USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=16 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 429 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 430 ASN : amide:sc= -0.201 X(o=-0.2,f=-0.043) USER MOD Set 2.1: A 421 LYS NZ :NH3+ 168:sc= 1.25 (180deg=0) USER MOD Set 2.2: A 439 THR OG1 : rot 130:sc= 1.04 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= -2.43! C(o=-2.4!,f=-2.3!) USER MOD Single : A 431 MET CE :methyl -141:sc= -3.12 (180deg=-5.4!) USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD Single : A 435 GLN : amide:sc= -1.51 K(o=-1.5,f=-0.53) USER MOD Single : A 437 LYS NZ :NH3+ -111:sc= -1.17 (180deg=-3.64!) USER MOD Single : A 443 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00389) USER MOD Single : A 445 MET CE :methyl -118:sc= -1.49 (180deg=-3.47!) USER MOD Single : A 446 GLN : amide:sc= -0.395 X(o=-0.39,f=-0.11) USER MOD Single : A 447 HIS : no HE2:sc= -16.6! C(o=-17!,f=-15!) USER MOD Single : A 449 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 450 ASN : amide:sc= -2.57! X(o=-2.6!,f=-3) USER MOD Single : A 456 SER OG : rot 180:sc= 0 USER MOD Single : A 461 LYS NZ :NH3+ 143:sc= -3.93! (180deg=-6.53!) USER MOD Single : A 462 THR OG1 : rot 180:sc= 0.127 USER MOD Single : A 466 CYS SG : rot 32:sc= 0.793 USER MOD Single : A 469 TYR OH : rot 30:sc= -3.58! USER MOD Single : A 470 TYR OH : rot 180:sc= 0 USER MOD Single : A 471 TYR OH : rot 180:sc= -1.01 USER MOD ----------------------------------------------------------------- ATOM 111 N LYS A 421 -0.856 -4.740 8.983 1.00 10.00 N ATOM 112 CA LYS A 421 -1.436 -4.861 7.650 1.00 10.00 C ATOM 113 C LYS A 421 -0.346 -4.986 6.595 1.00 10.00 C ATOM 114 O LYS A 421 0.245 -3.991 6.175 1.00 10.00 O ATOM 115 CB LYS A 421 -2.333 -3.667 7.342 1.00 10.00 C ATOM 116 CG LYS A 421 -2.890 -3.691 5.930 1.00 10.00 C ATOM 117 CD LYS A 421 -4.233 -4.392 5.863 1.00 10.00 C ATOM 118 CE LYS A 421 -5.264 -3.720 6.757 1.00 10.00 C ATOM 119 NZ LYS A 421 -6.600 -3.646 6.103 1.00 10.00 N ATOM 0 HA LYS A 421 -2.043 -5.766 7.628 1.00 10.00 H new ATOM 0 HB2 LYS A 421 -3.160 -3.648 8.052 1.00 10.00 H new ATOM 0 HB3 LYS A 421 -1.767 -2.747 7.487 1.00 10.00 H new ATOM 0 HG2 LYS A 421 -2.995 -2.670 5.564 1.00 10.00 H new ATOM 0 HG3 LYS A 421 -2.184 -4.195 5.270 1.00 10.00 H new ATOM 0 HD2 LYS A 421 -4.591 -4.395 4.833 1.00 10.00 H new ATOM 0 HD3 LYS A 421 -4.115 -5.433 6.163 1.00 10.00 H new ATOM 0 HE2 LYS A 421 -5.348 -4.272 7.693 1.00 10.00 H new ATOM 0 HE3 LYS A 421 -4.926 -2.715 7.009 1.00 10.00 H new ATOM 0 HZ1 LYS A 421 -7.316 -3.373 6.806 1.00 10.00 H new ATOM 0 HZ2 LYS A 421 -6.575 -2.938 5.341 1.00 10.00 H new ATOM 0 HZ3 LYS A 421 -6.843 -4.575 5.704 1.00 10.00 H new ATOM 133 N VAL A 422 -0.085 -6.218 6.179 1.00 10.00 N ATOM 134 CA VAL A 422 0.938 -6.493 5.183 1.00 10.00 C ATOM 135 C VAL A 422 1.033 -7.994 4.918 1.00 10.00 C ATOM 136 O VAL A 422 1.054 -8.443 3.773 1.00 10.00 O ATOM 137 CB VAL A 422 2.298 -5.932 5.643 1.00 10.00 C ATOM 138 CG1 VAL A 422 2.978 -6.857 6.645 1.00 10.00 C ATOM 139 CG2 VAL A 422 3.200 -5.662 4.452 1.00 10.00 C ATOM 0 H VAL A 422 -0.572 -7.047 6.520 1.00 10.00 H new ATOM 0 HA VAL A 422 0.661 -5.999 4.252 1.00 10.00 H new ATOM 0 HB VAL A 422 2.109 -4.986 6.150 1.00 10.00 H new ATOM 0 HG11 VAL A 422 3.934 -6.428 6.946 1.00 10.00 H new ATOM 0 HG12 VAL A 422 2.341 -6.975 7.522 1.00 10.00 H new ATOM 0 HG13 VAL A 422 3.146 -7.831 6.185 1.00 10.00 H new ATOM 0 HG21 VAL A 422 4.154 -5.267 4.800 1.00 10.00 H new ATOM 0 HG22 VAL A 422 3.369 -6.590 3.906 1.00 10.00 H new ATOM 0 HG23 VAL A 422 2.725 -4.935 3.793 1.00 10.00 H new ATOM 149 N TYR A 423 1.063 -8.752 6.004 1.00 10.00 N ATOM 150 CA TYR A 423 1.116 -10.211 5.974 1.00 10.00 C ATOM 151 C TYR A 423 0.247 -10.776 4.853 1.00 10.00 C ATOM 152 O TYR A 423 0.570 -11.806 4.261 1.00 10.00 O ATOM 153 CB TYR A 423 0.628 -10.748 7.327 1.00 10.00 C ATOM 154 CG TYR A 423 -0.677 -10.119 7.772 1.00 10.00 C ATOM 155 CD1 TYR A 423 -0.740 -8.764 8.045 1.00 10.00 C ATOM 156 CD2 TYR A 423 -1.841 -10.865 7.902 1.00 10.00 C ATOM 157 CE1 TYR A 423 -1.901 -8.158 8.432 1.00 10.00 C ATOM 158 CE2 TYR A 423 -3.027 -10.264 8.294 1.00 10.00 C ATOM 159 CZ TYR A 423 -3.051 -8.907 8.557 1.00 10.00 C ATOM 160 OH TYR A 423 -4.225 -8.305 8.947 1.00 10.00 O ATOM 0 H TYR A 423 1.051 -8.366 6.948 1.00 10.00 H new ATOM 0 HA TYR A 423 2.144 -10.522 5.787 1.00 10.00 H new ATOM 0 HB2 TYR A 423 0.501 -11.828 7.260 1.00 10.00 H new ATOM 0 HB3 TYR A 423 1.391 -10.563 8.083 1.00 10.00 H new ATOM 0 HD1 TYR A 423 0.156 -8.168 7.949 1.00 10.00 H new ATOM 0 HD2 TYR A 423 -1.822 -11.925 7.695 1.00 10.00 H new ATOM 0 HE1 TYR A 423 -1.918 -7.098 8.639 1.00 10.00 H new ATOM 0 HE2 TYR A 423 -3.927 -10.852 8.393 1.00 10.00 H new ATOM 0 HH TYR A 423 -4.939 -8.975 8.984 1.00 10.00 H new ATOM 170 N LYS A 424 -0.859 -10.093 4.568 1.00 10.00 N ATOM 171 CA LYS A 424 -1.777 -10.526 3.519 1.00 10.00 C ATOM 172 C LYS A 424 -1.547 -9.736 2.234 1.00 10.00 C ATOM 173 O LYS A 424 -1.861 -10.206 1.141 1.00 10.00 O ATOM 174 CB LYS A 424 -3.225 -10.360 3.980 1.00 10.00 C ATOM 175 CG LYS A 424 -3.714 -11.493 4.870 1.00 10.00 C ATOM 176 CD LYS A 424 -4.534 -12.504 4.086 1.00 10.00 C ATOM 177 CE LYS A 424 -3.682 -13.675 3.623 1.00 10.00 C ATOM 178 NZ LYS A 424 -4.122 -14.195 2.299 1.00 10.00 N ATOM 0 H LYS A 424 -1.141 -9.238 5.048 1.00 10.00 H new ATOM 0 HA LYS A 424 -1.586 -11.580 3.316 1.00 10.00 H new ATOM 0 HB2 LYS A 424 -3.320 -9.418 4.520 1.00 10.00 H new ATOM 0 HB3 LYS A 424 -3.871 -10.292 3.105 1.00 10.00 H new ATOM 0 HG2 LYS A 424 -2.860 -11.992 5.327 1.00 10.00 H new ATOM 0 HG3 LYS A 424 -4.317 -11.085 5.681 1.00 10.00 H new ATOM 0 HD2 LYS A 424 -5.351 -12.871 4.707 1.00 10.00 H new ATOM 0 HD3 LYS A 424 -4.984 -12.016 3.221 1.00 10.00 H new ATOM 0 HE2 LYS A 424 -2.639 -13.363 3.562 1.00 10.00 H new ATOM 0 HE3 LYS A 424 -3.733 -14.475 4.362 1.00 10.00 H new ATOM 0 HZ1 LYS A 424 -3.515 -14.992 2.020 1.00 10.00 H new ATOM 0 HZ2 LYS A 424 -5.109 -14.517 2.363 1.00 10.00 H new ATOM 0 HZ3 LYS A 424 -4.050 -13.440 1.588 1.00 10.00 H new ATOM 192 N ASP A 425 -0.999 -8.534 2.375 1.00 10.00 N ATOM 193 CA ASP A 425 -0.727 -7.677 1.227 1.00 10.00 C ATOM 194 C ASP A 425 0.467 -8.183 0.416 1.00 10.00 C ATOM 195 O ASP A 425 0.715 -7.706 -0.689 1.00 10.00 O ATOM 196 CB ASP A 425 -0.470 -6.242 1.690 1.00 10.00 C ATOM 197 CG ASP A 425 -1.614 -5.686 2.515 1.00 10.00 C ATOM 198 OD1 ASP