM 281 O ASN A 430 0.241 -8.405 -9.677 1.00 10.00 O ATOM 282 CB ASN A 430 2.874 -8.519 -8.796 1.00 10.00 C ATOM 283 CG ASN A 430 4.237 -8.014 -9.229 1.00 10.00 C ATOM 284 OD1 ASN A 430 4.656 -6.920 -8.851 1.00 10.00 O ATOM 285 ND2 ASN A 430 4.938 -8.813 -10.026 1.00 10.00 N ATOM 0 H ASN A 430 1.821 -8.025 -6.336 1.00 10.00 H new ATOM 0 HA ASN A 430 2.248 -6.463 -8.823 1.00 10.00 H new ATOM 0 HB2 ASN A 430 2.997 -9.242 -7.990 1.00 10.00 H new ATOM 0 HB3 ASN A 430 2.403 -9.045 -9.627 1.00 10.00 H new ATOM 0 HD21 ASN A 430 5.862 -8.528 -10.349 1.00 10.00 H new ATOM 0 HD22 ASN A 430 4.552 -9.712 -10.315 1.00 10.00 H new ATOM 292 N MET A 431 -0.423 -7.194 -7.893 1.00 10.00 N ATOM 293 CA MET A 431 -1.857 -7.404 -8.094 1.00 10.00 C ATOM 294 C MET A 431 -2.633 -7.026 -6.832 1.00 10.00 C ATOM 295 O MET A 431 -3.153 -7.890 -6.126 1.00 10.00 O ATOM 296 CB MET A 431 -2.150 -8.861 -8.455 1.00 10.00 C ATOM 297 CG MET A 431 -2.393 -9.085 -9.939 1.00 10.00 C ATOM 298 SD MET A 431 -3.862 -10.081 -10.263 1.00 10.00 S ATOM 299 CE MET A 431 -3.165 -11.402 -11.250 1.00 10.00 C ATOM 0 H MET A 431 -0.202 -6.617 -7.081 1.00 10.00 H new ATOM 0 HA MET A 431 -2.176 -6.766 -8.919 1.00 10.00 H new ATOM 0 HB2 MET A 431 -1.312 -9.481 -8.135 1.00 10.00 H new ATOM 0 HB3 MET A 431 -3.025 -9.195 -7.898 1.00 10.00 H new ATOM 0 HG2 MET A 431 -2.497 -8.120 -10.435 1.00 10.00 H new ATOM 0 HG3 MET A 431 -1.523 -9.576 -10.375 1.00 10.00 H new ATOM 0 HE1 MET A 431 -3.953 -12.102 -11.529 1.00 10.00 H new ATOM 0 HE2 MET A 431 -2.714 -10.985 -12.150 1.00 10.00 H new ATOM 0 HE3 MET A 431 -2.403 -11.925 -10.672 1.00 10.00 H new ATOM 309 N TRP A 432 -2.714 -5.730 -6.563 1.00 10.00 N ATOM 310 CA TRP A 432 -3.430 -5.227 -5.393 1.00 10.00 C ATOM 311 C TRP A 432 -4.917 -5.425 -5.571 1.00 10.00 C ATOM 312 O TRP A 432 -5.515 -4.973 -6.548 1.00 10.00 O ATOM 313 CB TRP A 432 -3.107 -3.752 -5.134 1.00 10.00 C ATOM 314 CG TRP A 432 -1.680 -3.370 -5.425 1.00 10.00 C ATOM 315 CD1 TRP A 432 -1.054 -3.427 -6.630 1.00 10.00 C ATOM 316 CD2 TRP A 432 -0.706 -2.869 -4.497 1.00 10.00 C ATOM 317 NE1 TRP A 432 0.233 -2.972 -6.520 1.00 10.00 N ATOM 318 CE2 TRP A 432 0.472 -2.623 -5.224 1.00 10.00 C ATOM 319 CE3 TRP A 432 -0.719 -2.595 -3.133 1.00 10.00 C ATOM 320 CZ2 TRP A 432 1.623 -2.112 -4.633 1.00 10.00 C ATOM 321 CZ3 TRP A 432 0.426 -2.092 -2.541 1.00 10.00 C ATOM 322 CH2 TRP A 432 1.581 -1.850 -3.292 1.00 10.00 C ATOM 0 H TRP A 432 -2.291 -5.003 -7.141 1.00 10.00 H new ATOM 0 HA TRP A 432 -3.101 -5.793 -4.522 1.00 10.00 H new ATOM 0 HB2 TRP A 432 -3.767 -3.135 -5.743 1.00 10.00 H new ATOM 0 HB3 TRP A 432 -3.327 -3.521 -4.092 1.00 10.00 H new ATOM 0 HD1 TRP A 432 -1.507 -3.781 -7.544 1.00 10.00 H new ATOM 0 HE1 TRP A 432 0.905 -2.905 -7.285 1.00 10.00 H new ATOM 0 HE3 TRP A 432 -1.608 -2.772 -2.546 1.00 10.00 H new ATOM 0 HZ2 TRP A 432 2.516 -1.929 -5.212 1.00 10.00 H new ATOM 0 HZ3 TRP A 432 0.428 -1.883 -1.481 1.00 10.00 H new ATOM 0 HH2 TRP A 432 2.456 -1.448 -2.803 1.00 10.00 H new ATOM 333 N SER A 433 -5.501 -6.125 -4.617 1.00 10.00 N ATOM 334 CA SER A 433 -6.925 -6.419 -4.649 1.00 10.00 C ATOM 335 C SER A 433 -7.745 -5.164 -4.397 1.00 10.00 C ATOM 336 O SER A 433 -7.331 -4.284 -3.641 1.00 10.00 O ATOM 337 CB SER A 433 -7.271 -7.486 -3.610 1.00 10.00 C ATOM 338 OG SER A 433 -8.274 -8.363 -4.092 1.00 10.00 O ATOM 0 H SER A 433 -5.011 -6.503 -3.806 1.00 10.00 H new ATOM 0 HA SER A 433 -7.169 -6.797 -5.642 1.00 10.00 H new ATOM 0 HB2 SER A 433 -6.377 -8.056 -3.358 1.00 10.00 H new ATOM 0 HB3 SER A 433 -7.613 -7.007 -2.693 1.00 10.00 H new ATOM 0 HG SER A 433 -8.475 -9.036 -3.409 1.00 10.00 H new ATOM 344 N GLU A 434 -8.918 -5.089 -5.021 1.00 10.00 N ATOM 345 CA GLU A 434 -9.799 -3.941 -4.842 1.00 10.00 C ATOM 346 C GLU A 434 -9.966 -3.639 -3.356 1.00 10.00 C ATOM 347 O GLU A 434 -10.203 -2.497 -2.962 1.00 10.00 O ATOM 348 CB GLU A 434 -11.163 -4.209 -5.481 1.00 10.00 C ATOM 349 CG GLU A 434 -11.888 -2.947 -5.917 1.00 10.00 C ATOM 350 CD GLU A 434 -12.809 -2.402 -4.842 1.00 10.00 C ATOM 351 OE1 GLU A 434 -13.698 -3.151 -4.386 1.00 10.00 O ATOM 352 OE2 GLU A 434 -12.639 -1.226 -4.457 1.00 10.00 O ATOM 0 H GLU A 434 -9.278 -5.806 -5.651 1.00 10.00 H new ATOM 0 HA GLU A 434 -9.350 -3.077 -5.332 1.00 10.00 H new ATOM 0 HB2 GLU A 434 -11.028 -4.858 -6.346 1.00 10.00 H new ATOM 0 HB3 GLU A 434 -11.788 -4.750 -4.771 1.00 10.00 H new ATOM 0 HG2 GLU A 434 -11.155 -2.185 -6.183 1.00 10.00 H new ATOM 0 HG3 GLU A 434 -12.469 -3.158 -6.815 1.00 10.00 H new ATOM 359 N GLN A 435 -9.827 -4.680 -2.539 1.00 10.00 N ATOM 360 CA GLN A 435 -9.946 -4.546 -1.098 1.00 10.00 C ATOM 361 C GLN A 435 -8.607 -4.170 -0.476 1.00 10.00 C ATOM 362 O GLN A 435 -8.565 -3.479 0.542 1.00 10.00 O ATOM 363 CB GLN A 435 -10.455 -5.851 -0.487 1.00 10.00 C ATOM 364 CG GLN A 435 -11.262 -5.653 0.785 1.00 10.00 C ATOM 365 CD GLN A 435 -12.754 -5.565 0.524 1.00 10.00 C ATOM 366 OE1 GLN A 435 -13.561 -6.099 1.285 1.00 10.00 O ATOM 367 NE2 GLN A 435 -13.128 -4.888 -0.557 1.00 10.00 N ATOM 0 H GLN A 435 -9.631 -5.629 -2.857 1.00 10.00 H new ATOM 0 HA GLN A 435 -10.660 -3.750 -0.888 1.00 10.00 H new ATOM 0 HB2 GLN A 435 -11.071 -6.370 -1.221 1.00 10.00 H new ATOM 0 HB3 GLN A 435 -9.604 -6.497 -0.271 1.00 10.00 H new ATOM 0 HG2 GLN A 435 -11.065 -6.479 1.468 1.00 10.00 H new ATOM 0 HG3 GLN A 435 -10.930 -4.742 1.283 1.00 10.00 H new ATOM 0 HE21 GLN A 435 -12.425 -4.461 -1.160 1.00 10.00 H new ATOM 0 HE22 GLN A 435 -14.118 -4.795 -0.783 1.00 10.00 H new ATOM 376 N GLU A 436 -7.511 -4.617 -1.089 1.00 10.00 N ATOM 377 CA GLU A 436 -6.195 -4.306 -0.580 1.00 10.00 C ATOM 378 C GLU A 436 -5.887 -2.840 -0.822 1.00 10.00 C ATOM 379 O GLU A 436 -5.573 -2.100 0.111 1.00 10.00 O ATOM 380 CB GLU A 436 -5.172 -5.221 -1.246 1.00 10.00 C ATOM 381 CG GLU A 436 -4.575 -6.257 -0.306 1.00 10.00 C ATOM 382 CD GLU A 436 -4.134 -5.684 1.029 1.00 10.00 C ATOM 383 OE1 GLU A 436 -4.993 -5.518 1.920 1.00 10.00 O ATOM 384 OE2 GLU A 436 -2.925 -5.412 1.185 1.00 10.00 O ATOM 0 H GLU A 436 -7.518 -5.191 -1.932 1.00 10.00 H new ATOM 0 HA GLU A 436 -6.153 -4.477 0.496 1.00 10.00 H new ATOM 0 HB2 GLU A 436 -5.646 -5.733 -2.083 1.00 10.00 H new ATOM 0 HB3 GLU A 436 -4.368 -4.612 -1.659 1.00 10.00 H new ATOM 0 HG2 GLU A 436 -5.310 -7.042 -0.130 1.00 10.00 H new ATOM 0 HG3 GLU A 436 -3.719 -6.725 -0.792 1.00 10.00 H new ATOM 391 N LYS A 437 -6.028 -2.413 -2.068 1.00 10.00 N ATOM 392 CA LYS A 437 -5.816 -1.013 -2.427 1.00 10.00 C ATOM 393 C LYS A 437 -6.633 -0.123 -1.501 1.00 10.00 C ATOM 394 O LYS A 437 -6.335 1.050 -1.318 1.00 10.00 O ATOM 395 CB LYS A 437 -6.245 -0.783 -3.879 1.00 10.00 C ATOM 396 CG LYS A 437 -5.372 0.203 -4.632 1.00 10.00 C ATOM 397 CD LYS A 437 -6.014 0.625 -5.944 1.00 10.00 C ATOM 398 CE LYS A 437 -6.119 -0.542 -6.915 1.00 10.00 C ATOM 399 NZ LYS A 437 -7.273 -0.391 -7.844 1.00 10.00 N ATOM 0 H LYS A 437 -6.288 -3.014 -2.850 1.00 10.00 H new ATOM 0 HA LYS A 437 -4.759 -0.767 -2.324 1.00 10.00 H new ATOM 0 HB2 LYS A 437 -6.235 -1.737 -4.406 1.00 10.00 H new ATOM 0 HB3 LYS A 437 -7.274 -0.424 -3.890 1.00 10.00 H new ATOM 0 HG2 LYS A 437 -5.196 1.082 -4.012 1.00 10.00 H new ATOM 0 HG3 LYS A 437 -4.399 -0.247 -4.830 1.00 10.00 H new ATOM 0 HD2 LYS A 437 -7.008 1.029 -5.750 1.00 10.00 H new ATOM 0 HD3 LYS A 437 -5.427 1.424 -6.397 1.00 10.00 H new ATOM 0 HE2 LYS A 437 -5.197 -0.619 -7.491 1.00 10.00 H new ATOM 0 HE3 LYS A 437 -6.223 -1.471 -6.355 1.00 10.00 H new ATOM 0 HZ1 LYS A 437 -7.309 -1.206 -8.489 1.00 10.00 H new ATOM 0 HZ2 LYS A 437 -8.156 -0.344 -7.296 1.00 10.00 H new ATOM 0 HZ3 LYS A 437 -7.161 0.483 -8.397 1.00 10.00 H new ATOM 413 N GLU A 438 -7.667 -0.705 -0.912 1.00 10.00 N ATOM 414 CA GLU A 438 -8.539 0.020 -0.006 1.00 10.00 C ATOM 415 C GLU A 438 -7.790 0.525 1.217 1.00 10.00 C ATOM 416 O GLU A 438 -8.172 1.530 1.807 1.00 10.00 O ATOM 417 CB GLU A 438 -9.692 -0.875 0.438 1.00 10.00 C ATOM 418 CG GLU A 438 -10.978 -0.118 0.725 1.00 10.00 C ATOM 419 CD GLU A 438 -11.219 0.082 2.208 1.00 10.00 C ATOM 420 OE1 GLU A 438 -10.836 -0.808 2.997 1.00 10.00 O ATOM 421 OE2 GLU A 438 -11.791 1.128 2.582 1.00 10.00 O ATOM 0 H GLU A 438 -7.922 -1.683 -1.048 1.00 10.00 H new ATOM 0 HA GLU A 438 -8.926 0.884 -0.546 1.00 10.00 H new ATOM 0 HB2 GLU A 438 -9.883 -1.617 -0.337 1.00 10.00 H new ATOM 0 HB3 GLU A 438 -9.394 -1.419 1.334 1.00 10.00 H new ATOM 0 HG2 GLU A 438 -10.941 0.854 0.233 1.00 10.00 H new ATOM 0 HG3 GLU A 438 -11.819 -0.662 0.294 1.00 10.00 H new ATOM 428 N THR A 439 -6.739 -0.177 1.611 1.00 10.00 N ATOM 429 CA THR A 439 -5.973 0.225 2.783 1.00 10.00 C ATOM 430 C THR A 439 -4.889 1.236 2.420 1.00 10.00 C ATOM 431 O THR A 439 -4.822 2.322 2.997 1.00 10.00 O ATOM 432 CB THR A 439 -5.358 -1.002 3.456 1.00 10.00 C ATOM 433 OG1 THR A 439 -6.369 -1.912 3.852 1.00 10.00 O ATOM 434 CG2 THR A 439 -4.538 -0.668 4.683 1.00 10.00 C ATOM 0 H THR A 439 -6.399 -1.018 1.144 1.00 10.00 H new ATOM 0 HA THR A 439 -6.655 0.709 3.483 1.00 10.00 H new ATOM 0 HB THR A 439 -4.698 -1.440 2.708 1.00 10.00 H new ATOM 0 HG1 THR A 439 -6.072 -2.829 3.673 1.00 10.00 H new ATOM 0 HG21 THR A 439 -4.132 -1.585 5.110 1.00 10.00 H new ATOM 0 HG22 THR A 439 -3.720 -0.004 4.404 1.00 10.00 H new ATOM 0 HG23 THR A 439 -5.171 -0.174 5.420 1.00 10.00 H new ATOM 442 N PHE A 440 -4.046 0.876 1.466 1.00 10.00 N ATOM 443 CA PHE A 440 -2.966 1.749 1.025 1.00 10.00 C ATOM 444 C PHE A 440 -3.523 2.973 0.316 1.00 10.00 C ATOM 445 O PHE A 440 -2.981 4.071 0.436 1.00 10.00 O ATOM 446 CB PHE A 440 -2.021 0.999 0.084 1.00 10.00 C ATOM 447 CG PHE A 440 -2.366 -0.437 -0.085 1.00 10.00 C ATOM 448 CD1 PHE A 440 -2.259 -1.331 0.963 1.00 10.00 C ATOM 449 CD2 PHE A 440 -2.828 -0.878 -1.296 1.00 10.00 C ATOM 450 CE1 PHE A 440 -2.606 -2.648 0.787 1.00 10.00 C ATOM 451 CE2 PHE A 440 -3.182 -2.183 -1.479 1.00 10.00 C ATOM 452 CZ PHE A 440 -3.069 -3.069 -0.440 1.00 10.00 C ATOM 0 H PHE A 440 -4.088 -0.019 0.979 1.00 10.00 H new ATOM 0 HA PHE A 440 -2.411 2.071 1.906 1.00 10.00 H new ATOM 0 HB2 PHE A 440 -2.033 1.484 -0.892 1.00 10.00 H new ATOM 0 HB3 PHE A 440 -1.003 1.077 0.466 1.00 10.00 H new ATOM 0 HD1 PHE A 440 -1.901 -0.993 1.924 1.00 10.00 H new ATOM 0 HD2 PHE A 440 -2.913 -0.183 -2.118 1.00 10.00 H new ATOM 0 HE1 PHE A 440 -2.517 -3.348 1.604 1.00 10.00 H new ATOM 0 HE2 PHE A 440 -3.550 -2.516 -2.438 1.00 10.00 H new ATOM 0 HZ PHE A 440 -3.345 -4.103 -0.584 1.00 10.00 H new ATOM 462 N ARG A 441 -4.605 2.783 -0.432 1.00 10.00 N ATOM 463 CA ARG A 441 -5.210 3.891 -1.157 1.00 10.00 C ATOM 464 C ARG A 441 -6.024 4.778 -0.214 1.00 10.00 C ATOM 465 O ARG A 441 -6.107 5.990 -0.410 1.00 10.00 O ATOM 466 CB ARG A 441 -6.090 3.393 -2.309 1.00 10.00 C ATOM 467 CG ARG A 441 -6.144 4.337 -3.506 1.00 10.00 C ATOM 468 CD ARG A 441 -6.236 5.795 -3.080 1.00 10.00 C ATOM 469 NE ARG A 441 -6.298 6.699 -4.226 1.00 10.00 N ATOM 470 CZ ARG A 441 -5.264 6.954 -5.026 1.00 10.00 C ATOM 471 NH1 ARG A 441 -4.091 6.370 -4.813 1.00 10.00 N ATOM 472 NH2 ARG A 441 -5.404 7.794 -6.042 1.00 10.00 N ATOM 0 H ARG A 441 -5.074 1.885 -0.551 1.00 10.00 H new ATOM 0 HA ARG A 441 -4.400 4.484 -1.583 1.00 10.00 H new ATOM 0 HB2 ARG A 441 -5.720 2.423 -2.641 1.00 10.00 H new ATOM 0 HB3 ARG A 441 -7.103 3.237 -1.937 1.00 10.00 H new ATOM 0 HG2 ARG A 441 -5.255 4.194 -4.120 1.00 10.00 H new ATOM 0 HG3 ARG A 441 -7.004 4.086 -4.127 1.00 10.00 H new ATOM 0 HD2 ARG A 441 -7.121 5.936 -2.459 1.00 10.00 H new ATOM 0 HD3 ARG A 441 -5.372 6.048 -2.465 1.00 10.00 H new ATOM 0 HE ARG A 441 -7.185 7.162 -4.425 1.00 10.00 H new ATOM 0 HH11 ARG A 441 -3.978 5.722 -4.033 1.00 10.00 H new ATOM 0 HH12 ARG A 441 -3.303 6.569 -5.429 1.00 10.00 H new ATOM 0 HH21 ARG A 441 -6.303 8.245 -6.211 1.00 10.00 H new ATOM 0 HH22 ARG A 441 -4.612 7.990 -6.655 1.00 10.00 H new ATOM 486 N GLU A 442 -6.622 4.176 0.817 1.00 10.00 N ATOM 487 CA GLU A 442 -7.417 4.942 1.773 1.00 10.00 C ATOM 488 C GLU A 442 -6.517 5.718 2.723 1.00 10.00 C ATOM 489 O GLU A 442 -6.822 6.852 3.092 1.00 10.00 O ATOM 490 CB GLU A 442 -8.349 4.030 2.570 1.00 10.00 C ATOM 491 CG GLU A 442 -9.197 4.769 3.594 1.00 10.00 C ATOM 492 CD GLU A 442 -10.053 3.835 4.426 1.00 10.00 C ATOM 493 OE1 GLU A 442 -10.476 2.786 3.896 1.00 10.00 O ATOM 494 OE2 GLU A 442 -10.299 4.150 5.609 1.00 10.00 O ATOM 0 H GLU A 442 -6.571 3.175 1.008 1.00 10.00 H new ATOM 0 HA GLU A 442 -8.024 5.648 1.206 1.00 10.00 H new ATOM 0 HB2 GLU A 442 -9.007 3.503 1.878 1.00 10.00 H new ATOM 0 HB3 GLU A 442 -7.753 3.274 3.082 1.00 10.00 H new ATOM 0 HG2 GLU A 442 -8.546 5.343 4.253 1.00 10.00 H new ATOM 0 HG3 GLU A 442 -9.840 5.484 3.080 1.00 10.00 H new ATOM 501 N LYS A 443 -5.402 5.111 3.109 1.00 10.00 N ATOM 502 CA LYS A 443 -4.467 5.764 4.005 1.00 10.00 C ATOM 503 C LYS A 443 -3.809 6.936 3.295 1.00 10.00 C ATOM 504 O LYS A 443 -3.596 7.990 3.885 1.00 10.00 O ATOM 505 CB LYS A 443 -3.407 4.777 4.497 1.00 10.00 C ATOM 506 CG LYS A 443 -3.707 4.199 5.872 1.00 10.00 C ATOM 507 CD LYS A 443 -3.956 2.700 5.813 1.00 10.00 C ATOM 508 CE LYS A 443 -5.433 2.372 5.962 1.00 10.00 C ATOM 509 NZ LYS A 443 -6.274 3.137 4.999 1.00 10.00 N ATOM 0 H LYS A 443 -5.127 4.173 2.816 1.00 10.00 H new ATOM 0 HA LYS A 443 -5.014 6.133 4.873 1.00 10.00 H new ATOM 0 HB2 LYS A 443 -3.321 3.961 3.780 1.00 10.00 H new ATOM 0 HB3 LYS A 443 -2.440 5.279 4.526 1.00 10.00 H new ATOM 0 HG2 LYS A 443 -2.872 4.402 6.542 1.00 10.00 H new ATOM 0 HG3 LYS A 443 -4.581 4.696 6.292 1.00 10.00 H new ATOM 0 HD2 LYS A 443 -3.589 2.307 4.865 1.00 10.00 H new ATOM 0 HD3 LYS A 443 -3.391 2.205 6.603 1.00 10.00 H new ATOM 0 HE2 LYS A 443 -5.585 1.304 5.807 1.00 10.00 H new ATOM 0 HE3 LYS A 443 -5.753 2.595 6.980 1.00 10.00 H new ATOM 0 HZ1 LYS A 443 -7.259 2.811 5.063 1.00 10.00 H new ATOM 0 HZ2 LYS A 443 -6.229 4.151 5.228 1.00 10.00 H new ATOM 0 HZ3 LYS A 443 -5.921 2.984 4.033 1.00 10.00 H new ATOM 523 N PHE A 444 -3.512 6.754 2.012 1.00 10.00 N ATOM 524 CA PHE A 444 -2.904 7.808 1.219 1.00 10.00 C ATOM 525 C PHE A 444 -3.881 8.958 1.102 1.00 10.00 C ATOM 526 O PHE A 444 -3.488 10.124 1.046 1.00 10.00 O ATOM 527 CB PHE A 444 -2.495 7.274 -0.154 1.00 10.00 C ATOM 528 CG PHE A 444 -1.789 8.282 -1.013 1.00 10.00 C ATOM 529 CD1 PHE A 444 -2.457 9.393 -1.501 1.00 10.00 C ATOM 530 CD2 PHE A 444 -0.452 8.114 -1.331 1.00 10.00 C ATOM 531 CE1 PHE A 444 -1.802 10.319 -2.292 1.00 10.00 C ATOM 532 CE2 PHE A 444 0.208 9.036 -2.121 1.00 10.00 C ATOM 533 CZ PHE A 444 -0.467 10.140 -2.602 1.00 10.00 C ATOM 0 H PHE A 444 -3.684 5.887 1.503 1.00 10.00 H new ATOM 0 HA PHE A 444 -1.998 8.166 1.707 1.00 10.00 H new ATOM 0 HB2 PHE A 444 -1.846 6.409 -0.018 1.00 10.00 H new ATOM 0 HB3 PHE A 444 -3.385 6.925 -0.677 1.00 10.00 H new ATOM 0 HD1 PHE A 444 -3.500 9.537 -1.261 1.00 10.00 H new ATOM 0 HD2 PHE A 444 0.081 7.252 -0.957 1.00 10.00 H new ATOM 0 HE1 PHE A 444 -2.333 11.181 -2.667 1.00 10.00 H new ATOM 0 HE2 PHE A 444 1.251 8.893 -2.362 1.00 10.00 H new ATOM 0 HZ PHE A 444 0.047 10.862 -3.219 1.00 10.00 H new ATOM 543 N MET A 445 -5.164 8.622 1.128 1.00 10.00 N ATOM 544 CA MET A 445 -6.202 9.629 1.093 1.00 10.00 C ATOM 545 C MET A 445 -6.293 