USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=14 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+ 144:sc= 0.983 (180deg=0) USER MOD Set 1.2: A 439 THR OG1 : rot -100:sc= -1.18 USER MOD Single : A 423 TYR OH : rot -55:sc= 0.00539 USER MOD Single : A 424 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 427 GLN : amide:sc= -3.64 K(o=-3.6,f=-5.7!) USER MOD Single : A 429 MET CE :methyl -129:sc= -0.272 (180deg=-1.14) USER MOD Single : A 430 ASN : amide:sc= -1.51 K(o=-1.5,f=-0.99) 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= -0.564 K(o=-0.56,f=0) USER MOD Single : A 437 LYS NZ :NH3+ 139:sc= 0.392 (180deg=-0.97!) USER MOD Single : A 443 LYS NZ :NH3+ -128:sc= 1.33 (180deg=-0.428) USER MOD Single : A 445 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 446 GLN : amide:sc= -0.259 X(o=-0.26,f=-0.093) USER MOD Single : A 447 HIS : no HD1:sc= -14.1! C(o=-14!,f=-12!) USER MOD Single : A 449 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 450 ASN : amide:sc= -6.69 K(o=-6.7,f=-11!) USER MOD Single : A 456 SER OG : rot 180:sc= 0 USER MOD Single : A 461 LYS NZ :NH3+ -159:sc= -0.816 (180deg=-2.4!) USER MOD Single : A 462 THR OG1 : rot 180:sc= -2.4 USER MOD Single : A 466 CYS SG : rot 74:sc= -0.52 USER MOD Single : A 469 TYR OH : rot 30:sc= -2.84! 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 -1.900 -4.740 7.941 1.00 10.00 N ATOM 112 CA LYS A 421 -2.075 -4.776 6.493 1.00 10.00 C ATOM 113 C LYS A 421 -0.734 -4.948 5.811 1.00 10.00 C ATOM 114 O LYS A 421 0.002 -3.987 5.589 1.00 10.00 O ATOM 115 CB LYS A 421 -2.766 -3.523 5.980 1.00 10.00 C ATOM 116 CG LYS A 421 -2.921 -3.516 4.468 1.00 10.00 C ATOM 117 CD LYS A 421 -3.913 -4.560 3.991 1.00 10.00 C ATOM 118 CE LYS A 421 -5.238 -4.474 4.737 1.00 10.00 C ATOM 119 NZ LYS A 421 -6.401 -4.643 3.823 1.00 10.00 N ATOM 0 HA LYS A 421 -2.713 -5.627 6.256 1.00 10.00 H new ATOM 0 HB2 LYS A 421 -3.750 -3.440 6.442 1.00 10.00 H new ATOM 0 HB3 LYS A 421 -2.195 -2.647 6.287 1.00 10.00 H new ATOM 0 HG2 LYS A 421 -3.249 -2.529 4.142 1.00 10.00 H new ATOM 0 HG3 LYS A 421 -1.952 -3.699 4.004 1.00 10.00 H new ATOM 0 HD2 LYS A 421 -4.090 -4.431 2.923 1.00 10.00 H new ATOM 0 HD3 LYS A 421 -3.486 -5.554 4.125 1.00 10.00 H new ATOM 0 HE2 LYS A 421 -5.270 -5.241 5.511 1.00 10.00 H new ATOM 0 HE3 LYS A 421 -5.309 -3.510 5.241 1.00 10.00 H new ATOM 0 HZ1 LYS A 421 -7.154 -5.167 4.313 1.00 10.00 H new ATOM 0 HZ2 LYS A 421 -6.758 -3.708 3.539 1.00 10.00 H new ATOM 0 HZ3 LYS A 421 -6.104 -5.172 2.978 1.00 10.00 H new ATOM 133 N VAL A 422 -0.420 -6.194 5.516 1.00 10.00 N ATOM 134 CA VAL A 422 0.835 -6.548 4.898 1.00 10.00 C ATOM 135 C VAL A 422 0.875 -8.051 4.674 1.00 10.00 C ATOM 136 O VAL A 422 1.237 -8.536 3.601 1.00 10.00 O ATOM 137 CB VAL A 422 1.997 -6.091 5.797 1.00 10.00 C ATOM 138 CG1 VAL A 422 2.294 -7.103 6.898 1.00 10.00 C ATOM 139 CG2 VAL A 422 3.236 -5.803 4.971 1.00 10.00 C ATOM 0 H VAL A 422 -1.032 -6.989 5.700 1.00 10.00 H new ATOM 0 HA VAL A 422 0.933 -6.050 3.933 1.00 10.00 H new ATOM 0 HB VAL A 422 1.689 -5.166 6.285 1.00 10.00 H new ATOM 0 HG11 VAL A 422 3.121 -6.743 7.510 1.00 10.00 H new ATOM 0 HG12 VAL A 422 1.410 -7.232 7.522 1.00 10.00 H new ATOM 0 HG13 VAL A 422 2.564 -8.059 6.450 1.00 10.00 H new ATOM 0 HG21 VAL A 422 4.044 -5.482 5.628 1.00 10.00 H new ATOM 0 HG22 VAL A 422 3.537 -6.706 4.440 1.00 10.00 H new ATOM 0 HG23 VAL A 422 3.018 -5.014 4.251 1.00 10.00 H new ATOM 149 N TYR A 423 0.451 -8.768 5.704 1.00 10.00 N ATOM 150 CA TYR A 423 0.367 -10.222 5.676 1.00 10.00 C ATOM 151 C TYR A 423 -0.357 -10.701 4.416 1.00 10.00 C ATOM 152 O TYR A 423 -0.173 -11.836 3.979 1.00 10.00 O ATOM 153 CB TYR A 423 -0.361 -10.738 6.937 1.00 10.00 C ATOM 154 CG TYR A 423 -1.327 -9.748 7.574 1.00 10.00 C ATOM 155 CD1 TYR A 423 -1.946 -8.753 6.826 1.00 10.00 C ATOM 156 CD2 TYR A 423 -1.607 -9.806 8.933 1.00 10.00 C ATOM 157 CE1 TYR A 423 -2.800 -7.850 7.404 1.00 10.00 C ATOM 158 CE2 TYR A 423 -2.470 -8.902 