A 425 -2.733 -6.235 2.426 1.00 10.00 O ATOM 199 OD2 ASP A 425 -1.391 -4.701 3.250 1.00 10.00 O ATOM 0 H ASP A 425 -0.734 -8.131 3.274 1.00 10.00 H new ATOM 0 HA ASP A 425 -1.605 -7.700 0.582 1.00 10.00 H new ATOM 0 HB2 ASP A 425 0.447 -6.212 2.279 1.00 10.00 H new ATOM 0 HB3 ASP A 425 -0.311 -5.606 0.820 1.00 10.00 H new ATOM 204 N ARG A 426 1.204 -9.149 0.961 1.00 10.00 N ATOM 205 CA ARG A 426 2.366 -9.702 0.264 1.00 10.00 C ATOM 206 C ARG A 426 1.997 -10.134 -1.150 1.00 10.00 C ATOM 207 O ARG A 426 2.843 -10.155 -2.045 1.00 10.00 O ATOM 208 CB ARG A 426 2.945 -10.884 1.043 1.00 10.00 C ATOM 209 CG ARG A 426 4.264 -11.393 0.486 1.00 10.00 C ATOM 210 CD ARG A 426 4.697 -12.681 1.166 1.00 10.00 C ATOM 211 NE ARG A 426 6.144 -12.744 1.350 1.00 10.00 N ATOM 212 CZ ARG A 426 7.016 -12.841 0.349 1.00 10.00 C ATOM 213 NH1 ARG A 426 6.592 -12.885 -0.907 1.00 10.00 N ATOM 214 NH2 ARG A 426 8.316 -12.891 0.606 1.00 10.00 N ATOM 0 H ARG A 426 1.020 -9.563 1.875 1.00 10.00 H new ATOM 0 HA ARG A 426 3.123 -8.921 0.198 1.00 10.00 H new ATOM 0 HB2 ARG A 426 3.089 -10.588 2.082 1.00 10.00 H new ATOM 0 HB3 ARG A 426 2.221 -11.699 1.041 1.00 10.00 H new ATOM 0 HG2 ARG A 426 4.166 -11.562 -0.586 1.00 10.00 H new ATOM 0 HG3 ARG A 426 5.034 -10.633 0.620 1.00 10.00 H new ATOM 0 HD2 ARG A 426 4.205 -12.762 2.135 1.00 10.00 H new ATOM 0 HD3 ARG A 426 4.370 -13.533 0.570 1.00 10.00 H new ATOM 0 HE ARG A 426 6.508 -12.712 2.302 1.00 10.00 H new ATOM 0 HH11 ARG A 426 5.593 -12.844 -1.110 1.00 10.00 H new ATOM 0 HH12 ARG A 426 7.265 -12.959 -1.670 1.00 10.00 H new ATOM 0 HH21 ARG A 426 8.647 -12.855 1.570 1.00 10.00 H new ATOM 0 HH22 ARG A 426 8.985 -12.965 -0.160 1.00 10.00 H new ATOM 228 N GLN A 427 0.725 -10.458 -1.351 1.00 10.00 N ATOM 229 CA GLN A 427 0.238 -10.865 -2.664 1.00 10.00 C ATOM 230 C GLN A 427 -0.431 -9.682 -3.349 1.00 10.00 C ATOM 231 O GLN A 427 -1.387 -9.837 -4.107 1.00 10.00 O ATOM 232 CB GLN A 427 -0.736 -12.052 -2.559 1.00 10.00 C ATOM 233 CG GLN A 427 -1.195 -12.368 -1.141 1.00 10.00 C ATOM 234 CD GLN A 427 -0.075 -12.895 -0.262 1.00 10.00 C ATOM 235 OE1 GLN A 427 0.773 -13.665 -0.712 1.00 10.00 O ATOM 236 NE2 GLN A 427 -0.068 -12.479 1.000 1.00 10.00 N ATOM 0 H GLN A 427 0.012 -10.447 -0.622 1.00 10.00 H new ATOM 0 HA GLN A 427 1.089 -11.193 -3.261 1.00 10.00 H new ATOM 0 HB2 GLN A 427 -1.612 -11.842 -3.173 1.00 10.00 H new ATOM 0 HB3 GLN A 427 -0.257 -12.937 -2.978 1.00 10.00 H new ATOM 0 HG2 GLN A 427 -1.611 -11.467 -0.690 1.00 10.00 H new ATOM 0 HG3 GLN A 427 -1.997 -13.105 -1.180 1.00 10.00 H new ATOM 0 HE21 GLN A 427 -0.791 -11.840 1.330 1.00 10.00 H new ATOM 0 HE22 GLN A 427 0.661 -12.799 1.638 1.00 10.00 H new ATOM 245 N VAL A 428 0.100 -8.495 -3.072 1.00 10.00 N ATOM 246 CA VAL A 428 -0.406 -7.259 -3.645 1.00 10.00 C ATOM 247 C VAL A 428 0.636 -6.641 -4.561 1.00 10.00 C ATOM 248 O VAL A 428 0.300 -5.996 -5.553 1.00 10.00 O ATOM 249 CB VAL A 428 -0.775 -6.243 -2.552 1.00 10.00 C ATOM 250 CG1 VAL A 428 -1.169 -4.912 -3.169 1.00 10.00 C ATOM 251 CG2 VAL A 428 -1.890 -6.784 -1.676 1.00 10.00 C ATOM 0 H VAL A 428 0.893 -8.366 -2.444 1.00 10.00 H new ATOM 0 HA VAL A 428 -1.304 -7.505 -4.213 1.00 10.00 H new ATOM 0 HB VAL A 428 0.101 -6.079 -1.925 1.00 10.00 H new ATOM 0 HG11 VAL A 428 -1.427 -4.207 -2.379 1.00 10.00 H new ATOM 0 HG12 VAL A 428 -0.334 -4.518 -3.749 1.00 10.00 H new ATOM 0 HG13 VAL A 428 -2.029 -5.055 -3.823 1.00 10.00 H new ATOM 0 HG21 VAL A 428 -2.138 -6.051 -0.908 1.00 10.00 H new ATOM 0 HG22 VAL A 428 -2.771 -6.980 -2.288 1.00 10.00 H new ATOM 0 HG23 VAL A 428 -1.564 -7.710 -1.202 1.00 10.00 H new ATOM 261 N MET A 429 1.909 -6.851 -4.229 1.00 10.00 N ATOM 262 CA MET A 429 3.003 -6.321 -5.038 1.00 10.00 C ATOM 263 C MET A 429 2.762 -6.600 -6.520 1.00 10.00 C ATOM 264 O MET A 429 3.264 -5.886 -7.388 1.00 10.00 O ATOM 265 CB MET A 429 4.334 -6.935 -4.601 1.00 10.00 C ATOM 266 CG MET A 429 4.403 -8.441 -4.798 1.00 10.00 C ATOM 267 SD MET A 429 6.044 -9.003 -5.288 1.00 10.00 S ATOM 268 CE MET A 429 5.821 -10.779 -5.245 1.00 10.00 C ATOM 0 H MET A 429 2.206 -7.381 -3.410 1.00 10.00 H new ATOM 0 HA MET A 429 3.045 -5.242 -4.889 1.00 10.00 H new ATOM 0 HB2 MET A 429 5.142 -6.466 -5.162 1.00 10.00 H new ATOM 0 HB3 MET A 429 4.502 -6.707 -3.549 1.00 10.00 H new ATOM 0 HG2 MET A 429 4.115 -8.938 -3.872 1.00 10.00 H new ATOM 0 HG3 MET A 429 3.680 -8.738 -5.558 1.00 10.00 H new ATOM 0 HE1 MET A 429 6.753 -11.270 -5.525 1.00 10.00 H new ATOM 0 HE2 MET A 429 5.538 -11.086 -4.238 1.00 10.00 H new ATOM 0 HE3 MET A 429 5.036 -11.064 -5.945 1.00 10.00 H new ATOM 278 N ASN A 430 1.985 -7.646 -6.798 1.00 10.00 N ATOM 279 CA ASN A 430 1.670 -8.026 -8.166 1.00 10.00 C ATOM 280 C ASN A 430 0.162 -8.160 -8.370 1.00 10.00 C ATOM 281 O ASN A 430 -0.286 -8.834 -9.298 1.00 10.00 O ATOM 282 CB ASN A 430 2.357 -9.349 -8.505 1.00 10.00 C ATOM 283 CG ASN A 430 3.771 -9.153 -9.016 1.00 10.00 C ATOM 284 OD1 ASN A 430 4.719 -9.742 -8.496 1.00 10.00 O ATOM 285 ND2 ASN A 430 3.921 -8.321 -10.040 1.00 10.00 N ATOM 0 H ASN A 430 1.563 -8.245 -6.088 1.00 10.00 H new ATOM 0 HA ASN A 430 2.034 -7.242 -8.830 1.00 10.00 H new ATOM 0 HB2 ASN A 430 2.379 -9.981 -7.618 1.00 10.00 H new ATOM 0 HB3 ASN A 430 1.772 -9.877 -9.258 1.00 10.00 H new ATOM 0 HD21 ASN A 430 4.849 -8.149 -10.426 1.00 10.00 H new ATOM 0 HD22 ASN A 430 3.108 -7.854 -10.441 1.00 10.00 H new ATOM 292 N MET A 431 -0.620 -7.516 -7.504 1.00 10.00 N ATOM 293 CA MET A 431 -2.077 -7.570 -7.600 1.00 10.00 C ATOM 294 C MET A 431 -2.744 -6.906 -6.401 1.00 10.00 C ATOM 295 O MET A 431 -3.096 -7.573 -5.429 1.00 10.00 O ATOM 296 CB MET A 431 -2.578 -9.016 -7.714 1.00 10.00 C ATOM 297 CG MET A 431 -1.660 -10.046 -7.073 1.00 10.00 C ATOM 298 SD MET A 431 -2.551 -11.493 -6.466 1.00 10.00 S ATOM 299 CE MET A 431 -3.751 -10.726 -5.380 1.00 10.00 C ATOM 0 H MET A 431 -0.269 -6.952 -6.730 1.00 10.00 H new ATOM 0 HA MET A 431 -2.348 -7.024 -8.504 1.00 10.00 H new ATOM 0 HB2 MET A 431 -3.562 -9.085 -7.251 1.00 10.00 H new ATOM 0 HB3 MET A 431 -2.703 -9.263 -8.768 1.00 10.00 H new ATOM 0 HG2 MET A 431 -0.913 -10.363 -7.801 1.00 10.00 H new ATOM 0 HG3 MET A 431 -1.122 -9.582 -6.246 1.00 10.00 H new ATOM 0 HE1 MET A 431 -3.877 -11.338 -4.487 1.00 10.00 H new ATOM 0 HE2 MET A 431 -3.401 -9.734 -5.094 1.00 10.00 H new ATOM 0 HE3 MET A 431 -4.706 -10.639 -5.897 1.00 10.00 H new ATOM 309 N TRP A 432 -2.957 -5.602 -6.493 1.00 10.00 N ATOM 