10.265 2.477 1.00 10.00 C ATOM 546 O MET A 445 -6.667 11.427 2.628 1.00 10.00 O ATOM 547 CB MET A 445 -7.544 9.015 0.693 1.00 10.00 C ATOM 548 CG MET A 445 -7.760 8.951 -0.811 1.00 10.00 C ATOM 549 SD MET A 445 -9.504 9.029 -1.265 1.00 10.00 S ATOM 550 CE MET A 445 -9.602 10.680 -1.950 1.00 10.00 C ATOM 0 H MET A 445 -5.504 7.662 1.173 1.00 10.00 H new ATOM 0 HA MET A 445 -5.958 10.386 0.348 1.00 10.00 H new ATOM 0 HB2 MET A 445 -7.610 8.008 1.104 1.00 10.00 H new ATOM 0 HB3 MET A 445 -8.349 9.597 1.143 1.00 10.00 H new ATOM 0 HG2 MET A 445 -7.227 9.775 -1.286 1.00 10.00 H new ATOM 0 HG3 MET A 445 -7.329 8.028 -1.197 1.00 10.00 H new ATOM 0 HE1 MET A 445 -10.623 10.878 -2.277 1.00 10.00 H new ATOM 0 HE2 MET A 445 -9.317 11.407 -1.190 1.00 10.00 H new ATOM 0 HE3 MET A 445 -8.926 10.761 -2.801 1.00 10.00 H new ATOM 560 N GLN A 446 -5.917 9.470 3.479 1.00 10.00 N ATOM 561 CA GLN A 446 -5.907 9.894 4.870 1.00 10.00 C ATOM 562 C GLN A 446 -4.742 10.841 5.118 1.00 10.00 C ATOM 563 O GLN A 446 -4.914 11.952 5.619 1.00 10.00 O ATOM 564 CB GLN A 446 -5.759 8.668 5.774 1.00 10.00 C ATOM 565 CG GLN A 446 -6.242 8.892 7.197 1.00 10.00 C ATOM 566 CD GLN A 446 -6.928 7.669 7.776 1.00 10.00 C ATOM 567 OE1 GLN A 446 -6.602 7.223 8.876 1.00 10.00 O ATOM 568 NE2 GLN A 446 -7.884 7.120 7.035 1.00 10.00 N ATOM 0 H GLN A 446 -5.609 8.507 3.342 1.00 10.00 H new ATOM 0 HA GLN A 446 -6.842 10.408 5.092 1.00 10.00 H new ATOM 0 HB2 GLN A 446 -6.315 7.838 5.338 1.00 10.00 H new ATOM 0 HB3 GLN A 446 -4.710 8.371 5.799 1.00 10.00 H new ATOM 0 HG2 GLN A 446 -5.394 9.162 7.827 1.00 10.00 H new ATOM 0 HG3 GLN A 446 -6.933 9.735 7.214 1.00 10.00 H new ATOM 0 HE21 GLN A 446 -8.122 7.523 6.129 1.00 10.00 H new ATOM 0 HE22 GLN A 446 -8.380 6.295 7.372 1.00 10.00 H new ATOM 577 N HIS A 447 -3.554 10.372 4.762 1.00 10.00 N ATOM 578 CA HIS A 447 -2.331 11.137 4.931 1.00 10.00 C ATOM 579 C HIS A 447 -1.966 11.856 3.633 1.00 10.00 C ATOM 580 O HIS A 447 -1.904 11.233 2.573 1.00 10.00 O ATOM 581 CB HIS A 447 -1.191 10.202 5.351 1.00 10.00 C ATOM 582 CG HIS A 447 -1.620 9.117 6.297 1.00 10.00 C ATOM 583 ND1 HIS A 447 -1.723 9.308 7.658 1.00 10.00 N ATOM 584 CD2 HIS A 447 -1.981 7.824 6.073 1.00 10.00 C ATOM 585 CE1 HIS A 447 -2.124 8.188 8.231 1.00 10.00 C ATOM 586 NE2 HIS A 447 -2.290 7.274 7.292 1.00 10.00 N ATOM 0 H HIS A 447 -3.413 9.450 4.348 1.00 10.00 H new ATOM 0 HA HIS A 447 -2.489 11.885 5.708 1.00 10.00 H new ATOM 0 HB2 HIS A 447 -0.760 9.746 4.460 1.00 10.00 H new ATOM 0 HB3 HIS A 447 -0.403 10.791 5.821 1.00 10.00 H new ATOM 0 HD1 HIS A 447 -1.521 10.180 8.147 1.00 10.00 H new ATOM 0 HD2 HIS A 447 -2.017 7.325 5.116 1.00 10.00 H new ATOM 0 HE1 HIS A 447 -2.288 8.044 9.289 1.00 10.00 H new ATOM 595 N PRO A 448 -1.717 13.177 3.691 1.00 10.00 N ATOM 596 CA PRO A 448 -1.359 13.962 2.505 1.00 10.00 C ATOM 597 C PRO A 448 -0.313 13.259 1.646 1.00 10.00 C ATOM 598 O PRO A 448 0.285 12.272 2.072 1.00 10.00 O ATOM 599 CB PRO A 448 -0.790 15.249 3.102 1.00 10.00 C ATOM 600 CG PRO A 448 -1.504 15.404 4.400 1.00 10.00 C ATOM 601 CD PRO A 448 -1.762 14.010 4.910 1.00 10.00 C ATOM 0 HA PRO A 448 -2.208 14.123 1.841 1.00 10.00 H new ATOM 0 HB2 PRO A 448 0.288 15.177 3.248 1.00 10.00 H new ATOM 0 HB3 PRO A 448 -0.966 16.102 2.447 1.00 10.00 H new ATOM 0 HG2 PRO A 448 -0.902 15.972 5.109 1.00 10.00 H new ATOM 0 HG3 PRO A 448 -2.439 15.949 4.267 1.00 10.00 H new ATOM 0 HD2 PRO A 448 -1.007 13.702 5.633 1.00 10.00 H new ATOM 0 HD3 PRO A 448 -2.729 13.939 5.408 1.00 10.00 H new ATOM 609 N LYS A 449 -0.097 13.771 0.435 1.00 10.00 N ATOM 610 CA LYS A 449 0.879 13.187 -0.485 1.00 10.00 C ATOM 611 C LYS A 449 2.182 12.853 0.237 1.00 10.00 C ATOM 612 O LYS A 449 3.044 13.713 0.411 1.00 10.00 O ATOM 613 CB LYS A 449 1.157 14.147 -1.643 1.00 10.00 C ATOM 614 CG LYS A 449 0.061 14.162 -2.697 1.00 10.00 C ATOM 615 CD LYS A 449 0.503 14.902 -3.949 1.00 10.00 C ATOM 616 CE LYS A 449 0.735 16.378 -3.670 1.00 10.00 C ATOM 617 NZ LYS A 449 1.235 17.098 -4.874 1.00 10.00 N ATOM 0 H LYS A 449 -0.584 14.589 0.068 1.00 10.00 H new ATOM 0 HA LYS A 449 0.458 12.262 -0.880 1.00 10.00 H new ATOM 0 HB2 LYS A 449 1.282 15.155 -1.247 1.00 10.00 H new ATOM 0 HB3 LYS A 449 2.100 13.871 -2.115 1.00 10.00 H new ATOM 0 HG2 LYS A 449 -0.211 13.139 -2.955 1.00 10.00 H new ATOM 0 HG3 LYS A 449 -0.832 14.636 -2.289 1.00 10.00 H new ATOM 0 HD2 LYS A 449 1.420 14.455 -4.333 1.00 10.00 H new ATOM 0 HD3 LYS A 449 -0.255 14.792 -4.725 1.00 10.00 H new ATOM 0 HE2 LYS A 449 -0.196 16.835 -3.334 1.00 10.00 H new ATOM 0 HE3 LYS A 449 1.454 16.485 -2.858 1.00 10.00 H new ATOM 0 HZ1 LYS A 449 1.381 18.101 -4.643 1.00 10.00 H new ATOM 0 HZ2 LYS A 449 2.136 16.679 -5.180 1.00 10.00 H new ATOM 0 HZ3 LYS A 449 0.538 17.017 -5.641 1.00 10.00 H new ATOM 631 N ASN A 450 2.312 11.600 0.665 1.00 10.00 N ATOM 632 CA ASN A 450 3.504 11.160 1.379 1.00 10.00 C ATOM 633 C ASN A 450 4.094 9.900 0.758 1.00 10.00 C ATOM 634 O ASN A 450 5.270 9.869 0.394 1.00 10.00 O ATOM 635 CB ASN A 450 3.180 10.912 2.858 