9.522 1.00 10.00 C ATOM 159 CZ TYR A 423 -3.062 -7.923 8.754 1.00 10.00 C ATOM 160 OH TYR A 423 -3.924 -7.023 9.335 1.00 10.00 O ATOM 0 H TYR A 423 0.154 -8.356 6.588 1.00 10.00 H new ATOM 0 HA TYR A 423 1.380 -10.623 5.662 1.00 10.00 H new ATOM 0 HB2 TYR A 423 -0.911 -11.642 6.676 1.00 10.00 H new ATOM 0 HB3 TYR A 423 0.386 -11.022 7.678 1.00 10.00 H new ATOM 0 HD1 TYR A 423 -1.750 -8.690 5.766 1.00 10.00 H new ATOM 0 HD2 TYR A 423 -1.143 -10.570 9.539 1.00 10.00 H new ATOM 0 HE1 TYR A 423 -3.266 -7.084 6.802 1.00 10.00 H new ATOM 0 HE2 TYR A 423 -2.680 -8.962 10.580 1.00 10.00 H new ATOM 0 HH TYR A 423 -3.622 -6.111 9.144 1.00 10.00 H new ATOM 170 N LYS A 424 -1.168 -9.821 3.827 1.00 10.00 N ATOM 171 CA LYS A 424 -1.899 -10.149 2.611 1.00 10.00 C ATOM 172 C LYS A 424 -1.308 -9.395 1.423 1.00 10.00 C ATOM 173 O LYS A 424 -1.459 -9.807 0.274 1.00 10.00 O ATOM 174 CB LYS A 424 -3.380 -9.802 2.768 1.00 10.00 C ATOM 175 CG LYS A 424 -4.020 -10.411 4.005 1.00 10.00 C ATOM 176 CD LYS A 424 -5.452 -9.937 4.183 1.00 10.00 C ATOM 177 CE LYS A 424 -5.887 -10.011 5.638 1.00 10.00 C ATOM 178 NZ LYS A 424 -7.158 -9.272 5.877 1.00 10.00 N ATOM 0 H LYS A 424 -1.333 -8.877 4.175 1.00 10.00 H new ATOM 0 HA LYS A 424 -1.809 -11.220 2.431 1.00 10.00 H new ATOM 0 HB2 LYS A 424 -3.488 -8.718 2.809 1.00 10.00 H new ATOM 0 HB3 LYS A 424 -3.920 -10.143 1.885 1.00 10.00 H new ATOM 0 HG2 LYS A 424 -4.003 -11.498 3.927 1.00 10.00 H new ATOM 0 HG3 LYS A 424 -3.436 -10.145 4.886 1.00 10.00 H new ATOM 0 HD2 LYS A 424 -5.544 -8.911 3.827 1.00 10.00 H new ATOM 0 HD3 LYS A 424 -6.117 -10.547 3.572 1.00 10.00 H new ATOM 0 HE2 LYS A 424 -6.014 -11.055 5.926 1.00 10.00 H new ATOM 0 HE3 LYS A 424 -5.103 -9.599 6.273 1.00 10.00 H new ATOM 0 HZ1 LYS A 424 -7.420 -9.347 6.881 1.00 10.00 H new ATOM 0 HZ2 LYS A 424 -7.030 -8.271 5.627 1.00 10.00 H new ATOM 0 HZ3 LYS A 424 -7.913 -9.681 5.291 1.00 10.00 H new ATOM 192 N ASP A 425 -0.626 -8.290 1.715 1.00 10.00 N ATOM 193 CA ASP A 425 -0.002 -7.477 0.679 1.00 10.00 C ATOM 194 C ASP A 425 1.031 -8.284 -0.100 1.00 10.00 C ATOM 195 O ASP A 425 1.390 -7.931 -1.222 1.00 10.00 O ATOM 196 CB ASP A 425 0.657 -6.244 1.299 1.00 10.00 C ATOM 197 CG ASP A 425 -0.345 -5.341 1.989 1.00 10.00 C ATOM 198 OD1 ASP A 425 -1.201 -5.863 2.733 1.00 10.00 O ATOM 199 OD2 ASP A 425 -0.271 -4.111 1.789 1.00 10.00 O ATOM 0 H ASP A 425 -0.492 -7.938 2.663 1.00 10.00 H new ATOM 0 HA ASP A 425 -0.780 -7.156 -0.014 1.00 10.00 H new ATOM 0 HB2 ASP A 425 1.412 -6.562 2.018 1.00 10.00 H new ATOM 0 HB3 ASP A 425 1.174 -5.682 0.521 1.00 10.00 H new ATOM 204 N ARG A 426 1.508 -9.372 0.498 1.00 10.00 N ATOM 205 CA ARG A 426 2.497 -10.224 -0.154 1.00 10.00 C ATOM 206 C ARG A 426 2.024 -10.616 -1.549 1.00 10.00 C ATOM 207 O ARG A 426 2.823 -10.745 -2.476 1.00 10.00 O ATOM 208 CB ARG A 426 2.765 -11.470 0.693 1.00 10.00 C ATOM 209 CG ARG A 426 4.210 -11.936 0.650 1.00 10.00 C ATOM 210 CD ARG A 426 4.312 -13.448 0.762 1.00 10.00 C ATOM 211 NE ARG A 426 5.438 -13.981 -0.002 1.00 10.00 N ATOM 212 CZ ARG A 426 5.847 -15.245 0.063 1.00 10.00 C ATOM 213 NH1 ARG A 426 5.226 -16.111 0.855 1.00 10.00 N ATOM 214 NH2 ARG A 426 6.879 -15.647 -0.666 1.00 10.00 N ATOM 0 H ARG A 426 1.227 -9.683 1.428 1.00 10.00 H new ATOM 0 HA ARG A 426 3.428 -9.666 -0.252 1.00 10.00 H new ATOM 0 HB2 ARG A 426 2.490 -11.262 1.727 1.00 10.00 H new ATOM 0 HB3 ARG A 426 2.121 -12.279 0.348 1.00 10.00 H new ATOM 0 HG2 ARG A 426 4.672 -11.607 -0.281 1.00 10.00 H new ATOM 0 HG3 ARG A 426 4.767 -11.472 1.463 1.00 10.00 H new ATOM 0 HD2 ARG A 426 4.421 -13.727 1.810 1.00 10.00 H new ATOM 0 HD3 ARG A 426 3.386 -13.901 0.406 1.00 10.00 H new ATOM 0 HE ARG A 426 5.940 -13.346 -0.622 1.00 10.00 H new ATOM 0 HH11 ARG A 426 4.431 -15.808 1.418 1.00 10.00 H new ATOM 0 HH12 ARG A 426 5.544 -17.079 0.901 1.00 10.00 H new ATOM 0 HH21 ARG A 426 7.360 -14.987 -1.277 1.00 10.00 H new ATOM 0 HH22 ARG A 426 7.192 -16.616 -0.616 1.00 10.00 H new ATOM 228 