310 CA TRP A 432 -3.627 -4.868 -5.428 1.00 10.00 C ATOM 311 C TRP A 432 -5.129 -4.983 -5.638 1.00 10.00 C ATOM 312 O TRP A 432 -5.714 -4.269 -6.452 1.00 10.00 O ATOM 313 CB TRP A 432 -3.205 -3.394 -5.407 1.00 10.00 C ATOM 314 CG TRP A 432 -1.757 -3.132 -5.732 1.00 10.00 C ATOM 315 CD1 TRP A 432 -1.111 -3.407 -6.900 1.00 10.00 C ATOM 316 CD2 TRP A 432 -0.780 -2.512 -4.882 1.00 10.00 C ATOM 317 NE1 TRP A 432 0.185 -2.968 -6.838 1.00 10.00 N ATOM 318 CE2 TRP A 432 0.416 -2.428 -5.612 1.00 10.00 C ATOM 319 CE3 TRP A 432 -0.804 -2.012 -3.584 1.00 10.00 C ATOM 320 CZ2 TRP A 432 1.573 -1.859 -5.088 1.00 10.00 C ATOM 321 CZ3 TRP A 432 0.344 -1.455 -3.057 1.00 10.00 C ATOM 322 CH2 TRP A 432 1.519 -1.379 -3.810 1.00 10.00 C ATOM 0 H TRP A 432 -2.677 -5.031 -7.291 1.00 10.00 H new ATOM 0 HA TRP A 432 -3.343 -5.297 -4.467 1.00 10.00 H new ATOM 0 HB2 TRP A 432 -3.824 -2.846 -6.117 1.00 10.00 H new ATOM 0 HB3 TRP A 432 -3.417 -2.987 -4.419 1.00 10.00 H new ATOM 0 HD1 TRP A 432 -1.557 -3.900 -7.751 1.00 10.00 H new ATOM 0 HE1 TRP A 432 0.868 -3.036 -7.592 1.00 10.00 H new ATOM 0 HE3 TRP A 432 -1.709 -2.059 -2.996 1.00 10.00 H new ATOM 0 HZ2 TRP A 432 2.481 -1.799 -5.670 1.00 10.00 H new ATOM 0 HZ3 TRP A 432 0.334 -1.072 -2.047 1.00 10.00 H new ATOM 0 HH2 TRP A 432 2.400 -0.933 -3.374 1.00 10.00 H new ATOM 333 N SER A 433 -5.738 -5.913 -4.918 1.00 10.00 N ATOM 334 CA SER A 433 -7.171 -6.164 -5.040 1.00 10.00 C ATOM 335 C SER A 433 -7.990 -4.953 -4.620 1.00 10.00 C ATOM 336 O SER A 433 -7.573 -4.177 -3.763 1.00 10.00 O ATOM 337 CB SER A 433 -7.571 -7.377 -4.198 1.00 10.00 C ATOM 338 OG SER A 433 -7.464 -8.576 -4.947 1.00 10.00 O ATOM 0 H SER A 433 -5.263 -6.509 -4.240 1.00 10.00 H new ATOM 0 HA SER A 433 -7.381 -6.366 -6.090 1.00 10.00 H new ATOM 0 HB2 SER A 433 -6.933 -7.437 -3.316 1.00 10.00 H new ATOM 0 HB3 SER A 433 -8.595 -7.256 -3.844 1.00 10.00 H new ATOM 0 HG SER A 433 -7.723 -9.336 -4.386 1.00 10.00 H new ATOM 344 N GLU A 434 -9.168 -4.803 -5.222 1.00 10.00 N ATOM 345 CA GLU A 434 -10.054 -3.691 -4.898 1.00 10.00 C ATOM 346 C GLU A 434 -10.215 -3.565 -3.388 1.00 10.00 C ATOM 347 O GLU A 434 -10.429 -2.473 -2.861 1.00 10.00 O ATOM 348 CB GLU A 434 -11.421 -3.888 -5.557 1.00 10.00 C ATOM 349 CG GLU A 434 -12.147 -2.586 -5.856 1.00 10.00 C ATOM 350 CD GLU A 434 -13.594 -2.804 -6.251 1.00 10.00 C ATOM 351 OE1 GLU A 434 -13.892 -3.853 -6.860 1.00 10.00 O ATOM 352 OE2 GLU A 434 -14.430 -1.925 -5.952 1.00 10.00 O ATOM 0 H GLU A 434 -9.529 -5.437 -5.935 1.00 10.00 H new ATOM 0 HA GLU A 434 -9.610 -2.773 -5.282 1.00 10.00 H new ATOM 0 HB2 GLU A 434 -11.290 -4.443 -6.486 1.00 10.00 H new ATOM 0 HB3 GLU A 434 -12.044 -4.500 -4.905 1.00 10.00 H new ATOM 0 HG2 GLU A 434 -12.107 -1.942 -4.978 1.00 10.00 H new ATOM 0 HG3 GLU A 434 -11.630 -2.062 -6.660 1.00 10.00 H new ATOM 359 N GLN A 435 -10.094 -4.695 -2.697 1.00 10.00 N ATOM 360 CA GLN A 435 -10.210 -4.724 -1.247 1.00 10.00 C ATOM 361 C GLN A 435 -8.863 -4.429 -0.603 1.00 10.00 C ATOM 362 O GLN A 435 -8.796 -3.825 0.467 1.00 10.00 O ATOM 363 CB GLN A 435 -10.729 -6.083 -0.780 1.00 10.00 C ATOM 364 CG GLN A 435 -12.239 -6.228 -0.880 1.00 10.00 C ATOM 365 CD GLN A 435 -12.766 -5.897 -2.263 1.00 10.00 C ATOM 366 OE1 GLN A 435 -12.949 -6.782 -3.098 1.00 10.00 O ATOM 367 NE2 GLN A 435 -13.013 -4.616 -2.510 1.00 10.00 N ATOM 0 H GLN A 435 -9.915 -5.605 -3.122 1.00 10.00 H new ATOM 0 HA GLN A 435 -10.921 -3.956 -0.943 1.00 10.00 H new ATOM 0 HB2 GLN A 435 -10.258 -6.866 -1.374 1.00 10.00 H new ATOM 0 HB3 GLN A 435 -10.425 -6.242 0.255 1.00 10.00 H new ATOM 0 HG2 GLN A 435 -12.520 -7.249 -0.623 1.00 10.00 H new ATOM 0 HG3 GLN A 435 -12.712 -5.573 -0.148 1.00 10.00 H new ATOM 0 HE21 GLN A 435 -12.846 -3.916 -1.787 1.00 10.00 H new ATOM 0 HE22 GLN A 435 -13.369 -4.332 -3.423 1.00 10.00 H new ATOM 376 N GLU A 436 -7.787 -4.844 -1.266 1.00 10.00 N ATOM 377 CA GLU A 436 -6.453 -4.606 -0.761 1.00 10.00 C ATOM 378 C GLU A 436 -6.093 -3.144 -0.967 1.00 10.00 C ATOM 379 O GLU A 436 -5.708 -2.449 -0.026 1.00 10.00 O ATOM 380 CB GLU A 436 -5.467 -5.545 -1.455 1.00 10.00 C ATOM 381 CG GLU A 436 -4.769 -6.497 -0.496 1.00 10.00 C ATOM 382 CD GLU A 436 -4.633 -7.900 -1.056 1.00 10.00 C ATOM 383 OE1 GLU A 436 -5.483 -8.296 -1.881 1.00 10.00 O ATOM 384 OE2 GLU A 436 -3.675 -8.604 -0.670 1.00 10.00 O ATOM 0 H GLU A 436 -7.821 -5.346 -2.153 1.00 10.00 H new ATOM 0 HA GLU A 436 -6.407 -4.814 0.308 1.00 10.00 H new ATOM 0 HB2 GLU A 436 -5.998 -6.125 -2.210 1.00 10.00 H new ATOM 0 HB3 GLU A 436 -4.717 -4.952 -1.978 1.00 10.00 H new ATOM 0 HG2 GLU A 436 -3.779 -6.107 -0.261 1.00 10.00 H new ATOM 0 HG3 GLU A 436 -5.327 -6.537 0.440 1.00 10.00 H new ATOM 391 N LYS A 437 -6.275 -2.668 -2.192 1.00 10.00 N ATOM 392 CA LYS A 437 -6.026 -1.266 -2.517 1.00 10.00 C ATOM 393 C LYS A 437 -6.824 -0.376 -1.574 1.00 10.00 C ATOM 394 O LYS A 437 -6.518 0.797 -1.400 1.00 10.00 O ATOM 395 CB LYS A 437 -6.430 -0.990 -3.967 1.00 10.00 C ATOM 396 CG LYS A 437 -5.683 0.171 -4.602 1.00 10.00 C ATOM 397 CD LYS A 437 -6.569 0.943 -5.568 1.00 10.00 C ATOM 398 CE LYS A 437 -7.796 1.513 -4.873 1.00 10.00 C ATOM 399 NZ LYS A 437 -8.998 0.654 -5.068 1.00 10.00 N ATOM 0 H LYS A 437 -6.595 -3.232 -2.980 1.00 10.00 H new ATOM 0 HA LYS A 437 -4.964 -1.050 -2.400 1.00 10.00 H new ATOM 0 HB2 LYS A 437 -6.257 -1.888 -4.560 1.00 10.00 H new ATOM 0 HB3 LYS A 437 -7.500 -0.785 -4.003 1.00 10.00 H new ATOM 0 HG2 LYS A 437 -5.322 0.842 -3.823 1.00 10.00 H new ATOM 0 HG3 LYS A 437 -4.807 -0.204 -5.131 1.00 10.00 H new ATOM 0 HD2 LYS A 437 -5.996 1.754 -6.018 1.00 10.00 H new ATOM 0 HD3 LYS A 437 -6.883 0.286 -6.379 1.00 10.00 H new ATOM 0 HE2 LYS A 437 -7.593 1.616 -3.807 1.00 10.00 H new ATOM 0 HE3 LYS A 437 -7.999 2.513 -5.257 1.00 10.00 H new ATOM 0 HZ1 LYS A 437 -9.681 1.146 -5.679 1.00 10.00 H new ATOM 0 HZ2 LYS A 437 -8.716 -0.242 -5.515 1.00 10.00 H new ATOM 0 HZ3 LYS A 437 -9.438 0.458 -4.146 1.00 10.00 H new ATOM 413 N GLU A 438 -7.849 -0.958 -0.959 1.00 10.00 N ATOM 414 CA GLU A 438 -8.694 -0.230 -0.028 1.00 10.00 C ATOM 415 C GLU A 438 -7.902 0.239 1.186 1.00 10.00 C ATOM 416 O GLU A 438 -8.253 1.237 1.810 1.00 10.00 O ATOM 417 CB GLU A 438 -9.857 -1.111 0.425 1.00 10.00 C ATOM 418 CG GLU A 438 -11.148 -0.344 0.660 1.00 10.00 C ATOM 419 CD GLU A 438 -11.350 0.022 2.117 1.00 10.00 C ATOM 420 OE1 GLU A 438 -11.771 -0.858 2.898 1.00 10.00 O ATOM 421 OE2 GLU A 438 -11.089 1.189 2.478 