1.00 10.00 C ATOM 636 CG ASN A 450 1.938 10.059 3.053 1.00 10.00 C ATOM 637 OD1 ASN A 450 1.095 9.956 2.162 1.00 10.00 O ATOM 638 ND2 ASN A 450 1.820 9.435 4.220 1.00 10.00 N ATOM 0 H ASN A 450 1.608 10.874 0.530 1.00 10.00 H new ATOM 0 HA ASN A 450 4.246 11.954 1.302 1.00 10.00 H new ATOM 0 HB2 ASN A 450 4.030 10.423 3.334 1.00 10.00 H new ATOM 0 HB3 ASN A 450 3.040 11.869 3.360 1.00 10.00 H new ATOM 0 HD21 ASN A 450 1.009 8.845 4.403 1.00 10.00 H new ATOM 0 HD22 ASN A 450 2.541 9.546 4.933 1.00 10.00 H new ATOM 645 N PHE A 451 3.280 8.856 0.660 1.00 10.00 N ATOM 646 CA PHE A 451 3.730 7.588 0.104 1.00 10.00 C ATOM 647 C PHE A 451 4.834 6.983 0.968 1.00 10.00 C ATOM 648 O PHE A 451 5.517 6.047 0.556 1.00 10.00 O ATOM 649 CB PHE A 451 4.209 7.769 -1.340 1.00 10.00 C ATOM 650 CG PHE A 451 3.582 6.800 -2.307 1.00 10.00 C ATOM 651 CD1 PHE A 451 2.258 6.424 -2.163 1.00 10.00 C ATOM 652 CD2 PHE A 451 4.314 6.272 -3.359 1.00 10.00 C ATOM 653 CE1 PHE A 451 1.672 5.539 -3.044 1.00 10.00 C ATOM 654 CE2 PHE A 451 3.734 5.384 -4.246 1.00 10.00 C ATOM 655 CZ PHE A 451 2.410 5.018 -4.089 1.00 10.00 C ATOM 0 H PHE A 451 2.305 8.863 0.959 1.00 10.00 H new ATOM 0 HA PHE A 451 2.885 6.899 0.098 1.00 10.00 H new ATOM 0 HB2 PHE A 451 3.988 8.786 -1.663 1.00 10.00 H new ATOM 0 HB3 PHE A 451 5.292 7.653 -1.372 1.00 10.00 H new ATOM 0 HD1 PHE A 451 1.675 6.829 -1.349 1.00 10.00 H new ATOM 0 HD2 PHE A 451 5.348 6.557 -3.487 1.00 10.00 H new ATOM 0 HE1 PHE A 451 0.638 5.254 -2.917 1.00 10.00 H new ATOM 0 HE2 PHE A 451 4.315 4.977 -5.061 1.00 10.00 H new ATOM 0 HZ PHE A 451 1.954 4.326 -4.782 1.00 10.00 H new ATOM 665 N GLY A 452 4.981 7.513 2.181 1.00 10.00 N ATOM 666 CA GLY A 452 5.972 7.010 3.109 1.00 10.00 C ATOM 667 C GLY A 452 5.313 6.223 4.218 1.00 10.00 C ATOM 668 O GLY A 452 5.843 5.212 4.680 1.00 10.00 O ATOM 0 H GLY A 452 4.423 8.290 2.537 1.00 10.00 H new ATOM 0 HA2 GLY A 452 6.684 6.377 2.580 1.00 10.00 H new ATOM 0 HA3 GLY A 452 6.537 7.841 3.532 1.00 10.00 H new ATOM 672 N LEU A 453 4.131 6.679 4.625 1.00 10.00 N ATOM 673 CA LEU A 453 3.366 6.006 5.663 1.00 10.00 C ATOM 674 C LEU A 453 2.718 4.761 5.089 1.00 10.00 C ATOM 675 O LEU A 453 2.882 3.659 5.610 1.00 10.00 O ATOM 676 CB LEU A 453 2.285 6.931 6.233 1.00 10.00 C ATOM 677 CG LEU A 453 1.208 6.233 7.069 1.00 10.00 C ATOM 678 CD1 LEU A 453 0.636 7.188 8.101 1.00 10.00 C ATOM 679 CD2 LEU A 453 0.102 5.676 6.174 1.00 10.00 C ATOM 0 H LEU A 453 3.684 7.515 4.248 1.00 10.00 H new ATOM 0 HA LEU A 453 4.046 5.731 6.470 1.00 10.00 H new ATOM 0 HB2 LEU A 453 2.766 7.690 6.849 1.00 10.00 H new ATOM 0 HB3 LEU A 453 1.801 7.451 5.406 1.00 10.00 H new ATOM 0 HG LEU A 453 1.670 5.396 7.594 1.00 10.00 H new ATOM 0 HD11 LEU A 453 -0.128 6.676 8.686 1.00 10.00 H new ATOM 0 HD12 LEU A 453 1.433 7.529 8.762 1.00 10.00 H new ATOM 0 HD13 LEU A 453 0.192 8.046 7.596 1.00 10.00 H new ATOM 0 HD21 LEU A 453 -0.652 5.185 6.790 1.00 10.00 H new ATOM 0 HD22 LEU A 453 -0.360 6.491 5.616 1.00 10.00 H new ATOM 0 HD23 LEU A 453 0.527 4.954 5.476 1.00 10.00 H new ATOM 691 N ILE A 454 1.983 4.952 4.001 1.00 10.00 N ATOM 692 CA ILE A 454 1.309 3.854 3.339 1.00 10.00 C ATOM 693 C ILE A 454 2.307 2.796 2.920 1.00 10.00 C ATOM 694 O ILE A 454 2.007 1.611 2.948 1.00 10.00 O ATOM 695 CB ILE A 454 0.501 4.361 2.138 1.00 10.00 C ATOM 696 CG1 ILE A 454 -0.793 4.941 2.660 1.00 10.00 C ATOM 697 CG2 ILE A 454 0.236 3.255 1.121 1.00 10.00 C ATOM 698 CD1 ILE A 454 -0.726 6.442 2.814 1.00 10.00 C ATOM 0 H ILE A 454 1.841 5.861 3.561 1.00 10.00 H new ATOM 0 HA ILE A 454 0.611 3.399 4.042 1.00 10.00 H new ATOM 0 HB ILE A 454 1.074 5.125 1.612 1.00 10.00 H new ATOM 0 HG12 ILE A 454 -1.605 4.683 1.980 1.00 10.00 H new ATOM 0 HG13 ILE A 454 -1.029 4.489 3.623 1.00 10.00 H new ATOM 0 HG21 ILE A 454 -0.339 3.658 0.287 1.00 10.00 H new ATOM 0 HG22 ILE A 454 1.185 2.864 0.753 1.00 10.00 H new ATOM 0 HG23 ILE A 454 -0.327 2.452 1.596 1.00 10.00 H new ATOM 0 HD11 ILE A 454 -1.679 6.812 3.192 1.00 10.00 H new ATOM 0 HD12 ILE A 454 0.067 6.701 3.515 1.00 10.00 H new ATOM 0 HD13 ILE A 454 -0.518 6.898 1.846 1.00 10.00 H new ATOM 710 N ALA A 455 3.505 3.236 2.578 1.00 10.00 N ATOM 711 CA ALA A 455 4.567 2.323 2.205 1.00 10.00 C ATOM 712 C ALA A 455 5.335 1.892 3.450 1.00 10.00 C ATOM 713 O ALA A 455 6.423 1.324 3.358 1.00 10.00 O ATOM 714 CB ALA A 455 5.505 2.981 1.209 1.00 10.00 C ATOM 0 H ALA A 455 3.765 4.222 2.551 1.00 10.00 H new ATOM 0 HA ALA A 455 4.129 1.443 1.734 1.00 10.00 H new ATOM 0 HB1 ALA A 455 6.297 2.283 0.939 1.00 10.00 H new ATOM 0 HB2 ALA A 455 4.948 3.261 0.315 1.00 10.00 H new ATOM 0 HB3 ALA A 455 5.944 3.872 1.657 1.00 10.00 H new ATOM 720 N SER A 456 4.762 2.183 4.622 1.00 10.00 N ATOM 721 CA SER A 456 5.394 1.843 5.888 1.00 10.00 C ATOM 722 C SER A 456 4.528 0.896 6.712 1.00 10.00 C ATOM 723 O SER A 456 5.051 0.060 7.450 1.00 10.00 O ATOM 724 CB SER A 456 5.684 3.112 6.691 1.00 10.00 C ATOM 725 OG SER A 456 6.980 3.611 6.406 1.00 10.00 O ATOM 0 H SER A 456 3.862 2.653 4.714 1.00 10.00 H