N GLN A 427 0.713 -10.773 -1.695 1.00 10.00 N ATOM 229 CA GLN A 427 0.122 -11.116 -2.983 1.00 10.00 C ATOM 230 C GLN A 427 -0.546 -9.886 -3.581 1.00 10.00 C ATOM 231 O GLN A 427 -1.521 -9.984 -4.326 1.00 10.00 O ATOM 232 CB GLN A 427 -0.892 -12.255 -2.834 1.00 10.00 C ATOM 233 CG GLN A 427 -0.507 -13.285 -1.782 1.00 10.00 C ATOM 234 CD GLN A 427 -0.872 -12.848 -0.376 1.00 10.00 C ATOM 235 OE1 GLN A 427 -1.903 -12.211 -0.159 1.00 10.00 O ATOM 236 NE2 GLN A 427 -0.026 -13.189 0.590 1.00 10.00 N ATOM 0 H GLN A 427 0.039 -10.668 -0.937 1.00 10.00 H new ATOM 0 HA GLN A 427 0.913 -11.457 -3.651 1.00 10.00 H new ATOM 0 HB2 GLN A 427 -1.864 -11.833 -2.578 1.00 10.00 H new ATOM 0 HB3 GLN A 427 -1.006 -12.756 -3.795 1.00 10.00 H new ATOM 0 HG2 GLN A 427 -1.003 -14.230 -2.005 1.00 10.00 H new ATOM 0 HG3 GLN A 427 0.566 -13.469 -1.834 1.00 10.00 H new ATOM 0 HE21 GLN A 427 0.817 -13.717 0.366 1.00 10.00 H new ATOM 0 HE22 GLN A 427 -0.220 -12.922 1.555 1.00 10.00 H new ATOM 245 N VAL A 428 0.006 -8.730 -3.241 1.00 10.00 N ATOM 246 CA VAL A 428 -0.496 -7.453 -3.724 1.00 10.00 C ATOM 247 C VAL A 428 0.562 -6.750 -4.552 1.00 10.00 C ATOM 248 O VAL A 428 0.245 -6.050 -5.513 1.00 10.00 O ATOM 249 CB VAL A 428 -0.924 -6.543 -2.564 1.00 10.00 C ATOM 250 CG1 VAL A 428 -1.048 -5.098 -3.020 1.00 10.00 C ATOM 251 CG2 VAL A 428 -2.231 -7.032 -1.966 1.00 10.00 C ATOM 0 H VAL A 428 0.814 -8.652 -2.623 1.00 10.00 H new ATOM 0 HA VAL A 428 -1.370 -7.657 -4.343 1.00 10.00 H new ATOM 0 HB VAL A 428 -0.153 -6.584 -1.795 1.00 10.00 H new ATOM 0 HG11 VAL A 428 -1.352 -4.476 -2.178 1.00 10.00 H new ATOM 0 HG12 VAL A 428 -0.086 -4.752 -3.398 1.00 10.00 H new ATOM 0 HG13 VAL A 428 -1.795 -5.029 -3.811 1.00 10.00 H new ATOM 0 HG21 VAL A 428 -2.523 -6.378 -1.145 1.00 10.00 H new ATOM 0 HG22 VAL A 428 -3.007 -7.022 -2.731 1.00 10.00 H new ATOM 0 HG23 VAL A 428 -2.103 -8.048 -1.592 1.00 10.00 H new ATOM 261 N MET A 429 1.825 -6.953 -4.190 1.00 10.00 N ATOM 262 CA MET A 429 2.929 -6.348 -4.930 1.00 10.00 C ATOM 263 C MET A 429 2.713 -6.525 -6.434 1.00 10.00 C ATOM 264 O MET A 429 3.188 -5.729 -7.243 1.00 10.00 O ATOM 265 CB MET A 429 4.260 -6.975 -4.513 1.00 10.00 C ATOM 266 CG MET A 429 5.443 -6.029 -4.634 1.00 10.00 C ATOM 267 SD MET A 429 6.248 -6.125 -6.245 1.00 10.00 S ATOM 268 CE MET A 429 6.834 -7.818 -6.231 1.00 10.00 C ATOM 0 H MET A 429 2.109 -7.527 -3.396 1.00 10.00 H new ATOM 0 HA MET A 429 2.959 -5.283 -4.699 1.00 10.00 H new ATOM 0 HB2 MET A 429 4.183 -7.317 -3.481 1.00 10.00 H new ATOM 0 HB3 MET A 429 4.446 -7.856 -5.128 1.00 10.00 H new ATOM 0 HG2 MET A 429 5.105 -5.007 -4.461 1.00 10.00 H new ATOM 0 HG3 MET A 429 6.169 -6.260 -3.855 1.00 10.00 H new ATOM 0 HE1 MET A 429 7.893 -7.839 -6.488 1.00 10.00 H new ATOM 0 HE2 MET A 429 6.694 -8.243 -5.237 1.00 10.00 H new ATOM 0 HE3 MET A 429 6.272 -8.403 -6.959 1.00 10.00 H new ATOM 278 N ASN A 430 1.976 -7.580 -6.791 1.00 10.00 N ATOM 279 CA ASN A 430 1.670 -7.878 -8.183 1.00 10.00 C ATOM 280 C ASN A 430 0.162 -8.041 -8.383 1.00 10.00 C ATOM 281 O ASN A 430 -0.280 -8.725 -9.306 1.00 10.00 O ATOM 282 CB ASN A 430 2.395 -9.156 -8.608 1.00 10.00 C ATOM 283 CG ASN A 430 2.216 -9.463 -10.082 1.00 10.00 C ATOM 284 OD1 ASN A 430 2.837 -8.835 -10.939 1.00 10.00 O ATOM 285 ND2 ASN A 430 1.362 -10.435 -10.384 1.00 10.00 N ATOM 0 H ASN A 430 1.580 -8.244 -6.126 1.00 10.00 H new ATOM 0 HA ASN A 430 2.010 -7.046 -8.800 1.00 10.00 H new ATOM 0 HB2 ASN A 430 3.458 -9.057 -8.387 1.00 10.00 H new ATOM 0 HB3 ASN A 430 2.023 -9.994 -8.018 1.00 10.00 H new ATOM 0 HD21 ASN A 430 1.200 -10.687 -11.359 1.00 10.00 H new ATOM 0 HD22 ASN A 430 0.869 -10.929 -9.641 1.00 10.00 H new ATOM 292 N MET A 431 -0.621 -7.405 -7.511 1.00 10.00 N ATOM 293 CA MET A 431 -2.081 -7.474 -7.586 1.00 10.00 C ATOM 294 C MET A 431 -2.728 -6.904 -6.328 1.00 10.00 C ATOM 295 O MET A 431 -3.133 -7.649 -5.434 1.00 10.00 O ATOM 296 CB MET A 431 -2.551 -8.912 -7.774 1.00 10.00 C ATOM 297 CG MET A 