1.00 10.00 O ATOM 0 H GLU A 438 -8.112 -1.935 -1.091 1.00 10.00 H new ATOM 0 HA GLU A 438 -9.082 0.648 -0.544 1.00 10.00 H new ATOM 0 HB2 GLU A 438 -10.033 -1.880 -0.327 1.00 10.00 H new ATOM 0 HB3 GLU A 438 -9.576 -1.623 1.345 1.00 10.00 H new ATOM 0 HG2 GLU A 438 -11.141 0.565 0.058 1.00 10.00 H new ATOM 0 HG3 GLU A 438 -11.991 -0.945 0.320 1.00 10.00 H new ATOM 428 N THR A 439 -6.844 -0.487 1.532 1.00 10.00 N ATOM 429 CA THR A 439 -6.034 -0.123 2.691 1.00 10.00 C ATOM 430 C THR A 439 -4.931 0.868 2.322 1.00 10.00 C ATOM 431 O THR A 439 -4.755 1.886 2.991 1.00 10.00 O ATOM 432 CB THR A 439 -5.428 -1.374 3.329 1.00 10.00 C ATOM 433 OG1 THR A 439 -6.444 -2.218 3.840 1.00 10.00 O ATOM 434 CG2 THR A 439 -4.471 -1.071 4.464 1.00 10.00 C ATOM 0 H THR A 439 -6.530 -1.320 1.035 1.00 10.00 H new ATOM 0 HA THR A 439 -6.691 0.365 3.411 1.00 10.00 H new ATOM 0 HB THR A 439 -4.871 -1.861 2.529 1.00 10.00 H new ATOM 0 HG1 THR A 439 -6.302 -3.133 3.518 1.00 10.00 H new ATOM 0 HG21 THR A 439 -4.080 -2.004 4.869 1.00 10.00 H new ATOM 0 HG22 THR A 439 -3.646 -0.463 4.092 1.00 10.00 H new ATOM 0 HG23 THR A 439 -4.998 -0.528 5.249 1.00 10.00 H new ATOM 442 N PHE A 440 -4.188 0.567 1.266 1.00 10.00 N ATOM 443 CA PHE A 440 -3.107 1.430 0.825 1.00 10.00 C ATOM 444 C PHE A 440 -3.662 2.676 0.146 1.00 10.00 C ATOM 445 O PHE A 440 -3.097 3.763 0.267 1.00 10.00 O ATOM 446 CB PHE A 440 -2.179 0.672 -0.128 1.00 10.00 C ATOM 447 CG PHE A 440 -2.553 -0.756 -0.335 1.00 10.00 C ATOM 448 CD1 PHE A 440 -2.445 -1.690 0.680 1.00 10.00 C ATOM 449 CD2 PHE A 440 -3.025 -1.158 -1.558 1.00 10.00 C ATOM 450 CE1 PHE A 440 -2.806 -3.000 0.459 1.00 10.00 C ATOM 451 CE2 PHE A 440 -3.385 -2.457 -1.783 1.00 10.00 C ATOM 452 CZ PHE A 440 -3.276 -3.373 -0.782 1.00 10.00 C ATOM 0 H PHE A 440 -4.317 -0.271 0.699 1.00 10.00 H new ATOM 0 HA PHE A 440 -2.533 1.740 1.698 1.00 10.00 H new ATOM 0 HB2 PHE A 440 -2.175 1.179 -1.093 1.00 10.00 H new ATOM 0 HB3 PHE A 440 -1.162 0.717 0.260 1.00 10.00 H new ATOM 0 HD1 PHE A 440 -2.076 -1.390 1.650 1.00 10.00 H new ATOM 0 HD2 PHE A 440 -3.114 -0.436 -2.357 1.00 10.00 H new ATOM 0 HE1 PHE A 440 -2.722 -3.729 1.251 1.00 10.00 H new ATOM 0 HE2 PHE A 440 -3.755 -2.756 -2.753 1.00 10.00 H new ATOM 0 HZ PHE A 440 -3.560 -4.399 -0.961 1.00 10.00 H new ATOM 462 N ARG A 441 -4.780 2.518 -0.561 1.00 10.00 N ATOM 463 CA ARG A 441 -5.404 3.645 -1.240 1.00 10.00 C ATOM 464 C ARG A 441 -6.152 4.521 -0.241 1.00 10.00 C ATOM 465 O ARG A 441 -6.372 5.708 -0.486 1.00 10.00 O ATOM 466 CB ARG A 441 -6.366 3.175 -2.331 1.00 10.00 C ATOM 467 CG ARG A 441 -6.732 4.264 -3.326 1.00 10.00 C ATOM 468 CD ARG A 441 -7.943 5.058 -2.864 1.00 10.00 C ATOM 469 NE ARG A 441 -8.866 5.340 -3.961 1.00 10.00 N ATOM 470 CZ ARG A 441 -9.750 4.463 -4.430 1.00 10.00 C ATOM 471 NH1 ARG A 441 -9.834 3.248 -3.904 1.00 10.00 N ATOM 472 NH2 ARG A 441 -10.552 4.801 -5.430 1.00 10.00 N ATOM 0 H ARG A 441 -5.266 1.629 -0.676 1.00 10.00 H new ATOM 0 HA ARG A 441 -4.610 4.227 -1.708 1.00 10.00 H new ATOM 0 HB2 ARG A 441 -5.915 2.340 -2.867 1.00 10.00 H new ATOM 0 HB3 ARG A 441 -7.277 2.799 -1.864 1.00 10.00 H new ATOM 0 HG2 ARG A 441 -5.884 4.936 -3.459 1.00 10.00 H new ATOM 0 HG3 ARG A 441 -6.939 3.816 -4.298 1.00 10.00 H new ATOM 0 HD2 ARG A 441 -8.465 4.502 -2.085 1.00 10.00 H new ATOM 0 HD3 ARG A 441 -7.612 5.996 -2.419 1.00 10.00 H new ATOM 0 HE ARG A 441 -8.831 6.263 -4.393 1.00 10.00 H new ATOM 0 HH11 ARG A 441 -9.219 2.981 -3.135 1.00 10.00 H new ATOM 0 HH12 ARG A 441 -10.514 2.580 -4.268 1.00 10.00 H new ATOM 0 HH21 ARG A 441 -10.491 5.733 -5.840 1.00 10.00 H new ATOM 0 HH22 ARG A 441 -11.230 4.129 -5.790 1.00 10.00 H new ATOM 486 N GLU A 442 -6.540 3.932 0.893 1.00 10.00 N ATOM 487 CA GLU A 442 -7.257 4.673 1.923 1.00 10.00 C ATOM 488 C GLU A 442 -6.279 5.423 2.811 1.00 10.00 C ATOM 489 O GLU A 442 -6.553 6.541 3.245 1.00 10.00 O ATOM 490 CB GLU A 442 -8.121 3.736 2.769 1.00 10.00 C ATOM 491 CG GLU A 442 -8.827 4.429 3.924 1.00 10.00 C ATOM 492 CD GLU A 442 -10.221 3.887 4.165 1.00 10.00 C ATOM 493 OE1 GLU A 442 -10.338 2.758 4.686 1.00 10.00 O ATOM 494 OE2 GLU A 442 -11.197 4.592 3.833 1.00 10.00 O ATOM 0 H GLU A 442 -6.369 2.951 1.116 1.00 10.00 H new ATOM 0 HA GLU A 442 -7.911 5.392 1.429 1.00 10.00 H new ATOM 0 HB2 GLU A 442 -8.867 3.267 2.128 1.00 10.00 H new ATOM 0 HB3 GLU A 442 -7.494 2.937 3.165 1.00 10.00 H new ATOM 0 HG2 GLU A 442 -8.234 4.311 4.831 1.00 10.00 H new ATOM 0 HG3 GLU A 442 -8.887 5.498 3.719 1.00 10.00 H new ATOM 501 N LYS A 443 -5.127 4.812 3.063 1.00 10.00 N ATOM 502 CA LYS A 443 -4.111 5.439 3.881 1.00 10.00 C ATOM 503 C LYS A 443 -3.410 6.516 3.073 1.00 10.00 C ATOM 504 O LYS A 443 -3.191 7.622 3.553 1.00 10.00 O ATOM 505 CB LYS A 443 -3.103 4.402 4.376 1.00 10.00 C ATOM 506 CG LYS A 443 -3.643 3.509 5.481 1.00 10.00 C ATOM 507 CD LYS A 443 -3.813 4.274 6.783 1.00 10.00 C ATOM 508 CE LYS A 443 -4.604 3.470 7.803 1.00 10.00 C ATOM 509 NZ LYS A 443 -3.908 2.208 8.174 1.00 10.00 N ATOM 0 H LYS A 443 -4.879 3.887 2.712 1.00 10.00 H new ATOM 0 HA LYS A 443 -4.583 5.892 4.753 1.00 10.00 H new ATOM 0 HB2 LYS A 443 -2.792 3.780 3.537 1.00 10.00 H new ATOM 0 HB3 LYS A 443 -2.213 4.917 4.738 1.00 10.00 H new ATOM 0 HG2 LYS A 443 -4.602 3.091 5.176 1.00 10.00 H new ATOM 0 HG3 LYS A 443 -2.964 2.670 5.637 1.00 10.00 H new ATOM 0 HD2 LYS A 443 -2.833 4.519 7.192 1.00 10.00 H new ATOM 0 HD3 LYS A 443 -4.322 5.218 6.588 1.00 10.00 H new ATOM 0 HE2 LYS A 443 -4.763 4.073 8.697 1.00 10.00 H new ATOM 0 HE3 LYS A 443 -5.588 3.236 7.397 1.00 10.00 H new ATOM 0 HZ1 LYS A 443 -4.462 1.705 8.896 1.00 10.00 H new ATOM 0 HZ2 LYS A 443 -3.809 1.606 7.332 1.00 10.00 H new ATOM 0 HZ3 LYS A 443 -2.966 2.430 8.554 1.00 10.00 H new ATOM 523 N PHE A 444 -3.090 6.196 1.824 1.00 10.00 N ATOM 524 CA PHE A 444 -2.444 7.151 0.943 1.00 10.00 C ATOM 525 C PHE A 444 -3.392 8.303 0.690 1.00 10.00 C ATOM 526 O PHE A 444 -2.972 9.448 0.521 1.00 10.00 O ATOM 527 CB PHE A 444 -2.016 6.464 -0.354 1.00 10.00 C ATOM 528 CG PHE A 444 -1.314 7.371 -1.321 1.00 10.00 C ATOM 529 CD1 PHE A 444 -1.993 8.404 -1.948 1.00 10.00 C ATOM 530 CD2 PHE A 444 0.030 7.189 -1.604 1.00 10.00 C ATOM 531 CE1 PHE A 444 -1.346 9.237 -2.838 1.00 10.00 C ATOM 532 CE2 PHE A 444 0.682 8.020 -2.494 1.00 10.00 C ATOM 533 CZ PHE A 444 -0.006 9.046 -3.112 1.00 10.00 C ATOM 0 H PHE A 444 -3.268 5.284 1.403 1.00 10.00 H new ATOM 0 HA PHE A 444 -1.541 7.546 