new ATOM 0 HA SER A 456 6.331 1.333 5.663 1.00 10.00 H new ATOM 0 HB2 SER A 456 4.939 3.872 6.457 1.00 10.00 H new ATOM 0 HB3 SER A 456 5.599 2.899 7.757 1.00 10.00 H new ATOM 0 HG SER A 456 6.910 4.371 5.791 1.00 10.00 H new ATOM 731 N PHE A 457 3.204 1.018 6.595 1.00 10.00 N ATOM 732 CA PHE A 457 2.313 0.146 7.354 1.00 10.00 C ATOM 733 C PHE A 457 2.223 -1.233 6.701 1.00 10.00 C ATOM 734 O PHE A 457 1.899 -2.222 7.358 1.00 10.00 O ATOM 735 CB PHE A 457 0.924 0.782 7.518 1.00 10.00 C ATOM 736 CG PHE A 457 0.023 0.651 6.323 1.00 10.00 C ATOM 737 CD1 PHE A 457 -0.494 -0.584 5.957 1.00 10.00 C ATOM 738 CD2 PHE A 457 -0.316 1.767 5.571 1.00 10.00 C ATOM 739 CE1 PHE A 457 -1.330 -0.704 4.862 1.00 10.00 C ATOM 740 CE2 PHE A 457 -1.148 1.652 4.477 1.00 10.00 C ATOM 741 CZ PHE A 457 -1.656 0.419 4.122 1.00 10.00 C ATOM 0 H PHE A 457 2.735 1.697 5.995 1.00 10.00 H new ATOM 0 HA PHE A 457 2.732 0.016 8.352 1.00 10.00 H new ATOM 0 HB2 PHE A 457 0.432 0.327 8.378 1.00 10.00 H new ATOM 0 HB3 PHE A 457 1.050 1.841 7.746 1.00 10.00 H new ATOM 0 HD1 PHE A 457 -0.241 -1.461 6.534 1.00 10.00 H new ATOM 0 HD2 PHE A 457 0.076 2.735 5.845 1.00 10.00 H new ATOM 0 HE1 PHE A 457 -1.727 -1.670 4.586 1.00 10.00 H new ATOM 0 HE2 PHE A 457 -1.402 2.527 3.898 1.00 10.00 H new ATOM 0 HZ PHE A 457 -2.309 0.330 3.266 1.00 10.00 H new ATOM 751 N LEU A 458 2.533 -1.292 5.408 1.00 10.00 N ATOM 752 CA LEU A 458 2.508 -2.549 4.667 1.00 10.00 C ATOM 753 C LEU A 458 3.930 -2.948 4.279 1.00 10.00 C ATOM 754 O LEU A 458 4.193 -3.345 3.149 1.00 10.00 O ATOM 755 CB LEU A 458 1.612 -2.429 3.429 1.00 10.00 C ATOM 756 CG LEU A 458 1.562 -1.035 2.810 1.00 10.00 C ATOM 757 CD1 LEU A 458 2.942 -0.655 2.303 1.00 10.00 C ATOM 758 CD2 LEU A 458 0.522 -0.965 1.690 1.00 10.00 C ATOM 0 H LEU A 458 2.805 -0.482 4.851 1.00 10.00 H new ATOM 0 HA LEU A 458 2.090 -3.329 5.304 1.00 10.00 H new ATOM 0 HB2 LEU A 458 1.961 -3.134 2.675 1.00 10.00 H new ATOM 0 HB3 LEU A 458 0.599 -2.728 3.700 1.00 10.00 H new ATOM 0 HG LEU A 458 1.259 -0.320 3.575 1.00 10.00 H new ATOM 0 HD11 LEU A 458 2.906 0.341 1.861 1.00 10.00 H new ATOM 0 HD12 LEU A 458 3.648 -0.658 3.133 1.00 10.00 H new ATOM 0 HD13 LEU A 458 3.264 -1.375 1.550 1.00 10.00 H new ATOM 0 HD21 LEU A 458 0.509 0.040 1.268 1.00 10.00 H new ATOM 0 HD22 LEU A 458 0.778 -1.683 0.911 1.00 10.00 H new ATOM 0 HD23 LEU A 458 -0.463 -1.202 2.093 1.00 10.00 H new ATOM 770 N GLU A 459 4.828 -2.818 5.260 1.00 10.00 N ATOM 771 CA GLU A 459 6.262 -3.132 5.135 1.00 10.00 C ATOM 772 C GLU A 459 6.642 -3.852 3.840 1.00 10.00 C ATOM 773 O GLU A 459 7.527 -3.397 3.115 1.00 10.00 O ATOM 774 CB GLU A 459 6.709 -3.974 6.330 1.00 10.00 C ATOM 775 CG GLU A 459 8.215 -3.980 6.540 1.00 10.00 C ATOM 776 CD GLU A 459 8.599 -4.049 8.005 1.00 10.00 C ATOM 777 OE1 GLU A 459 8.382 -5.111 8.627 1.00 10.00 O ATOM 778 OE2 GLU A 459 9.117 -3.041 8.531 1.00 10.00 O ATOM 0 H GLU A 459 4.575 -2.483 6.190 1.00 10.00 H new ATOM 0 HA GLU A 459 6.776 -2.171 5.111 1.00 10.00 H new ATOM 0 HB2 GLU A 459 6.226 -3.596 7.231 1.00 10.00 H new ATOM 0 HB3 GLU A 459 6.366 -4.999 6.190 1.00 10.00 H new ATOM 0 HG2 GLU A 459 8.648 -4.831 6.014 1.00 10.00 H new ATOM 0 HG3 GLU A 459 8.643 -3.081 6.098 1.00 10.00 H new ATOM 785 N ARG A 460 5.996 -4.983 3.556 1.00 10.00 N ATOM 786 CA ARG A 460 6.301 -5.755 2.350 1.00 10.00 C ATOM 787 C ARG A 460 6.434 -4.846 1.134 1.00 10.00 C ATOM 788 O ARG A 460 7.176 -5.145 0.199 1.00 10.00 O ATOM 789 CB ARG A 460 5.223 -6.809 2.090 1.00 10.00 C ATOM 790 CG ARG A 460 5.692 -7.956 1.208 1.00 10.00 C ATOM 791 CD ARG A 460 6.966 -8.591 1.740 1.00 10.00 C ATOM 792 NE ARG A 460 8.155 -8.088 1.055 1.00 10.00 N ATOM 793 CZ ARG A 460 9.324 -8.727 1.028 1.00 10.00 C ATOM 794 NH1 ARG A 460 9.466 -9.892 1.645 1.00 10.00 N ATOM 795 NH2 ARG A 460 10.352 -8.198 0.380 1.00 10.00 N ATOM 0 H ARG A 460 5.262 -5.384 4.140 1.00 10.00 H new ATOM 0 HA ARG A 460 7.254 -6.257 2.516 1.00 10.00 H new ATOM 0 HB2 ARG A 460 4.883 -7.211 3.044 1.00 10.00 H new ATOM 0 HB3 ARG A 460 4.364 -6.330 1.621 1.00 10.00 H new ATOM 0 HG2 ARG A 460 4.908 -8.711 1.146 1.00 10.00 H new ATOM 0 HG3 ARG A 460 5.863 -7.590 0.196 1.00 10.00 H new ATOM 0 HD2 ARG A 460 7.052 -8.392 2.808 1.00 10.00 H new ATOM 0 HD3 ARG A 460 6.909 -9.673 1.621 1.00 10.00 H new ATOM 0 HE ARG A 460 8.086 -7.194 0.568 1.00 10.00 H new ATOM 0 HH11 ARG A 460 8.678 -10.304 2.144 1.00 10.00 H new ATOM 0 HH12 ARG A 460 10.364 -10.376 1.620 1.00 10.00 H new ATOM 0 HH21 ARG A 460 10.248 -7.303 -0.097 1.00 10.00 H new ATOM 0 HH22 ARG A 460 11.247 -8.686 0.359 1.00 10.00 H new ATOM 809 N LYS A 461 5.717 -3.730 1.161 1.00 10.00 N ATOM 810 CA LYS A 461 5.762 -2.770 0.064 1.00 10.00 C ATOM 811 C LYS A 461 6.753 -1.652 0.381 1.00 10.00 C ATOM 812 O LYS A 461 7.567 -1.775 1.294 1.00 10.00 O ATOM 813 CB LYS A 461 4.372 -2.177 -0.211 1.00 10.00 C ATOM 814 CG LYS A 461 3.207 -3.074 0.197 1.00 10.00 C ATOM 815 CD LYS A 461 2.797 -4.012 -0.928 1.00 10.00 C ATOM 816 CE LYS A 461 3.959 -4.868 -1.398 1.00 10.00 C ATOM 