431 -2.956 -9.244 -9.201 1.00 10.00 C ATOM 298 SD MET A 431 -4.739 -9.149 -9.458 1.00 10.00 S ATOM 299 CE MET A 431 -5.028 -10.653 -10.387 1.00 10.00 C ATOM 0 H MET A 431 -0.268 -6.835 -6.743 1.00 10.00 H new ATOM 0 HA MET A 431 -2.384 -6.877 -8.446 1.00 10.00 H new ATOM 0 HB2 MET A 431 -1.753 -9.588 -7.466 1.00 10.00 H new ATOM 0 HB3 MET A 431 -3.398 -9.097 -7.114 1.00 10.00 H new ATOM 0 HG2 MET A 431 -2.457 -8.557 -9.885 1.00 10.00 H new ATOM 0 HG3 MET A 431 -2.610 -10.248 -9.448 1.00 10.00 H new ATOM 0 HE1 MET A 431 -6.089 -10.737 -10.622 1.00 10.00 H new ATOM 0 HE2 MET A 431 -4.452 -10.625 -11.312 1.00 10.00 H new ATOM 0 HE3 MET A 431 -4.719 -11.513 -9.793 1.00 10.00 H new ATOM 309 N TRP A 432 -2.851 -5.590 -6.278 1.00 10.00 N ATOM 310 CA TRP A 432 -3.478 -4.927 -5.144 1.00 10.00 C ATOM 311 C TRP A 432 -4.983 -5.086 -5.246 1.00 10.00 C ATOM 312 O TRP A 432 -5.642 -4.439 -6.061 1.00 10.00 O ATOM 313 CB TRP A 432 -3.086 -3.448 -5.092 1.00 10.00 C ATOM 314 CG TRP A 432 -1.658 -3.168 -5.487 1.00 10.00 C ATOM 315 CD1 TRP A 432 -1.094 -3.362 -6.713 1.00 10.00 C ATOM 316 CD2 TRP A 432 -0.615 -2.637 -4.655 1.00 10.00 C ATOM 317 NE1 TRP A 432 0.213 -2.951 -6.703 1.00 10.00 N ATOM 318 CE2 TRP A 432 0.533 -2.512 -5.454 1.00 10.00 C ATOM 319 CE3 TRP A 432 -0.544 -2.247 -3.321 1.00 10.00 C ATOM 320 CZ2 TRP A 432 1.733 -2.007 -4.964 1.00 10.00 C ATOM 321 CZ3 TRP A 432 0.649 -1.754 -2.828 1.00 10.00 C ATOM 322 CH2 TRP A 432 1.773 -1.634 -3.649 1.00 10.00 C ATOM 0 H TRP A 432 -2.525 -4.958 -7.009 1.00 10.00 H new ATOM 0 HA TRP A 432 -3.131 -5.389 -4.220 1.00 10.00 H new ATOM 0 HB2 TRP A 432 -3.749 -2.886 -5.749 1.00 10.00 H new ATOM 0 HB3 TRP A 432 -3.250 -3.077 -4.080 1.00 10.00 H new ATOM 0 HD1 TRP A 432 -1.604 -3.779 -7.569 1.00 10.00 H new ATOM 0 HE1 TRP A 432 0.845 -2.971 -7.503 1.00 10.00 H new ATOM 0 HE3 TRP A 432 -1.409 -2.329 -2.680 1.00 10.00 H new ATOM 0 HZ2 TRP A 432 2.601 -1.913 -5.599 1.00 10.00 H new ATOM 0 HZ3 TRP A 432 0.714 -1.457 -1.792 1.00 10.00 H new ATOM 0 HH2 TRP A 432 2.690 -1.239 -3.238 1.00 10.00 H new ATOM 333 N SER A 433 -5.508 -5.980 -4.425 1.00 10.00 N ATOM 334 CA SER A 433 -6.936 -6.278 -4.420 1.00 10.00 C ATOM 335 C SER A 433 -7.758 -5.057 -4.037 1.00 10.00 C ATOM 336 O SER A 433 -7.318 -4.223 -3.248 1.00 10.00 O ATOM 337 CB SER A 433 -7.232 -7.426 -3.455 1.00 10.00 C ATOM 338 OG SER A 433 -8.524 -7.964 -3.682 1.00 10.00 O ATOM 0 H SER A 433 -4.965 -6.517 -3.748 1.00 10.00 H new ATOM 0 HA SER A 433 -7.217 -6.572 -5.431 1.00 10.00 H new ATOM 0 HB2 SER A 433 -6.483 -8.208 -3.575 1.00 10.00 H new ATOM 0 HB3 SER A 433 -7.159 -7.070 -2.428 1.00 10.00 H new ATOM 0 HG SER A 433 -8.688 -8.698 -3.053 1.00 10.00 H new ATOM 344 N GLU A 434 -8.966 -4.965 -4.588 1.00 10.00 N ATOM 345 CA GLU A 434 -9.858 -3.851 -4.286 1.00 10.00 C ATOM 346 C GLU A 434 -9.956 -3.653 -2.778 1.00 10.00 C ATOM 347 O GLU A 434 -10.174 -2.541 -2.296 1.00 10.00 O ATOM 348 CB GLU A 434 -11.247 -4.103 -4.875 1.00 10.00 C ATOM 349 CG GLU A 434 -11.888 -5.392 -4.389 1.00 10.00 C ATOM 350 CD GLU A 434 -13.272 -5.610 -4.969 1.00 10.00 C ATOM 351 OE1 GLU A 434 -13.363 -6.061 -6.131 1.00 10.00 O ATOM 352 OE2 GLU A 434 -14.263 -5.332 -4.263 1.00 10.00 O ATOM 0 H GLU A 434 -9.348 -5.647 -5.244 1.00 10.00 H new ATOM 0 HA GLU A 434 -9.449 -2.946 -4.736 1.00 10.00 H new ATOM 0 HB2 GLU A 434 -11.897 -3.266 -4.622 1.00 10.00 H new ATOM 0 HB3 GLU A 434 -11.172 -4.131 -5.962 1.00 10.00 H new ATOM 0 HG2 GLU A 434 -11.249 -6.234 -4.656 1.00 10.00 H new ATOM 0 HG3 GLU A 434 -11.953 -5.373 -3.301 1.00 10.00 H new ATOM 359 N GLN A 435 -9.778 -4.745 -2.039 1.00 10.00 N ATOM 360 CA GLN A 435 -9.829 -4.706 -0.586 1.00 10.00 C ATOM 361 C GLN A 435 -8.454 -4.382 -0.015 1.00 10.00 C ATOM 362 O GLN A 435 -8.343 -3.755 1.037 1.00 10.00 O ATOM 363 CB GLN A 435 -10.320 -6.045 -0.036 1.00 10.00 C ATOM 364 CG GLN A 435 -11.091 -5.921 1.268 1.00 10.00 C ATOM 365 CD GLN A 435 -12.591 -5.868 1.055 1.00 10.00 C ATOM 366 