1.409 1.00 10.00 H new ATOM 0 HB2 PHE A 444 -1.358 5.629 -0.111 1.00 10.00 H new ATOM 0 HB3 PHE A 444 -2.897 6.045 -0.839 1.00 10.00 H new ATOM 0 HD1 PHE A 444 -3.041 8.559 -1.738 1.00 10.00 H new ATOM 0 HD2 PHE A 444 0.574 6.389 -1.124 1.00 10.00 H new ATOM 0 HE1 PHE A 444 -1.887 10.038 -3.320 1.00 10.00 H new ATOM 0 HE2 PHE A 444 1.730 7.868 -2.707 1.00 10.00 H new ATOM 0 HZ PHE A 444 0.503 9.697 -3.808 1.00 10.00 H new ATOM 543 N MET A 445 -4.684 8.001 0.732 1.00 10.00 N ATOM 544 CA MET A 445 -5.696 9.021 0.578 1.00 10.00 C ATOM 545 C MET A 445 -5.786 9.797 1.889 1.00 10.00 C ATOM 546 O MET A 445 -6.108 10.984 1.916 1.00 10.00 O ATOM 547 CB MET A 445 -7.051 8.402 0.226 1.00 10.00 C ATOM 548 CG MET A 445 -7.255 8.190 -1.265 1.00 10.00 C ATOM 549 SD MET A 445 -7.393 9.742 -2.173 1.00 10.00 S ATOM 550 CE MET A 445 -5.696 9.988 -2.686 1.00 10.00 C ATOM 0 H MET A 445 -5.048 7.058 0.871 1.00 10.00 H new ATOM 0 HA MET A 445 -5.425 9.689 -0.239 1.00 10.00 H new ATOM 0 HB2 MET A 445 -7.147 7.444 0.737 1.00 10.00 H new ATOM 0 HB3 MET A 445 -7.845 9.046 0.605 1.00 10.00 H new ATOM 0 HG2 MET A 445 -6.421 7.613 -1.664 1.00 10.00 H new ATOM 0 HG3 MET A 445 -8.157 7.599 -1.424 1.00 10.00 H new ATOM 0 HE1 MET A 445 -5.313 10.909 -2.247 1.00 10.00 H new ATOM 0 HE2 MET A 445 -5.089 9.147 -2.351 1.00 10.00 H new ATOM 0 HE3 MET A 445 -5.651 10.058 -3.773 1.00 10.00 H new ATOM 560 N GLN A 446 -5.457 9.093 2.973 1.00 10.00 N ATOM 561 CA GLN A 446 -5.446 9.655 4.315 1.00 10.00 C ATOM 562 C GLN A 446 -4.221 10.536 4.496 1.00 10.00 C ATOM 563 O GLN A 446 -4.272 11.588 5.133 1.00 10.00 O ATOM 564 CB GLN A 446 -5.397 8.520 5.342 1.00 10.00 C ATOM 565 CG GLN A 446 -5.818 8.938 6.741 1.00 10.00 C ATOM 566 CD GLN A 446 -6.950 8.089 7.286 1.00 10.00 C ATOM 567 OE1 GLN A 446 -7.872 8.598 7.923 1.00 10.00 O ATOM 568 NE2 GLN A 446 -6.886 6.785 7.037 1.00 10.00 N ATOM 0 H GLN A 446 -5.189 8.109 2.939 1.00 10.00 H new ATOM 0 HA GLN A 446 -6.348 10.250 4.459 1.00 10.00 H new ATOM 0 HB2 GLN A 446 -6.044 7.710 5.005 1.00 10.00 H new ATOM 0 HB3 GLN A 446 -4.383 8.122 5.382 1.00 10.00 H new ATOM 0 HG2 GLN A 446 -4.961 8.868 7.411 1.00 10.00 H new ATOM 0 HG3 GLN A 446 -6.127 9.983 6.727 1.00 10.00 H new ATOM 0 HE21 GLN A 446 -6.103 6.405 6.505 1.00 10.00 H new ATOM 0 HE22 GLN A 446 -7.620 6.164 7.378 1.00 10.00 H new ATOM 577 N HIS A 447 -3.116 10.069 3.934 1.00 10.00 N ATOM 578 CA HIS A 447 -1.845 10.762 4.017 1.00 10.00 C ATOM 579 C HIS A 447 -1.343 11.121 2.619 1.00 10.00 C ATOM 580 O HIS A 447 -0.501 10.424 2.054 1.00 10.00 O ATOM 581 CB HIS A 447 -0.824 9.875 4.741 1.00 10.00 C ATOM 582 CG HIS A 447 -1.439 8.980 5.782 1.00 10.00 C ATOM 583 ND1 HIS A 447 -1.783 9.425 7.041 1.00 10.00 N ATOM 584 CD2 HIS A 447 -1.778 7.662 5.748 1.00 10.00 C ATOM 585 CE1 HIS A 447 -2.302 8.426 7.734 1.00 10.00 C ATOM 586 NE2 HIS A 447 -2.313 7.350 6.973 1.00 10.00 N ATOM 0 H HIS A 447 -3.078 9.197 3.407 1.00 10.00 H new ATOM 0 HA HIS A 447 -1.977 11.686 4.580 1.00 10.00 H new ATOM 0 HB2 HIS A 447 -0.303 9.261 4.007 1.00 10.00 H new ATOM 0 HB3 HIS A 447 -0.075 10.509 5.215 1.00 10.00 H new ATOM 0 HD1 HIS A 447 -1.657 10.377 7.384 1.00 10.00 H new ATOM 0 HD2 HIS A 447 -1.650 6.988 4.914 1.00 10.00 H new ATOM 0 HE1 HIS A 447 -2.657 8.482 8.752 1.00 10.00 H new ATOM 595 N PRO A 448 -1.871 12.212 2.037 1.00 10.00 N ATOM 596 CA PRO A 448 -1.486 12.657 0.692 1.00 10.00 C ATOM 597 C PRO A 448 -0.029 13.095 0.607 1.00 10.00 C ATOM 598 O PRO A 448 0.460 13.837 1.459 1.00 10.00 O ATOM 599 CB PRO A 448 -2.416 13.847 0.425 1.00 10.00 C ATOM 600 CG PRO A 448 -2.836 14.317 1.775 1.00 10.00 C ATOM 601 CD PRO A 448 -2.890 13.090 2.639 1.00 10.00 C ATOM 0 HA PRO A 448 -1.579 11.851 -0.036 1.00 10.00 H new ATOM 0 HB2 PRO A 448 -1.901 14.635 -0.125 1.00 10.00 H new ATOM 0 HB3 PRO A 448 -3.276 13.549 -0.175 1.00 10.00 H new ATOM 0 HG2 PRO A 448 -2.128 15.044 2.173 1.00 10.00 H new ATOM 0 HG3 PRO A 448 -3.808 14.808 1.733 1.00 10.00 H new ATOM 0 HD2 PRO A 448 -2.661 13.319 3.680 1.00 10.00 H new ATOM 0 HD3 PRO A 448 -3.878 12.630 2.624 1.00 10.00 H new ATOM 609 N LYS A 449 0.658 12.631 -0.436 1.00 10.00 N ATOM 610 CA LYS A 449 2.064 12.970 -0.658 1.00 10.00 C ATOM 611 C LYS A 449 2.995 12.185 0.267 1.00 10.00 C ATOM 612 O LYS A 449 4.215 12.332 0.192 1.00 10.00 O ATOM 613 CB LYS A 449 2.291 14.473 -0.468 1.00 10.00 C ATOM 614 CG LYS A 449 3.376 15.042 -1.367 1.00 10.00 C ATOM 615 CD LYS A 449 2.790 15.648 -2.632 1.00 10.00 C ATOM 616 CE LYS A 449 3.722 15.470 -3.818 1.00 10.00 C ATOM 617 NZ LYS A 449 3.346 14.292 -4.648 1.00 10.00 N ATOM 0 H LYS A 449 0.261 12.015 -1.145 1.00 10.00 H new ATOM 0 HA LYS A 449 2.302 12.694 -1.685 1.00 10.00 H new ATOM 0 HB2 LYS A 449 1.357 15.000 -0.661 1.00 10.00 H new ATOM 0 HB3 LYS A 449 2.555 14.664 0.572 1.00 10.00 H new ATOM 0 HG2 LYS A 449 3.938 15.802 -0.825 1.00 10.00 H new ATOM 0 HG3 LYS A 449 4.081 14.254 -1.632 1.00 10.00 H new ATOM 0 HD2 LYS A 449 1.830 15.181 -2.849 1.00 10.00 H new ATOM 0 HD3 LYS A 449 2.599 16.709 -2.474 1.00 10.00 H new ATOM 0 HE2 LYS A 449 3.702 16.369 -4.434 1.00 10.00 H new ATOM 0 HE3 LYS A 449 4.745 15.351 -3.461 1.00 10.00 H new ATOM 0 HZ1 LYS A 449 4.006 14.205 -5.447 1.00 10.00 H new ATOM 0 HZ2 LYS A 449 3.390 13.430 -4.068 1.00 10.00 H new ATOM 0 HZ3 LYS A 449 2.379 14.417 -5.010 1.00 10.00 H new ATOM 631 N ASN A 450 2.427 11.356 1.141 1.00 10.00 N ATOM 632 CA ASN A 450 3.230 10.570 2.066 1.00 10.00 C ATOM 633 C ASN A 450 3.873 9.371 1.375 1.00 10.00 C ATOM 634 O ASN A 450 5.036 9.427 0.975 1.00 10.00 O ATOM 635 CB ASN A 450 2.374 10.096 3.243 1.00 10.00 C ATOM 636 CG ASN A 450 2.110 11.200 4.244 1.00 10.00 C ATOM 637 OD1 ASN A 450 1.902 12.355 3.871 1.00 10.00 O ATOM 638 ND2 ASN A 450 2.119 10.850 5.523 1.00 10.00 N ATOM 0 H ASN A 450 1.420 11.214 1.225 1.00 10.00 H new ATOM 0 HA ASN A 450 4.029 11.213 2.436 1.00 10.00 H new ATOM 0 HB2 ASN A 450 1.424 9.714 2.868 1.00 10.00 H new ATOM 0 HB3 ASN A 450 2.875 9.267 3.743 1.00 10.00 H new ATOM 0 HD21 ASN A 450 1.949 11.550 6.245 1.00 10.00 H new ATOM 0 HD22 ASN A 450 2.296 9.880 5.785 1.00 10.00 H new ATOM 645 N PHE A 451 3.119 8.277 1.266 1.00 10.00 N ATOM 646 CA PHE A 451 3.613 7.045 0.655 1.00 10.00 C ATOM 647 C PHE A 451 4.516 6.292 1.633 1.00 10.00 C ATOM 648 O PHE A 451 4.686 5.077 1.525 1.00 10.00 O ATOM 649 CB PHE A 451 4.366 7.325 -0.657 1.00 10.00 C ATOM 650 CG PHE A 451 3.740 6.712 -1.888 1.00 10.00 