817 NZ LYS A 461 4.581 -4.329 -2.640 1.00 10.00 N ATOM 0 H LYS A 461 5.099 -3.467 1.928 1.00 10.00 H new ATOM 0 HA LYS A 461 6.091 -3.297 -0.831 1.00 10.00 H new ATOM 0 HB2 LYS A 461 4.285 -1.228 0.318 1.00 10.00 H new ATOM 0 HB3 LYS A 461 4.289 -1.958 -1.275 1.00 10.00 H new ATOM 0 HG2 LYS A 461 3.487 -3.658 1.074 1.00 10.00 H new ATOM 0 HG3 LYS A 461 2.356 -2.457 0.484 1.00 10.00 H new ATOM 0 HD2 LYS A 461 1.986 -4.655 -0.588 1.00 10.00 H new ATOM 0 HD3 LYS A 461 2.412 -3.430 -1.765 1.00 10.00 H new ATOM 0 HE2 LYS A 461 4.711 -4.923 -0.610 1.00 10.00 H new ATOM 0 HE3 LYS A 461 3.611 -5.885 -1.579 1.00 10.00 H new ATOM 0 HZ1 LYS A 461 5.290 -5.002 -2.993 1.00 10.00 H new ATOM 0 HZ2 LYS A 461 3.847 -4.188 -3.363 1.00 10.00 H new ATOM 0 HZ3 LYS A 461 5.041 -3.420 -2.432 1.00 10.00 H new ATOM 831 N THR A 462 6.681 -0.564 -0.375 1.00 10.00 N ATOM 832 CA THR A 462 7.574 0.569 -0.166 1.00 10.00 C ATOM 833 C THR A 462 7.111 1.776 -0.972 1.00 10.00 C ATOM 834 O THR A 462 6.180 1.678 -1.768 1.00 10.00 O ATOM 835 CB THR A 462 9.005 0.198 -0.556 1.00 10.00 C ATOM 836 OG1 THR A 462 9.008 -0.813 -1.548 1.00 10.00 O ATOM 837 CG2 THR A 462 9.833 -0.302 0.609 1.00 10.00 C ATOM 0 H THR A 462 6.015 -0.442 -1.137 1.00 10.00 H new ATOM 0 HA THR A 462 7.552 0.829 0.892 1.00 10.00 H new ATOM 0 HB THR A 462 9.450 1.120 -0.929 1.00 10.00 H new ATOM 0 HG1 THR A 462 9.718 -0.631 -2.198 1.00 10.00 H new ATOM 0 HG21 THR A 462 10.837 -0.547 0.263 1.00 10.00 H new ATOM 0 HG22 THR A 462 9.892 0.473 1.373 1.00 10.00 H new ATOM 0 HG23 THR A 462 9.367 -1.192 1.031 1.00 10.00 H new ATOM 845 N VAL A 463 7.760 2.913 -0.761 1.00 10.00 N ATOM 846 CA VAL A 463 7.403 4.130 -1.478 1.00 10.00 C ATOM 847 C VAL A 463 7.687 3.978 -2.965 1.00 10.00 C ATOM 848 O VAL A 463 6.967 4.518 -3.806 1.00 10.00 O ATOM 849 CB VAL A 463 8.165 5.356 -0.936 1.00 10.00 C ATOM 850 CG1 VAL A 463 7.570 6.644 -1.487 1.00 10.00 C ATOM 851 CG2 VAL A 463 8.156 5.365 0.588 1.00 10.00 C ATOM 0 H VAL A 463 8.532 3.018 -0.103 1.00 10.00 H new ATOM 0 HA VAL A 463 6.336 4.291 -1.324 1.00 10.00 H new ATOM 0 HB VAL A 463 9.201 5.290 -1.269 1.00 10.00 H new ATOM 0 HG11 VAL A 463 8.122 7.497 -1.093 1.00 10.00 H new ATOM 0 HG12 VAL A 463 7.637 6.640 -2.575 1.00 10.00 H new ATOM 0 HG13 VAL A 463 6.524 6.719 -1.189 1.00 10.00 H new ATOM 0 HG21 VAL A 463 8.699 6.238 0.950 1.00 10.00 H new ATOM 0 HG22 VAL A 463 7.127 5.404 0.946 1.00 10.00 H new ATOM 0 HG23 VAL A 463 8.636 4.460 0.960 1.00 10.00 H new ATOM 861 N ALA A 464 8.733 3.223 -3.283 1.00 10.00 N ATOM 862 CA ALA A 464 9.106 2.980 -4.669 1.00 10.00 C ATOM 863 C ALA A 464 8.375 1.757 -5.218 1.00 10.00 C ATOM 864 O ALA A 464 8.263 1.579 -6.430 1.00 10.00 O ATOM 865 CB ALA A 464 10.611 2.797 -4.787 1.00 10.00 C ATOM 0 H ALA A 464 9.337 2.769 -2.598 1.00 10.00 H new ATOM 0 HA ALA A 464 8.813 3.847 -5.261 1.00 10.00 H new ATOM 0 HB1 ALA A 464 10.875 2.616 -5.829 1.00 10.00 H new ATOM 0 HB2 ALA A 464 11.116 3.697 -4.436 1.00 10.00 H new ATOM 0 HB3 ALA A 464 10.923 1.946 -4.181 1.00 10.00 H new ATOM 871 N GLU A 465 7.879 0.914 -4.313 1.00 10.00 N ATOM 872 CA GLU A 465 7.158 -0.291 -4.700 1.00 10.00 C ATOM 873 C GLU A 465 5.650 -0.049 -4.713 1.00 10.00 C ATOM 874 O GLU A 465 4.911 -0.737 -5.416 1.00 10.00 O ATOM 875 CB GLU A 465 7.493 -1.440 -3.747 1.00 10.00 C ATOM 876 CG GLU A 465 6.976 -2.790 -4.216 1.00 10.00 C ATOM 877 CD GLU A 465 7.761 -3.339 -5.391 1.00 10.00 C ATOM 878 OE1 GLU A 465 8.994 -3.144 -5.424 1.00 10.00 O ATOM 879 OE2 GLU A 465 7.142 -3.963 -6.278 1.00 10.00 O ATOM 0 H GLU A 465 7.965 1.047 -3.305 1.00 10.00 H new ATOM 0 HA GLU A 465 7.471 -0.560 -5.709 1.00 10.00 H new ATOM 0 HB2 GLU A 465 8.575 -1.497 -3.626 1.00 10.00 H new ATOM 0 HB3 GLU A 465 7.073 -1.221 -2.765 1.00 10.00 H new ATOM 0 HG2 GLU A 465 7.022 -3.499 -3.390 1.00 10.00 H new ATOM 0 HG3 GLU A 465 5.927 -2.696 -4.497 1.00 10.00 H new ATOM 886 N CYS A 466 5.198 0.934 -3.937 1.00 10.00 N ATOM 887 CA CYS A 466 3.779 1.258 -3.875 1.00 10.00 C ATOM 888 C CYS A 466 3.304 1.815 -5.210 1.00 10.00 C ATOM 889 O CYS A 466 2.120 1.742 -5.539 1.00 10.00 O ATOM 890 CB CYS A 466 3.504 2.259 -2.749 1.00 10.00 C ATOM 891 SG CYS A 466 3.245 1.495 -1.132 1.00 10.00 S ATOM 0 H CYS A 466 5.792 1.516 -3.346 1.00 10.00 H new ATOM 0 HA CYS A 466 3.225 0.343 -3.664 1.00 10.00 H new ATOM 0 HB2 CYS A 466 4.342 2.953 -2.681 1.00 10.00 H new ATOM 0 HB3 CYS A 466 2.623 2.847 -3.007 1.00 10.00 H new ATOM 0 HG CYS A 466 4.392 1.154 -0.624 1.00 10.00 H new ATOM 897 N VAL A 467 4.241 2.352 -5.989 1.00 10.00 N ATOM 898 CA VAL A 467 3.919 2.895 -7.299 1.00 10.00 C ATOM 899 C VAL A 467 3.339 1.809 -8.203 1.00 10.00 C ATOM 900 O VAL A 467 2.734 2.101 -9.233 1.00 10.00 O ATOM 901 CB VAL A 467 5.162 3.509 -7.976 1.00 10.00 C ATOM 902 CG1 VAL A 467 6.241 2.456 -8.174 1.00 10.00 C ATOM 903 CG2 VAL A 467 4.786 4.155 -9.302 1.00 10.00 C ATOM 0 H VAL A 467 5.226 2.421 -5.733 1.00 10.00 H new ATOM 0 HA VAL A 467 3.178 3.681 -7.150 1.00 10.00 H new ATOM 0 HB VAL A 467 5.561 4.284 -7.322 1.00 