OE1 GLN A 435 -13.357 -6.475 1.801 1.00 10.00 O ATOM 367 NE2 GLN A 435 -13.018 -5.136 0.031 1.00 10.00 N ATOM 0 H GLN A 435 -9.597 -5.670 -2.428 1.00 10.00 H new ATOM 0 HA GLN A 435 -10.527 -3.924 -0.286 1.00 10.00 H new ATOM 0 HB2 GLN A 435 -10.957 -6.523 -0.781 1.00 10.00 H new ATOM 0 HB3 GLN A 435 -9.463 -6.701 0.119 1.00 10.00 H new ATOM 0 HG2 GLN A 435 -10.849 -6.767 1.911 1.00 10.00 H new ATOM 0 HG3 GLN A 435 -10.770 -5.020 1.792 1.00 10.00 H new ATOM 0 HE21 GLN A 435 -12.347 -4.649 -0.563 1.00 10.00 H new ATOM 0 HE22 GLN A 435 -14.017 -5.061 -0.161 1.00 10.00 H new ATOM 376 N GLU A 436 -7.407 -4.800 -0.724 1.00 10.00 N ATOM 377 CA GLU A 436 -6.053 -4.541 -0.294 1.00 10.00 C ATOM 378 C GLU A 436 -5.709 -3.090 -0.578 1.00 10.00 C ATOM 379 O GLU A 436 -5.362 -2.335 0.331 1.00 10.00 O ATOM 380 CB GLU A 436 -5.115 -5.515 -1.006 1.00 10.00 C ATOM 381 CG GLU A 436 -4.773 -6.736 -0.166 1.00 10.00 C ATOM 382 CD GLU A 436 -3.876 -6.406 1.011 1.00 10.00 C ATOM 383 OE1 GLU A 436 -2.716 -6.003 0.781 1.00 10.00 O ATOM 384 OE2 GLU A 436 -4.333 -6.552 2.164 1.00 10.00 O ATOM 0 H GLU A 436 -7.481 -5.319 -1.599 1.00 10.00 H new ATOM 0 HA GLU A 436 -5.943 -4.698 0.779 1.00 10.00 H new ATOM 0 HB2 GLU A 436 -5.578 -5.840 -1.938 1.00 10.00 H new ATOM 0 HB3 GLU A 436 -4.195 -4.995 -1.272 1.00 10.00 H new ATOM 0 HG2 GLU A 436 -5.694 -7.189 0.201 1.00 10.00 H new ATOM 0 HG3 GLU A 436 -4.281 -7.478 -0.795 1.00 10.00 H new ATOM 391 N LYS A 437 -5.862 -2.687 -1.831 1.00 10.00 N ATOM 392 CA LYS A 437 -5.626 -1.300 -2.219 1.00 10.00 C ATOM 393 C LYS A 437 -6.486 -0.385 -1.361 1.00 10.00 C ATOM 394 O LYS A 437 -6.200 0.798 -1.215 1.00 10.00 O ATOM 395 CB LYS A 437 -5.958 -1.103 -3.698 1.00 10.00 C ATOM 396 CG LYS A 437 -5.139 -0.010 -4.361 1.00 10.00 C ATOM 397 CD LYS A 437 -6.027 1.019 -5.036 1.00 10.00 C ATOM 398 CE LYS A 437 -5.236 1.910 -5.978 1.00 10.00 C ATOM 399 NZ LYS A 437 -4.275 2.783 -5.247 1.00 10.00 N ATOM 0 H LYS A 437 -6.148 -3.298 -2.596 1.00 10.00 H new ATOM 0 HA LYS A 437 -4.575 -1.055 -2.066 1.00 10.00 H new ATOM 0 HB2 LYS A 437 -5.793 -2.041 -4.227 1.00 10.00 H new ATOM 0 HB3 LYS A 437 -7.017 -0.863 -3.796 1.00 10.00 H new ATOM 0 HG2 LYS A 437 -4.514 0.481 -3.615 1.00 10.00 H new ATOM 0 HG3 LYS A 437 -4.468 -0.453 -5.098 1.00 10.00 H new ATOM 0 HD2 LYS A 437 -6.816 0.511 -5.591 1.00 10.00 H new ATOM 0 HD3 LYS A 437 -6.515 1.632 -4.278 1.00 10.00 H new ATOM 0 HE2 LYS A 437 -4.692 1.291 -6.692 1.00 10.00 H new ATOM 0 HE3 LYS A 437 -5.924 2.530 -6.553 1.00 10.00 H new ATOM 0 HZ1 LYS A 437 -3.377 2.824 -5.770 1.00 10.00 H new ATOM 0 HZ2 LYS A 437 -4.671 3.741 -5.163 1.00 10.00 H new ATOM 0 HZ3 LYS A 437 -4.106 2.394 -4.298 1.00 10.00 H new ATOM 413 N GLU A 438 -7.534 -0.956 -0.782 1.00 10.00 N ATOM 414 CA GLU A 438 -8.438 -0.208 0.073 1.00 10.00 C ATOM 415 C GLU A 438 -7.714 0.333 1.298 1.00 10.00 C ATOM 416 O GLU A 438 -8.116 1.347 1.864 1.00 10.00 O ATOM 417 CB GLU A 438 -9.596 -1.098 0.513 1.00 10.00 C ATOM 418 CG GLU A 438 -10.922 -0.362 0.627 1.00 10.00 C ATOM 419 CD GLU A 438 -12.029 -1.239 1.181 1.00 10.00 C ATOM 420 OE1 GLU A 438 -11.898 -1.705 2.331 1.00 10.00 O ATOM 421 OE2 GLU A 438 -13.027 -1.459 0.462 1.00 10.00 O ATOM 0 H GLU A 438 -7.777 -1.940 -0.892 1.00 10.00 H new ATOM 0 HA GLU A 438 -8.823 0.636 -0.499 1.00 10.00 H new ATOM 0 HB2 GLU A 438 -9.705 -1.916 -0.199 1.00 10.00 H new ATOM 0 HB3 GLU A 438 -9.354 -1.544 1.478 1.00 10.00 H new ATOM 0 HG2 GLU A 438 -10.796 0.508 1.271 1.00 10.00 H new ATOM 0 HG3 GLU A 438 -11.214 0.008 -0.356 1.00 10.00 H new ATOM 428 N THR A 439 -6.655 -0.352 1.718 1.00 10.00 N ATOM 429 CA THR A 439 -5.908 0.079 2.893 1.00 10.00 C ATOM 430 C THR A 439 -4.801 1.067 2.528 1.00 10.00 C ATOM 431 O THR A 439 -4.696 2.136 3.128 1.00 10.00 O ATOM 432 CB THR A 439 -5.327 -1.130 3.625 1.00 10.00 C ATOM 433 OG1 THR A 439 -6.348 -2.063 3.929 1.00 10.00 O ATOM 434 CG2 THR A 439 -4.639 -0.764 4.923 1.00 10.00 C ATOM 0 H THR A 439 -6.299 -1.196 