C ATOM 651 CD1 PHE A 451 2.831 5.666 -1.793 1.00 10.00 C ATOM 652 CD2 PHE A 451 4.059 7.196 -3.148 1.00 10.00 C ATOM 653 CE1 PHE A 451 2.257 5.123 -2.923 1.00 10.00 C ATOM 654 CE2 PHE A 451 3.486 6.653 -4.283 1.00 10.00 C ATOM 655 CZ PHE A 451 2.581 5.617 -4.168 1.00 10.00 C ATOM 0 H PHE A 451 2.156 8.220 1.596 1.00 10.00 H new ATOM 0 HA PHE A 451 2.749 6.425 0.416 1.00 10.00 H new ATOM 0 HB2 PHE A 451 4.432 8.404 -0.799 1.00 10.00 H new ATOM 0 HB3 PHE A 451 5.386 6.953 -0.561 1.00 10.00 H new ATOM 0 HD1 PHE A 451 2.570 5.273 -0.821 1.00 10.00 H new ATOM 0 HD2 PHE A 451 4.765 8.008 -3.244 1.00 10.00 H new ATOM 0 HE1 PHE A 451 1.553 4.309 -2.832 1.00 10.00 H new ATOM 0 HE2 PHE A 451 3.746 7.039 -5.258 1.00 10.00 H new ATOM 0 HZ PHE A 451 2.128 5.194 -5.052 1.00 10.00 H new ATOM 665 N GLY A 452 5.077 7.018 2.600 1.00 10.00 N ATOM 666 CA GLY A 452 5.932 6.402 3.591 1.00 10.00 C ATOM 667 C GLY A 452 5.120 5.722 4.668 1.00 10.00 C ATOM 668 O GLY A 452 5.439 4.610 5.087 1.00 10.00 O ATOM 0 H GLY A 452 4.951 8.024 2.711 1.00 10.00 H new ATOM 0 HA2 GLY A 452 6.584 5.674 3.110 1.00 10.00 H new ATOM 0 HA3 GLY A 452 6.576 7.158 4.040 1.00 10.00 H new ATOM 672 N LEU A 453 4.047 6.384 5.102 1.00 10.00 N ATOM 673 CA LEU A 453 3.171 5.819 6.120 1.00 10.00 C ATOM 674 C LEU A 453 2.611 4.497 5.629 1.00 10.00 C ATOM 675 O LEU A 453 2.698 3.477 6.311 1.00 10.00 O ATOM 676 CB LEU A 453 2.026 6.774 6.452 1.00 10.00 C ATOM 677 CG LEU A 453 0.973 6.201 7.401 1.00 10.00 C ATOM 678 CD1 LEU A 453 0.315 7.311 8.196 1.00 10.00 C ATOM 679 CD2 LEU A 453 -0.063 5.387 6.629 1.00 10.00 C ATOM 0 H LEU A 453 3.768 7.305 4.765 1.00 10.00 H new ATOM 0 HA LEU A 453 3.754 5.659 7.027 1.00 10.00 H new ATOM 0 HB2 LEU A 453 2.442 7.678 6.896 1.00 10.00 H new ATOM 0 HB3 LEU A 453 1.537 7.070 5.524 1.00 10.00 H new ATOM 0 HG LEU A 453 1.468 5.531 8.104 1.00 10.00 H new ATOM 0 HD11 LEU A 453 -0.432 6.885 8.866 1.00 10.00 H new ATOM 0 HD12 LEU A 453 1.070 7.836 8.781 1.00 10.00 H new ATOM 0 HD13 LEU A 453 -0.167 8.011 7.513 1.00 10.00 H new ATOM 0 HD21 LEU A 453 -0.803 4.988 7.323 1.00 10.00 H new ATOM 0 HD22 LEU A 453 -0.558 6.027 5.899 1.00 10.00 H new ATOM 0 HD23 LEU A 453 0.432 4.564 6.114 1.00 10.00 H new ATOM 691 N ILE A 454 2.060 4.519 4.422 1.00 10.00 N ATOM 692 CA ILE A 454 1.518 3.318 3.823 1.00 10.00 C ATOM 693 C ILE A 454 2.623 2.291 3.687 1.00 10.00 C ATOM 694 O ILE A 454 2.526 1.180 4.204 1.00 10.00 O ATOM 695 CB ILE A 454 0.885 3.627 2.456 1.00 10.00 C ATOM 696 CG1 ILE A 454 -0.457 4.295 2.683 1.00 10.00 C ATOM 697 CG2 ILE A 454 0.732 2.370 1.607 1.00 10.00 C ATOM 698 CD1 ILE A 454 -0.365 5.798 2.600 1.00 10.00 C ATOM 0 H ILE A 454 1.979 5.356 3.844 1.00 10.00 H new ATOM 0 HA ILE A 454 0.732 2.918 4.464 1.00 10.00 H new ATOM 0 HB ILE A 454 1.543 4.298 1.904 1.00 10.00 H new ATOM 0 HG12 ILE A 454 -1.171 3.935 1.942 1.00 10.00 H new ATOM 0 HG13 ILE A 454 -0.842 4.010 3.662 1.00 10.00 H new ATOM 0 HG21 ILE A 454 0.281 2.630 0.649 1.00 10.00 H new ATOM 0 HG22 ILE A 454 1.712 1.924 1.437 1.00 10.00 H new ATOM 0 HG23 ILE A 454 0.093 1.656 2.126 1.00 10.00 H new ATOM 0 HD11 ILE A 454 -1.350 6.233 2.769 1.00 10.00 H new ATOM 0 HD12 ILE A 454 0.328 6.163 3.359 1.00 10.00 H new ATOM 0 HD13 ILE A 454 -0.006 6.087 1.612 1.00 10.00 H new ATOM 710 N ALA A 455 3.700 2.703 3.034 1.00 10.00 N ATOM 711 CA ALA A 455 4.866 1.853 2.862 1.00 10.00 C ATOM 712 C ALA A 455 5.434 1.448 4.221 1.00 10.00 C ATOM 713 O ALA A 455 6.306 0.583 4.307 1.00 10.00 O ATOM 714 CB ALA A 455 5.925 2.570 2.038 1.00 10.00 C ATOM 0 H ALA A 455 3.789 3.628 2.612 1.00 10.00 H new ATOM 0 HA ALA A 455 4.563 0.951 2.330 1.00 10.00 H new ATOM 0 HB1 ALA A 455 6.793 1.922 1.917 1.00 10.00 H new ATOM 0 HB2 ALA A 455 5.518 2.817 1.058 1.00 10.00 H new ATOM 0 HB3 ALA A 455 6.225 3.486 2.548 1.00 10.00 H new ATOM 720 N SER A 456 4.929 2.080 5.284 1.00 10.00 N ATOM 721 CA SER A 456 5.386 1.782 6.634 1.00 10.00 C ATOM 722 C SER A 456 4.531 0.690 7.266 1.00 10.00 C ATOM 723 O SER A 456 5.044 -0.167 7.986 1.00 10.00 O ATOM 724 CB SER A 456 5.351 3.043 7.502 1.00 10.00 C ATOM 725 OG SER A 456 6.655 3.565 7.694 1.00 10.00 O ATOM 0 H SER A 456 4.206 2.798 5.231 1.00 10.00 H new ATOM 0 HA SER A 456 6.414 1.425 6.572 1.00 10.00 H new ATOM 0 HB2 SER A 456 4.720 3.796 7.030 1.00 10.00 H new ATOM 0 HB3 SER A 456 4.902 2.811 8.468 1.00 10.00 H new ATOM 0 HG SER A 456 6.606 4.371 8.250 1.00 10.00 H new ATOM 731 N PHE A 457 3.226 0.716 6.996 1.00 10.00 N ATOM 732 CA PHE A 457 2.329 -0.289 7.552 1.00 10.00 C ATOM 733 C PHE A 457 2.307 -1.540 6.670 1.00 10.00 C ATOM 734 O PHE A 457 2.093 -2.649 7.159 1.00 10.00 O ATOM 735 CB PHE A 457 0.918 0.290 7.749 1.00 10.00 C ATOM 736 CG PHE A 457 0.042 0.244 6.530 1.00 10.00 C ATOM 737 CD1 PHE A 457 -0.482 -0.960 6.084 1.00 10.00 C ATOM 738 CD2 PHE A 457 -0.260 1.403 5.828 1.00 10.00 C ATOM 739 CE1 PHE A 457 -1.287 -1.009 4.967 1.00 10.00 C ATOM 740 CE2 PHE A 457 -1.066 1.357 4.710 1.00 10.00 C ATOM 741 CZ PHE A 457 -1.579 0.154 4.279 1.00 10.00 C ATOM 0 H PHE A 457 2.774 1.413 6.404 1.00 10.00 H new ATOM 0 HA PHE A 457 2.703 -0.583 8.533 1.00 10.00 H new ATOM 0 HB2 PHE A 457 0.426 -0.256 8.554 1.00 10.00 H new ATOM 0 HB3 PHE A 457 1.008 1.326 8.075 1.00 10.00 H new ATOM 0 HD1 PHE A 457 -0.256 -1.871 6.619 1.00 10.00 H new ATOM 0 HD2 PHE A 457 0.140 2.349 6.161 1.00 10.00 H new ATOM 0 HE1 PHE A 457 -1.689 -1.953 4.630 1.00 10.00 H new ATOM 0 HE2 PHE A 457 -1.295 2.265 4.172 1.00 10.00 H new ATOM 0 HZ PHE A 457 -2.210 0.119 3.403 1.00 10.00 H new ATOM 751 N LEU A 458 2.554 -1.358 5.372 1.00 10.00 N ATOM 752 CA LEU A 458 2.588 -2.478 4.434 1.00 10.00 C ATOM 753 C LEU A 458 3.971 -2.583 3.787 1.00 10.00 C ATOM 754 O LEU A 458 4.103 -2.585 2.567 1.00 10.00 O ATOM 755 CB LEU A 458 1.501 -2.332 3.358 1.00 10.00 C ATOM 756 CG LEU A 458 1.311 -0.922 2.786 1.00 10.00 C ATOM 757 CD1 LEU A 458 2.611 -0.404 2.191 1.00 10.00 C ATOM 758 CD2 LEU A 458 0.208 -0.915 1.734 1.00 10.00 C ATOM 0 H LEU A 458 2.733 -0.448 4.948 1.00 10.00 H new ATOM 0 HA LEU A 458 2.388 -3.394 4.990 1.00 10.00 H new ATOM 0 HB2 LEU A 458 1.737 -3.008 2.536 1.00 10.00 H new ATOM 0 HB3 LEU A 458 0.552 -2.663 3.780 1.00 10.00 H new ATOM 0 HG LEU A 458 1.017 -0.261 3.601 1.00 10.00 H new ATOM 0 HD11 LEU A 458 2.454 0.598 1.791 1.00 10.00 H new ATOM 0 HD12 LEU A 458 3.377 -0.370 2.965 1.00 10.00 H new ATOM 0 HD13 LEU A 458 2.935 -1.068 1.390 1.00 10.00 H new