10.00 H new ATOM 0 HG11 VAL A 467 7.109 2.910 -8.653 1.00 10.00 H new ATOM 0 HG12 VAL A 467 6.533 2.048 -7.206 1.00 10.00 H new ATOM 0 HG13 VAL A 467 5.856 1.655 -8.805 1.00 10.00 H new ATOM 0 HG21 VAL A 467 5.676 4.582 -9.764 1.00 10.00 H new ATOM 0 HG22 VAL A 467 4.359 3.403 -9.965 1.00 10.00 H new ATOM 0 HG23 VAL A 467 4.054 4.943 -9.128 1.00 10.00 H new ATOM 913 N LEU A 468 3.523 0.550 -7.805 1.00 10.00 N ATOM 914 CA LEU A 468 3.014 -0.579 -8.571 1.00 10.00 C ATOM 915 C LEU A 468 1.510 -0.766 -8.358 1.00 10.00 C ATOM 916 O LEU A 468 0.918 -1.715 -8.867 1.00 10.00 O ATOM 917 CB LEU A 468 3.765 -1.856 -8.183 1.00 10.00 C ATOM 918 CG LEU A 468 4.463 -2.574 -9.340 1.00 10.00 C ATOM 919 CD1 LEU A 468 5.618 -1.737 -9.868 1.00 10.00 C ATOM 920 CD2 LEU A 468 4.953 -3.944 -8.897 1.00 10.00 C ATOM 0 H LEU A 468 4.022 0.290 -6.954 1.00 10.00 H new ATOM 0 HA LEU A 468 3.178 -0.371 -9.628 1.00 10.00 H new ATOM 0 HB2 LEU A 468 4.510 -1.606 -7.428 1.00 10.00 H new ATOM 0 HB3 LEU A 468 3.061 -2.547 -7.719 1.00 10.00 H new ATOM 0 HG LEU A 468 3.743 -2.711 -10.147 1.00 10.00 H new ATOM 0 HD11 LEU A 468 6.103 -2.263 -10.690 1.00 10.00 H new ATOM 0 HD12 LEU A 468 5.240 -0.778 -10.223 1.00 10.00 H new ATOM 0 HD13 LEU A 468 6.340 -1.569 -9.069 1.00 10.00 H new ATOM 0 HD21 LEU A 468 5.447 -4.441 -9.732 1.00 10.00 H new ATOM 0 HD22 LEU A 468 5.658 -3.829 -8.074 1.00 10.00 H new ATOM 0 HD23 LEU A 468 4.105 -4.545 -8.567 1.00 10.00 H new ATOM 932 N TYR A 469 0.901 0.142 -7.600 1.00 10.00 N ATOM 933 CA TYR A 469 -0.529 0.082 -7.326 1.00 10.00 C ATOM 934 C TYR A 469 -1.251 1.316 -7.875 1.00 10.00 C ATOM 935 O TYR A 469 -2.479 1.388 -7.841 1.00 10.00 O ATOM 936 CB TYR A 469 -0.759 -0.081 -5.809 1.00 10.00 C ATOM 937 CG TYR A 469 -1.433 1.076 -5.086 1.00 10.00 C ATOM 938 CD1 TYR A 469 -1.119 2.400 -5.370 1.00 10.00 C ATOM 939 CD2 TYR A 469 -2.378 0.829 -4.098 1.00 10.00 C ATOM 940 CE1 TYR A 469 -1.729 3.438 -4.699 1.00 10.00 C ATOM 941 CE2 TYR A 469 -2.991 1.861 -3.424 1.00 10.00 C ATOM 942 CZ TYR A 469 -2.664 3.166 -3.728 1.00 10.00 C ATOM 943 OH TYR A 469 -3.269 4.201 -3.064 1.00 10.00 O ATOM 0 H TYR A 469 1.379 0.930 -7.164 1.00 10.00 H new ATOM 0 HA TYR A 469 -0.951 -0.784 -7.836 1.00 10.00 H new ATOM 0 HB2 TYR A 469 -1.361 -0.976 -5.652 1.00 10.00 H new ATOM 0 HB3 TYR A 469 0.207 -0.259 -5.337 1.00 10.00 H new ATOM 0 HD1 TYR A 469 -0.384 2.619 -6.130 1.00 10.00 H new ATOM 0 HD2 TYR A 469 -2.636 -0.191 -3.854 1.00 10.00 H new ATOM 0 HE1 TYR A 469 -1.474 4.461 -4.935 1.00 10.00 H new ATOM 0 HE2 TYR A 469 -3.725 1.650 -2.660 1.00 10.00 H new ATOM 0 HH TYR A 469 -2.590 4.734 -2.600 1.00 10.00 H new ATOM 953 N TYR A 470 -0.483 2.295 -8.360 1.00 10.00 N ATOM 954 CA TYR A 470 -1.061 3.526 -8.884 1.00 10.00 C ATOM 955 C TYR A 470 -1.231 3.472 -10.401 1.00 10.00 C ATOM 956 O TYR A 470 -2.218 3.978 -10.933 1.00 10.00 O ATOM 957 CB TYR A 470 -0.201 4.732 -8.466 1.00 10.00 C ATOM 958 CG TYR A 470 0.472 5.459 -9.614 1.00 10.00 C ATOM 959 CD1 TYR A 470 1.529 4.879 -10.301 1.00 10.00 C ATOM 960 CD2 TYR A 470 0.047 6.722 -10.007 1.00 10.00 C ATOM 961 CE1 TYR A 470 2.146 5.537 -11.345 1.00 10.00 C ATOM 962 CE2 TYR A 470 0.660 7.387 -11.052 1.00 10.00 C ATOM 963 CZ TYR A 470 1.710 6.789 -11.718 1.00 10.00 C ATOM 964 OH TYR A 470 2.323 7.447 -12.759 1.00 10.00 O ATOM 0 H TYR A 470 0.536 2.256 -8.399 1.00 10.00 H new ATOM 0 HA TYR A 470 -2.057 3.640 -8.457 1.00 10.00 H new ATOM 0 HB2 TYR A 470 -0.830 5.439 -7.925 1.00 10.00 H new ATOM 0 HB3 TYR A 470 0.566 4.390 -7.771 1.00 10.00 H new ATOM 0 HD1 TYR A 470 1.874 3.897 -10.014 1.00 10.00 H new ATOM 0 HD2 TYR A 470 -0.775 7.192 -9.488 1.00 10.00 H new ATOM 0 HE1 TYR A 470 2.968 5.072 -11.868 1.00 10.00 H new ATOM 0 HE2 TYR A 470 0.319 8.369 -11.346 1.00 10.00 H new ATOM 0 HH TYR A 470 1.894 8.318 -12.894 1.00 10.00 H new ATOM 974 N TYR A 471 -0.274 2.863 -11.100 1.00 10.00 N ATOM 975 CA TYR A 471 -0.361 2.772 -12.553 1.00 10.00 C ATOM 976 C TYR A 471 -1.308 1.647 -12.981 1.00 10.00 C ATOM 977 O TYR A 471 -1.567 1.461 -14.170 1.00 10.00 O ATOM 978 CB TYR A 471 1.031 2.601 -13.179 1.00 10.00 C ATOM 979 CG TYR A 471 1.554 1.183 -13.181 1.00 10.00 C ATOM 980 CD1 TYR A 471 1.167 0.282 -14.165 1.00 10.00 C ATOM 981 CD2 TYR A 471 2.437 0.746 -12.203 1.00 10.00 C ATOM 982 CE1 TYR A 471 1.645 -1.015 -14.174 1.00 10.00 C ATOM 983 CE2 TYR A 471 2.920 -0.549 -12.204 1.00 10.00 C ATOM 984 CZ TYR A 471 2.521 -1.425 -13.191 1.00 10.00 C ATOM 985 OH TYR A 471 2.999 -2.715 -13.195 1.00 10.00 O ATOM 0 H TYR A 471 0.556 2.433 -10.691 1.00 10.00 H new ATOM 0 HA TYR A 471 -0.777 3.709 -12.923 1.00 10.00 H new ATOM 0 HB2 TYR A 471 0.999 2.963 -14.207 1.00 10.00 H new ATOM 0 HB3 TYR A 471 1.737 3.233 -12.640 1.00 10.00 H new ATOM 0 HD1 TYR A 471 0.481 0.600 -14.936 1.00 10.00 H new ATOM 0 HD2 TYR A 471 2.752 1.429 -11.428 1.00 10.00 H new ATOM 0 HE1 TYR A 471 1.334 -1.703 -14.946 1.00 10.00 H new ATOM 0 HE2 TYR A 471 3.606 -0.873 -11.436 1.00 10.00 H new ATOM 0 HH TYR A 471 3.606 -2.841 -12.436 1.00 10.00 H new