1.269 1.00 10.00 H new ATOM 0 HA THR A 439 -6.602 0.595 3.556 1.00 10.00 H new ATOM 0 HB THR A 439 -4.588 -1.557 2.947 1.00 10.00 H new ATOM 0 HG1 THR A 439 -6.616 -1.961 4.866 1.00 10.00 H new ATOM 0 HG21 THR A 439 -4.248 -1.666 5.394 1.00 10.00 H new ATOM 0 HG22 THR A 439 -3.818 -0.076 4.719 1.00 10.00 H new ATOM 0 HG23 THR A 439 -5.355 -0.286 5.592 1.00 10.00 H new ATOM 442 N PHE A 440 -3.980 0.714 1.544 1.00 10.00 N ATOM 443 CA PHE A 440 -2.894 1.581 1.115 1.00 10.00 C ATOM 444 C PHE A 440 -3.441 2.794 0.369 1.00 10.00 C ATOM 445 O PHE A 440 -2.875 3.883 0.437 1.00 10.00 O ATOM 446 CB PHE A 440 -1.914 0.812 0.223 1.00 10.00 C ATOM 447 CG PHE A 440 -2.252 -0.630 0.039 1.00 10.00 C ATOM 448 CD1 PHE A 440 -2.177 -1.536 1.083 1.00 10.00 C ATOM 449 CD2 PHE A 440 -2.662 -1.069 -1.191 1.00 10.00 C ATOM 450 CE1 PHE A 440 -2.511 -2.854 0.881 1.00 10.00 C ATOM 451 CE2 PHE A 440 -2.994 -2.379 -1.396 1.00 10.00 C ATOM 452 CZ PHE A 440 -2.919 -3.267 -0.367 1.00 10.00 C ATOM 0 H PHE A 440 -4.048 -0.165 1.031 1.00 10.00 H new ATOM 0 HA PHE A 440 -2.362 1.927 2.001 1.00 10.00 H new ATOM 0 HB2 PHE A 440 -1.878 1.292 -0.755 1.00 10.00 H new ATOM 0 HB3 PHE A 440 -0.915 0.887 0.652 1.00 10.00 H new ATOM 0 HD1 PHE A 440 -1.855 -1.206 2.060 1.00 10.00 H new ATOM 0 HD2 PHE A 440 -2.724 -0.370 -2.012 1.00 10.00 H new ATOM 0 HE1 PHE A 440 -2.454 -3.561 1.696 1.00 10.00 H new ATOM 0 HE2 PHE A 440 -3.315 -2.709 -2.373 1.00 10.00 H new ATOM 0 HZ PHE A 440 -3.181 -4.302 -0.531 1.00 10.00 H new ATOM 462 N ARG A 441 -4.550 2.599 -0.339 1.00 10.00 N ATOM 463 CA ARG A 441 -5.167 3.688 -1.089 1.00 10.00 C ATOM 464 C ARG A 441 -5.957 4.603 -0.158 1.00 10.00 C ATOM 465 O ARG A 441 -6.077 5.803 -0.410 1.00 10.00 O ATOM 466 CB ARG A 441 -6.085 3.149 -2.187 1.00 10.00 C ATOM 467 CG ARG A 441 -6.435 4.180 -3.247 1.00 10.00 C ATOM 468 CD ARG A 441 -7.717 4.920 -2.903 1.00 10.00 C ATOM 469 NE ARG A 441 -8.885 4.316 -3.538 1.00 10.00 N ATOM 470 CZ ARG A 441 -10.141 4.576 -3.181 1.00 10.00 C ATOM 471 NH1 ARG A 441 -10.394 5.426 -2.194 1.00 10.00 N ATOM 472 NH2 ARG A 441 -11.146 3.983 -3.812 1.00 10.00 N ATOM 0 H ARG A 441 -5.036 1.705 -0.409 1.00 10.00 H new ATOM 0 HA ARG A 441 -4.367 4.262 -1.556 1.00 10.00 H new ATOM 0 HB2 ARG A 441 -5.603 2.297 -2.666 1.00 10.00 H new ATOM 0 HB3 ARG A 441 -7.005 2.781 -1.732 1.00 10.00 H new ATOM 0 HG2 ARG A 441 -5.617 4.894 -3.346 1.00 10.00 H new ATOM 0 HG3 ARG A 441 -6.546 3.687 -4.213 1.00 10.00 H new ATOM 0 HD2 ARG A 441 -7.854 4.924 -1.822 1.00 10.00 H new ATOM 0 HD3 ARG A 441 -7.631 5.960 -3.218 1.00 10.00 H new ATOM 0 HE ARG A 441 -8.729 3.656 -4.300 1.00 10.00 H new ATOM 0 HH11 ARG A 441 -9.625 5.884 -1.705 1.00 10.00 H new ATOM 0 HH12 ARG A 441 -11.358 5.622 -1.924 1.00 10.00 H new ATOM 0 HH21 ARG A 441 -10.956 3.328 -4.571 1.00 10.00 H new ATOM 0 HH22 ARG A 441 -12.108 4.182 -3.539 1.00 10.00 H new ATOM 486 N GLU A 442 -6.495 4.033 0.919 1.00 10.00 N ATOM 487 CA GLU A 442 -7.271 4.809 1.881 1.00 10.00 C ATOM 488 C GLU A 442 -6.354 5.595 2.807 1.00 10.00 C ATOM 489 O GLU A 442 -6.640 6.742 3.151 1.00 10.00 O ATOM 490 CB GLU A 442 -8.184 3.896 2.703 1.00 10.00 C ATOM 491 CG GLU A 442 -9.002 4.634 3.750 1.00 10.00 C ATOM 492 CD GLU A 442 -8.355 4.604 5.122 1.00 10.00 C ATOM 493 OE1 GLU A 442 -7.131 4.366 5.196 1.00 10.00 O ATOM 494 OE2 GLU A 442 -9.072 4.818 6.121 1.00 10.00 O ATOM 0 H GLU A 442 -6.408 3.042 1.145 1.00 10.00 H new ATOM 0 HA GLU A 442 -7.889 5.512 1.322 1.00 10.00 H new ATOM 0 HB2 GLU A 442 -8.861 3.371 2.029 1.00 10.00 H new ATOM 0 HB3 GLU A 442 -7.576 3.138 3.197 1.00 10.00 H new ATOM 0 HG2 GLU A 442 -9.136 5.670 3.438 1.00 10.00 H new ATOM 0 HG3 GLU A 442 -9.995 4.189 3.811 1.00 10.00 H new ATOM 501 N LYS A 443 -5.245 4.981 3.203 1.00 10.00 N ATOM 502 CA LYS A 443 -4.293 5.641 4.077 1.00 10.00 C ATOM 503 C LYS A 443 -3.648 6.807 3.350 1.00 10.00 C ATOM 504 O LYS A 443 -3.428 7.867 3.930 1.00 10.00 O ATOM 505 CB LYS A 443 -3.224 4.656 4.554 