ATOM 0 HD21 LEU A 458 0.088 0.094 1.340 1.00 10.00 H new ATOM 0 HD22 LEU A 458 0.475 -1.592 0.923 1.00 10.00 H new ATOM 0 HD23 LEU A 458 -0.728 -1.242 2.186 1.00 10.00 H new ATOM 770 N GLU A 459 4.995 -2.653 4.637 1.00 10.00 N ATOM 771 CA GLU A 459 6.398 -2.739 4.209 1.00 10.00 C ATOM 772 C GLU A 459 6.580 -3.448 2.863 1.00 10.00 C ATOM 773 O GLU A 459 7.359 -2.996 2.023 1.00 10.00 O ATOM 774 CB GLU A 459 7.223 -3.455 5.279 1.00 10.00 C ATOM 775 CG GLU A 459 8.713 -3.486 4.977 1.00 10.00 C ATOM 776 CD GLU A 459 9.126 -4.726 4.207 1.00 10.00 C ATOM 777 OE1 GLU A 459 9.083 -4.692 2.959 1.00 10.00 O ATOM 778 OE2 GLU A 459 9.493 -5.731 4.853 1.00 10.00 O ATOM 0 H GLU A 459 4.877 -2.652 5.650 1.00 10.00 H new ATOM 0 HA GLU A 459 6.746 -1.715 4.077 1.00 10.00 H new ATOM 0 HB2 GLU A 459 7.065 -2.962 6.238 1.00 10.00 H new ATOM 0 HB3 GLU A 459 6.860 -4.478 5.382 1.00 10.00 H new ATOM 0 HG2 GLU A 459 8.982 -2.600 4.403 1.00 10.00 H new ATOM 0 HG3 GLU A 459 9.271 -3.441 5.912 1.00 10.00 H new ATOM 785 N ARG A 460 5.876 -4.558 2.664 1.00 10.00 N ATOM 786 CA ARG A 460 5.984 -5.318 1.419 1.00 10.00 C ATOM 787 C ARG A 460 5.875 -4.400 0.204 1.00 10.00 C ATOM 788 O ARG A 460 6.430 -4.689 -0.857 1.00 10.00 O ATOM 789 CB ARG A 460 4.902 -6.399 1.361 1.00 10.00 C ATOM 790 CG ARG A 460 5.252 -7.652 2.148 1.00 10.00 C ATOM 791 CD ARG A 460 6.343 -8.456 1.457 1.00 10.00 C ATOM 792 NE ARG A 460 7.679 -7.993 1.823 1.00 10.00 N ATOM 793 CZ ARG A 460 8.790 -8.357 1.187 1.00 10.00 C ATOM 794 NH1 ARG A 460 8.729 -9.188 0.153 1.00 10.00 N ATOM 795 NH2 ARG A 460 9.965 -7.889 1.583 1.00 10.00 N ATOM 0 H ARG A 460 5.226 -4.952 3.345 1.00 10.00 H new ATOM 0 HA ARG A 460 6.964 -5.795 1.399 1.00 10.00 H new ATOM 0 HB2 ARG A 460 3.968 -5.988 1.745 1.00 10.00 H new ATOM 0 HB3 ARG A 460 4.727 -6.671 0.320 1.00 10.00 H new ATOM 0 HG2 ARG A 460 5.582 -7.374 3.149 1.00 10.00 H new ATOM 0 HG3 ARG A 460 4.362 -8.270 2.266 1.00 10.00 H new ATOM 0 HD2 ARG A 460 6.239 -9.509 1.720 1.00 10.00 H new ATOM 0 HD3 ARG A 460 6.218 -8.384 0.377 1.00 10.00 H new ATOM 0 HE ARG A 460 7.766 -7.353 2.613 1.00 10.00 H new ATOM 0 HH11 ARG A 460 7.828 -9.551 -0.157 1.00 10.00 H new ATOM 0 HH12 ARG A 460 9.584 -9.464 -0.331 1.00 10.00 H new ATOM 0 HH21 ARG A 460 10.018 -7.249 2.376 1.00 10.00 H new ATOM 0 HH22 ARG A 460 10.816 -8.168 1.095 1.00 10.00 H new ATOM 809 N LYS A 461 5.162 -3.292 0.371 1.00 10.00 N ATOM 810 CA LYS A 461 4.983 -2.325 -0.704 1.00 10.00 C ATOM 811 C LYS A 461 5.705 -1.020 -0.374 1.00 10.00 C ATOM 812 O LYS A 461 5.108 -0.084 0.157 1.00 10.00 O ATOM 813 CB LYS A 461 3.490 -2.050 -0.954 1.00 10.00 C ATOM 814 CG LYS A 461 2.535 -2.946 -0.165 1.00 10.00 C ATOM 815 CD LYS A 461 2.724 -4.431 -0.467 1.00 10.00 C ATOM 816 CE LYS A 461 3.202 -4.680 -1.889 1.00 10.00 C ATOM 817 NZ LYS A 461 2.313 -4.036 -2.894 1.00 10.00 N ATOM 0 H LYS A 461 4.697 -3.041 1.244 1.00 10.00 H new ATOM 0 HA LYS A 461 5.413 -2.749 -1.612 1.00 10.00 H new ATOM 0 HB2 LYS A 461 3.279 -1.010 -0.705 1.00 10.00 H new ATOM 0 HB3 LYS A 461 3.285 -2.171 -2.018 1.00 10.00 H new ATOM 0 HG2 LYS A 461 2.684 -2.776 0.901 1.00 10.00 H new ATOM 0 HG3 LYS A 461 1.508 -2.662 -0.393 1.00 10.00 H new ATOM 0 HD2 LYS A 461 3.445 -4.852 0.234 1.00 10.00 H new ATOM 0 HD3 LYS A 461 1.781 -4.954 -0.307 1.00 10.00 H new ATOM 0 HE2 LYS A 461 4.216 -4.297 -2.003 1.00 10.00 H new ATOM 0 HE3 LYS A 461 3.243 -5.753 -2.075 1.00 10.00 H new ATOM 0 HZ1 LYS A 461 2.886 -3.670 -3.681 1.00 10.00 H new ATOM 0 HZ2 LYS A 461 1.634 -4.736 -3.256 1.00 10.00 H new ATOM 0 HZ3 LYS A 461 1.796 -3.251 -2.448 1.00 10.00 H new ATOM 831 N THR A 462 6.997 -0.970 -0.688 1.00 10.00 N ATOM 832 CA THR A 462 7.809 0.214 -0.422 1.00 10.00 C ATOM 833 C THR A 462 7.201 1.459 -1.061 1.00 10.00 C ATOM 834 O THR A 462 6.253 1.369 -1.842 1.00 10.00 O ATOM 835 CB THR A 462 9.236 0.009 -0.936 1.00 10.00 C ATOM 836 OG1 THR A 462 9.467 -1.353 -1.251 1.00 10.00 O ATOM 837 CG2 THR A 462 10.296 0.436 0.055 1.00 10.00 C ATOM 0 H THR A 462 7.505 -1.737 -1.128 1.00 10.00 H new ATOM 0 HA THR A 462 7.835 0.362 0.658 1.00 10.00 H new ATOM 0 HB THR A 462 9.315 0.638 -1.823 1.00 10.00 H new ATOM 0 HG1 THR A 462 10.384 -1.462 -1.579 1.00 10.00 H new ATOM 0 HG21 THR A 462 11.284 0.264 -0.372 1.00 10.00 H new ATOM 0 HG22 THR A 462 10.178 1.496 0.280 1.00 10.00 H new ATOM 0 HG23 THR A 462 10.191 -0.144 0.972 1.00 10.00 H new ATOM 845 N VAL A 463 7.758 2.618 -0.726 1.00 10.00 N ATOM 846 CA VAL A 463 7.279 3.886 -1.265 1.00 10.00 C ATOM 847 C VAL A 463 7.328 3.880 -2.788 1.00 10.00 C ATOM 848 O VAL A 463 6.294 3.938 -3.454 1.00 10.00 O ATOM 849 CB VAL A 463 8.113 5.070 -0.734 1.00 10.00 C ATOM 850 CG1 VAL A 463 7.633 6.386 -1.330 1.00 10.00 C ATOM 851 CG2 VAL A 463 8.064 5.113 0.786 1.00 10.00 C ATOM 0 H VAL A 463 8.544 2.705 -0.082 1.00 10.00 H new ATOM 0 HA VAL A 463 6.246 4.007 -0.938 1.00 10.00 H new ATOM 0 HB VAL A 463 9.149 4.924 -1.041 1.00 10.00 H new ATOM 0 HG11 VAL A 463 8.238 7.204 -0.939 1.00 10.00 H new ATOM 0 HG12 VAL A 463 7.729 6.350 -2.415 1.00 10.00 H new ATOM 0 HG13 VAL A 463 6.589 6.547 -1.063 1.00 10.00 H new ATOM 0 HG21 VAL A 463 8.657 5.954 1.146 1.00 10.00 H new ATOM 0 HG22 VAL A 463 7.031 5.231 1.114 1.00 10.00 H new ATOM 0 HG23 VAL A 463 8.469 4.185 1.189 1.00 10.00 H new ATOM 861 N ALA A 464 8.536 3.799 -3.333 1.00 10.00 N ATOM 862 CA ALA A 464 8.717 3.775 -4.778 1.00 10.00 C ATOM 863 C ALA A 464 8.106 2.514 -5.380 1.00 10.00 C ATOM 864 O ALA A 464 7.877 2.437 -6.587 1.00 10.00 O ATOM 865 CB ALA A 464 10.195 3.868 -5.127 1.00 10.00 C ATOM 0 H ALA A 464 9.402 3.749 -2.797 1.00 10.00 H new ATOM 0 HA ALA A 464 8.203 4.638 -5.202 1.00 10.00 H new ATOM 0 HB1 ALA A 464 10.315 3.849 -6.210 1.00 10.00 H new ATOM 0 HB2 ALA A 464 10.604 4.798 -4.733 1.00 10.00 H new ATOM 0 HB3 ALA A 464 10.726 3.023 -4.688 1.00 10.00 H new ATOM 871 N GLU A 465 7.843 1.524 -4.529 1.00 10.00 N ATOM 872 CA GLU A 465 7.260 0.268 -4.974 1.00 10.00 C ATOM 873 C GLU A 465 5.736 0.296 -4.883 1.00 10.00 C ATOM 874 O GLU A 465 5.062 -0.577 -5.429 1.00 10.00 O ATOM 875 CB GLU A 465 7.808 -0.894 -4.142 1.00 10.00 C ATOM 876 CG GLU A 465 7.507 -2.261 -4.733 1.00 10.00 C ATOM 877 CD GLU A 465 8.354 -2.568 -5.953 1.00 10.00 C ATOM 878 OE1 GLU A 465 8.181 -1.884 -6.983 1.00 10.00 O ATOM 879 OE2 GLU A 465 9.190 -3.493 -5.876 1.00 10.00 O ATOM 0 H GLU A 465 8.026 1.571 -3.527 1.00 10.00 H new ATOM 0 HA GLU A 465 7.535 