1.00 10.00 C ATOM 506 CG LYS A 443 -3.544 4.012 5.894 1.00 10.00 C ATOM 507 CD LYS A 443 -3.979 2.565 5.730 1.00 10.00 C ATOM 508 CE LYS A 443 -3.904 1.808 7.046 1.00 10.00 C ATOM 509 NZ LYS A 443 -2.626 1.054 7.182 1.00 10.00 N ATOM 0 H LYS A 443 -4.987 4.032 2.932 1.00 10.00 H new ATOM 0 HA LYS A 443 -4.824 6.017 4.951 1.00 10.00 H new ATOM 0 HB2 LYS A 443 -3.102 3.874 3.804 1.00 10.00 H new ATOM 0 HB3 LYS A 443 -2.270 5.177 4.629 1.00 10.00 H new ATOM 0 HG2 LYS A 443 -2.667 4.058 6.539 1.00 10.00 H new ATOM 0 HG3 LYS A 443 -4.334 4.576 6.390 1.00 10.00 H new ATOM 0 HD2 LYS A 443 -4.999 2.532 5.348 1.00 10.00 H new ATOM 0 HD3 LYS A 443 -3.345 2.075 4.991 1.00 10.00 H new ATOM 0 HE2 LYS A 443 -4.001 2.510 7.874 1.00 10.00 H new ATOM 0 HE3 LYS A 443 -4.743 1.116 7.115 1.00 10.00 H new ATOM 0 HZ1 LYS A 443 -2.831 0.063 7.420 1.00 10.00 H new ATOM 0 HZ2 LYS A 443 -2.102 1.093 6.284 1.00 10.00 H new ATOM 0 HZ3 LYS A 443 -2.051 1.479 7.937 1.00 10.00 H new ATOM 523 N PHE A 444 -3.372 6.618 2.063 1.00 10.00 N ATOM 524 CA PHE A 444 -2.778 7.666 1.254 1.00 10.00 C ATOM 525 C PHE A 444 -3.750 8.822 1.167 1.00 10.00 C ATOM 526 O PHE A 444 -3.353 9.987 1.154 1.00 10.00 O ATOM 527 CB PHE A 444 -2.413 7.128 -0.129 1.00 10.00 C ATOM 528 CG PHE A 444 -1.722 8.128 -1.010 1.00 10.00 C ATOM 529 CD1 PHE A 444 -2.390 9.252 -1.471 1.00 10.00 C ATOM 530 CD2 PHE A 444 -0.402 7.939 -1.377 1.00 10.00 C ATOM 531 CE1 PHE A 444 -1.749 10.169 -2.282 1.00 10.00 C ATOM 532 CE2 PHE A 444 0.244 8.852 -2.189 1.00 10.00 C ATOM 533 CZ PHE A 444 -0.431 9.969 -2.642 1.00 10.00 C ATOM 0 H PHE A 444 -3.552 5.748 1.562 1.00 10.00 H new ATOM 0 HA PHE A 444 -1.855 8.018 1.714 1.00 10.00 H new ATOM 0 HB2 PHE A 444 -1.768 6.257 -0.010 1.00 10.00 H new ATOM 0 HB3 PHE A 444 -3.321 6.787 -0.626 1.00 10.00 H new ATOM 0 HD1 PHE A 444 -3.421 9.412 -1.194 1.00 10.00 H new ATOM 0 HD2 PHE A 444 0.130 7.068 -1.025 1.00 10.00 H new ATOM 0 HE1 PHE A 444 -2.279 11.042 -2.634 1.00 10.00 H new ATOM 0 HE2 PHE A 444 1.275 8.692 -2.469 1.00 10.00 H new ATOM 0 HZ PHE A 444 0.071 10.684 -3.276 1.00 10.00 H new ATOM 543 N MET A 445 -5.034 8.490 1.172 1.00 10.00 N ATOM 544 CA MET A 445 -6.064 9.503 1.163 1.00 10.00 C ATOM 545 C MET A 445 -6.096 10.153 2.541 1.00 10.00 C ATOM 546 O MET A 445 -6.431 11.329 2.694 1.00 10.00 O ATOM 547 CB MET A 445 -7.427 8.896 0.822 1.00 10.00 C ATOM 548 CG MET A 445 -7.614 8.613 -0.659 1.00 10.00 C ATOM 549 SD MET A 445 -7.523 10.104 -1.668 1.00 10.00 S ATOM 550 CE MET A 445 -8.856 9.812 -2.827 1.00 10.00 C ATOM 0 H MET A 445 -5.379 7.530 1.182 1.00 10.00 H new ATOM 0 HA MET A 445 -5.843 10.249 0.399 1.00 10.00 H new ATOM 0 HB2 MET A 445 -7.551 7.967 1.379 1.00 10.00 H new ATOM 0 HB3 MET A 445 -8.211 9.575 1.155 1.00 10.00 H new ATOM 0 HG2 MET A 445 -6.851 7.908 -0.989 1.00 10.00 H new ATOM 0 HG3 MET A 445 -8.580 8.133 -0.814 1.00 10.00 H new ATOM 0 HE1 MET A 445 -8.926 10.651 -3.520 1.00 10.00 H new ATOM 0 HE2 MET A 445 -8.659 8.896 -3.385 1.00 10.00 H new ATOM 0 HE3 MET A 445 -9.795 9.711 -2.283 1.00 10.00 H new ATOM 560 N GLN A 446 -5.705 9.358 3.538 1.00 10.00 N ATOM 561 CA GLN A 446 -5.633 9.795 4.923 1.00 10.00 C ATOM 562 C GLN A 446 -4.427 10.701 5.118 1.00 10.00 C ATOM 563 O GLN A 446 -4.474 11.684 5.858 1.00 10.00 O ATOM 564 CB GLN A 446 -5.493 8.572 5.835 1.00 10.00 C ATOM 565 CG GLN A 446 -5.970 8.809 7.258 1.00 10.00 C ATOM 566 CD GLN A 446 -6.663 7.595 7.846 1.00 10.00 C ATOM 567 OE1 GLN A 446 -6.337 7.154 8.949 1.00 10.00 O ATOM 568 NE2 GLN A 446 -7.624 7.048 7.111 1.00 10.00 N ATOM 0 H GLN A 446 -5.428 8.386 3.400 1.00 10.00 H new ATOM 0 HA GLN A 446 -6.542 10.343 5.172 1.00 10.00 H new ATOM 0 HB2 GLN A 446 -6.057 7.744 5.406 1.00 10.00 H new ATOM 0 HB3 GLN A 446 -4.447 8.266 5.859 1.00 10.00 H new ATOM 0 HG2 GLN A 446 -5.119 9.076 7.884 1.00 10.00 H new ATOM 0 HG3 GLN A 446 -6.655 9.657 7.272 1.00 10.00 H new ATOM 0 HE21 GLN A 446 -7.861 7.447 6.203 1.00 10.00 H new ATOM 0 HE22 GLN A 