0.127 -6.019 1.00 10.00 H new ATOM 0 HB2 GLU A 465 8.887 -0.781 -4.042 1.00 10.00 H new ATOM 0 HB3 GLU A 465 7.387 -0.841 -3.138 1.00 10.00 H new ATOM 0 HG2 GLU A 465 7.677 -3.026 -3.975 1.00 10.00 H new ATOM 0 HG3 GLU A 465 6.453 -2.311 -5.005 1.00 10.00 H new ATOM 886 N CYS A 466 5.187 1.300 -4.196 1.00 10.00 N ATOM 887 CA CYS A 466 3.743 1.411 -4.057 1.00 10.00 C ATOM 888 C CYS A 466 3.145 2.188 -5.223 1.00 10.00 C ATOM 889 O CYS A 466 1.962 2.047 -5.531 1.00 10.00 O ATOM 890 CB CYS A 466 3.386 2.074 -2.726 1.00 10.00 C ATOM 891 SG CYS A 466 1.688 1.770 -2.184 1.00 10.00 S ATOM 0 H CYS A 466 5.718 2.038 -3.734 1.00 10.00 H new ATOM 0 HA CYS A 466 3.319 0.407 -4.068 1.00 10.00 H new ATOM 0 HB2 CYS A 466 4.071 1.715 -1.958 1.00 10.00 H new ATOM 0 HB3 CYS A 466 3.541 3.149 -2.814 1.00 10.00 H new ATOM 0 HG CYS A 466 1.305 0.598 -2.595 1.00 10.00 H new ATOM 897 N VAL A 467 3.975 2.987 -5.893 1.00 10.00 N ATOM 898 CA VAL A 467 3.521 3.755 -7.046 1.00 10.00 C ATOM 899 C VAL A 467 2.956 2.819 -8.110 1.00 10.00 C ATOM 900 O VAL A 467 2.192 3.233 -8.980 1.00 10.00 O ATOM 901 CB VAL A 467 4.669 4.585 -7.660 1.00 10.00 C ATOM 902 CG1 VAL A 467 4.182 5.369 -8.872 1.00 10.00 C ATOM 903 CG2 VAL A 467 5.269 5.517 -6.619 1.00 10.00 C ATOM 0 H VAL A 467 4.959 3.117 -5.657 1.00 10.00 H new ATOM 0 HA VAL A 467 2.745 4.438 -6.701 1.00 10.00 H new ATOM 0 HB VAL A 467 5.447 3.898 -7.994 1.00 10.00 H new ATOM 0 HG11 VAL A 467 5.008 5.946 -9.288 1.00 10.00 H new ATOM 0 HG12 VAL A 467 3.807 4.677 -9.626 1.00 10.00 H new ATOM 0 HG13 VAL A 467 3.382 6.045 -8.570 1.00 10.00 H new ATOM 0 HG21 VAL A 467 6.077 6.094 -7.070 1.00 10.00 H new ATOM 0 HG22 VAL A 467 4.499 6.196 -6.252 1.00 10.00 H new ATOM 0 HG23 VAL A 467 5.662 4.930 -5.789 1.00 10.00 H new ATOM 913 N LEU A 468 3.345 1.550 -8.032 1.00 10.00 N ATOM 914 CA LEU A 468 2.887 0.547 -8.981 1.00 10.00 C ATOM 915 C LEU A 468 1.387 0.292 -8.851 1.00 10.00 C ATOM 916 O LEU A 468 0.785 -0.347 -9.714 1.00 10.00 O ATOM 917 CB LEU A 468 3.659 -0.757 -8.772 1.00 10.00 C ATOM 918 CG LEU A 468 3.485 -1.798 -9.881 1.00 10.00 C ATOM 919 CD1 LEU A 468 4.821 -2.438 -10.228 1.00 10.00 C ATOM 920 CD2 LEU A 468 2.478 -2.859 -9.462 1.00 10.00 C ATOM 0 H LEU A 468 3.979 1.193 -7.317 1.00 10.00 H new ATOM 0 HA LEU A 468 3.074 0.926 -9.986 1.00 10.00 H new ATOM 0 HB2 LEU A 468 4.719 -0.523 -8.678 1.00 10.00 H new ATOM 0 HB3 LEU A 468 3.345 -1.200 -7.827 1.00 10.00 H new ATOM 0 HG LEU A 468 3.105 -1.294 -10.770 1.00 10.00 H new ATOM 0 HD11 LEU A 468 4.677 -3.175 -11.018 1.00 10.00 H new ATOM 0 HD12 LEU A 468 5.514 -1.670 -10.570 1.00 10.00 H new ATOM 0 HD13 LEU A 468 5.230 -2.928 -9.345 1.00 10.00 H new ATOM 0 HD21 LEU A 468 2.366 -3.591 -10.262 1.00 10.00 H new ATOM 0 HD22 LEU A 468 2.830 -3.359 -8.560 1.00 10.00 H new ATOM 0 HD23 LEU A 468 1.515 -2.389 -9.264 1.00 10.00 H new ATOM 932 N TYR A 469 0.786 0.784 -7.770 1.00 10.00 N ATOM 933 CA TYR A 469 -0.636 0.593 -7.543 1.00 10.00 C ATOM 934 C TYR A 469 -1.433 1.877 -7.788 1.00 10.00 C ATOM 935 O TYR A 469 -2.662 1.866 -7.733 1.00 10.00 O ATOM 936 CB TYR A 469 -0.883 0.071 -6.120 1.00 10.00 C ATOM 937 CG TYR A 469 -1.407 1.078 -5.121 1.00 10.00 C ATOM 938 CD1 TYR A 469 -0.915 2.372 -5.100 1.00 10.00 C ATOM 939 CD2 TYR A 469 -2.388 0.729 -4.194 1.00 10.00 C ATOM 940 CE1 TYR A 469 -1.378 3.300 -4.191 1.00 10.00 C ATOM 941 CE2 TYR A 469 -2.856 1.655 -3.282 1.00 10.00 C ATOM 942 CZ TYR A 469 -2.347 2.938 -3.286 1.00 10.00 C ATOM 943 OH TYR A 469 -2.804 3.860 -2.377 1.00 10.00 O ATOM 0 H TYR A 469 1.264 1.316 -7.042 1.00 10.00 H new ATOM 0 HA TYR A 469 -0.986 -0.149 -8.261 1.00 10.00 H new ATOM 0 HB2 TYR A 469 -1.591 -0.756 -6.176 1.00 10.00 H new ATOM 0 HB3 TYR A 469 0.053 -0.336 -5.737 1.00 10.00 H new ATOM 0 HD1 TYR A 469 -0.154 2.660 -5.810 1.00 10.00 H new ATOM 0 HD2 TYR A 469 -2.786 -0.275 -4.189 1.00 10.00 H new ATOM 0 HE1 TYR A 469 -0.982 4.305 -4.190 1.00 10.00 H new ATOM 0 HE2 TYR A 469 -3.617 1.376 -2.569 1.00 10.00 H new ATOM 0 HH TYR A 469 -2.742 4.759 -2.763 1.00 10.00 H new ATOM 953 N TYR A 470 -0.738 2.987 -8.026 1.00 10.00 N ATOM 954 CA TYR A 470 -1.408 4.263 -8.236 1.00 10.00 C ATOM 955 C TYR A 470 -1.593 4.579 -9.718 1.00 10.00 C ATOM 956 O TYR A 470 -2.544 5.266 -10.090 1.00 10.00 O ATOM 957 CB TYR A 470 -0.636 5.387 -7.522 1.00 10.00 C ATOM 958 CG TYR A 470 -0.043 6.436 -8.442 1.00 10.00 C ATOM 959 CD1 TYR A 470 0.924 6.098 -9.378 1.00 10.00 C ATOM 960 CD2 TYR A 470 -0.450 7.762 -8.369 1.00 10.00 C ATOM 961 CE1 TYR A 470 1.469 7.048 -10.217 1.00 10.00 C ATOM 962 CE2 TYR A 470 0.090 8.720 -9.206 1.00 10.00 C ATOM 963 CZ TYR A 470 1.049 8.358 -10.127 1.00 10.00 C ATOM 964 OH TYR A 470 1.591 9.309 -10.961 1.00 10.00 O ATOM 0 H TYR A 470 0.280 3.027 -8.078 1.00 10.00 H new ATOM 0 HA TYR A 470 -2.407 4.190 -7.805 1.00 10.00 H new ATOM 0 HB2 TYR A 470 -1.307 5.879 -6.818 1.00 10.00 H new ATOM 0 HB3 TYR A 470 0.168 4.941 -6.937 1.00 10.00 H new ATOM 0 HD1 TYR A 470 1.256 5.073 -9.451 1.00 10.00 H new ATOM 0 HD2 TYR A 470 -1.200 8.049 -7.647 1.00 10.00 H new ATOM 0 HE1 TYR A 470 2.220 6.767 -10.940 1.00 10.00 H new ATOM 0 HE2 TYR A 470 -0.238 9.747 -9.139 1.00 10.00 H new ATOM 0 HH TYR A 470 1.186 10.181 -10.770 1.00 10.00 H new ATOM 974 N TYR A 471 -0.687 4.097 -10.566 1.00 10.00 N ATOM 975 CA TYR A 471 -0.798 4.375 -11.994 1.00 10.00 C ATOM 976 C TYR A 471 -1.654 3.339 -12.717 1.00 10.00 C ATOM 977 O TYR A 471 -2.018 3.531 -13.877 1.00 10.00 O ATOM 978 CB TYR A 471 0.584 4.505 -12.651 1.00 10.00 C ATOM 979 CG TYR A 471 1.530 3.328 -12.470 1.00 10.00 C ATOM 980 CD1 TYR A 471 1.072 2.019 -12.328 1.00 10.00 C ATOM 981 CD2 TYR A 471 2.906 3.537 -12.474 1.00 10.00 C ATOM 982 CE1 TYR A 471 1.956 0.966 -12.191 1.00 10.00 C ATOM 983 CE2 TYR A 471 3.792 2.488 -12.344 1.00 10.00 C ATOM 984 CZ TYR A 471 3.314 1.205 -12.203 1.00 10.00 C ATOM 985 OH TYR A 471 4.195 0.156 -12.072 1.00 10.00 O ATOM 0 H TYR A 471 0.114 3.525 -10.297 1.00 10.00 H new ATOM 0 HA TYR A 471 -1.306 5.335 -12.088 1.00 10.00 H new ATOM 0 HB2 TYR A 471 0.441 4.668 -13.719 1.00 10.00 H new ATOM 0 HB3 TYR A 471 1.069 5.397 -12.255 1.00 10.00 H new ATOM 0 HD1 TYR A 471 0.010 1.825 -12.325 1.00 10.00 H new ATOM 0 HD2 TYR A 471 3.288 4.542 -12.581 1.00 10.00 H new ATOM 0 HE1 TYR A 471 1.584 -0.041 -12.075 1.00 10.00 H new ATOM 0 HE2 TYR A 471 4.856 2.672 -12.353 1.00 10.00 H new ATOM 0 HH TYR A 471 5.114 0.495 -12.102 1.00 10.00 H new