446 -8.125 6.229 7.455 1.00 10.00 H new ATOM 577 N HIS A 447 -3.343 10.338 4.447 1.00 10.00 N ATOM 578 CA HIS A 447 -2.095 11.077 4.523 1.00 10.00 C ATOM 579 C HIS A 447 -1.869 11.885 3.243 1.00 10.00 C ATOM 580 O HIS A 447 -1.395 11.355 2.238 1.00 10.00 O ATOM 581 CB HIS A 447 -0.947 10.094 4.762 1.00 10.00 C ATOM 582 CG HIS A 447 -1.215 9.153 5.902 1.00 10.00 C ATOM 583 ND1 HIS A 447 -1.119 9.537 7.223 1.00 10.00 N ATOM 584 CD2 HIS A 447 -1.599 7.848 5.920 1.00 10.00 C ATOM 585 CE1 HIS A 447 -1.430 8.518 8.002 1.00 10.00 C ATOM 586 NE2 HIS A 447 -1.727 7.483 7.237 1.00 10.00 N ATOM 0 H HIS A 447 -3.306 9.523 3.835 1.00 10.00 H new ATOM 0 HA HIS A 447 -2.139 11.783 5.352 1.00 10.00 H new ATOM 0 HB2 HIS A 447 -0.774 9.517 3.854 1.00 10.00 H new ATOM 0 HB3 HIS A 447 -0.033 10.652 4.965 1.00 10.00 H new ATOM 0 HD2 HIS A 447 -1.771 7.218 5.060 1.00 10.00 H new ATOM 0 HE1 HIS A 447 -1.440 8.529 9.082 1.00 10.00 H new ATOM 0 HE2 HIS A 447 -2.007 6.561 7.571 1.00 10.00 H new ATOM 595 N PRO A 448 -2.223 13.185 3.265 1.00 10.00 N ATOM 596 CA PRO A 448 -2.079 14.075 2.108 1.00 10.00 C ATOM 597 C PRO A 448 -0.777 13.874 1.338 1.00 10.00 C ATOM 598 O PRO A 448 0.240 14.492 1.651 1.00 10.00 O ATOM 599 CB PRO A 448 -2.115 15.461 2.746 1.00 10.00 C ATOM 600 CG PRO A 448 -3.005 15.303 3.929 1.00 10.00 C ATOM 601 CD PRO A 448 -2.810 13.891 4.423 1.00 10.00 C ATOM 0 HA PRO A 448 -2.855 13.895 1.363 1.00 10.00 H new ATOM 0 HB2 PRO A 448 -1.118 15.789 3.040 1.00 10.00 H new ATOM 0 HB3 PRO A 448 -2.504 16.207 2.053 1.00 10.00 H new ATOM 0 HG2 PRO A 448 -2.751 16.025 4.705 1.00 10.00 H new ATOM 0 HG3 PRO A 448 -4.046 15.479 3.658 1.00 10.00 H new ATOM 0 HD2 PRO A 448 -2.147 13.859 5.288 1.00 10.00 H new ATOM 0 HD3 PRO A 448 -3.755 13.441 4.728 1.00 10.00 H new ATOM 609 N LYS A 449 -0.827 13.017 0.320 1.00 10.00 N ATOM 610 CA LYS A 449 0.334 12.733 -0.525 1.00 10.00 C ATOM 611 C LYS A 449 1.611 12.559 0.296 1.00 10.00 C ATOM 612 O LYS A 449 2.234 13.535 0.711 1.00 10.00 O ATOM 613 CB LYS A 449 0.527 13.854 -1.547 1.00 10.00 C ATOM 614 CG LYS A 449 1.378 13.450 -2.739 1.00 10.00 C ATOM 615 CD LYS A 449 2.832 13.850 -2.548 1.00 10.00 C ATOM 616 CE LYS A 449 3.067 15.301 -2.940 1.00 10.00 C ATOM 617 NZ LYS A 449 3.594 15.423 -4.326 1.00 10.00 N ATOM 0 H LYS A 449 -1.667 12.502 0.058 1.00 10.00 H new ATOM 0 HA LYS A 449 0.139 11.793 -1.041 1.00 10.00 H new ATOM 0 HB2 LYS A 449 -0.450 14.182 -1.903 1.00 10.00 H new ATOM 0 HB3 LYS A 449 0.990 14.709 -1.054 1.00 10.00 H new ATOM 0 HG2 LYS A 449 1.313 12.372 -2.885 1.00 10.00 H new ATOM 0 HG3 LYS A 449 0.987 13.918 -3.642 1.00 10.00 H new ATOM 0 HD2 LYS A 449 3.117 13.703 -1.506 1.00 10.00 H new ATOM 0 HD3 LYS A 449 3.471 13.202 -3.148 1.00 10.00 H new ATOM 0 HE2 LYS A 449 2.132 15.855 -2.857 1.00 10.00 H new ATOM 0 HE3 LYS A 449 3.770 15.756 -2.243 1.00 10.00 H new ATOM 0 HZ1 LYS A 449 3.741 16.427 -4.555 1.00 10.00 H new ATOM 0 HZ2 LYS A 449 4.499 14.916 -4.399 1.00 10.00 H new ATOM 0 HZ3 LYS A 449 2.911 15.012 -4.994 1.00 10.00 H new ATOM 631 N ASN A 450 2.003 11.308 0.513 1.00 10.00 N ATOM 632 CA ASN A 450 3.211 11.011 1.271 1.00 10.00 C ATOM 633 C ASN A 450 3.922 9.786 0.708 1.00 10.00 C ATOM 634 O ASN A 450 5.106 9.839 0.374 1.00 10.00 O ATOM 635 CB ASN A 450 2.878 10.793 2.750 1.00 10.00 C ATOM 636 CG ASN A 450 1.684 9.879 2.954 1.00 10.00 C ATOM 637 OD1 ASN A 450 0.677 9.989 2.255 1.00 10.00 O ATOM 638 ND2 ASN A 450 1.791 8.970 3.917 1.00 10.00 N ATOM 0 H ASN A 450 1.503 10.486 0.175 1.00 10.00 H new ATOM 0 HA ASN A 450 3.880 11.867 1.183 1.00 10.00 H new ATOM 0 HB2 ASN A 450 3.746 10.368 3.255 1.00 10.00 H new ATOM 0 HB3 ASN A 450 2.677 11.756 3.219 1.00 10.00 H new ATOM 0 HD21 ASN A 450 1.020 8.328 4.101 1.00 10.00 H new ATOM 0 HD22 ASN A 450 2.644 8.914 4.473 1.00 10.00 H new ATOM 645 N PHE A 451 3.191 8.684 0.611 1.00 10.00 N ATOM 646 CA PHE A 451 3.743 7.435 0.094 1.00 10.00 C ATOM 647 C PHE A 451 4.870 6.914 0.988 1.00 10.00 C ATOM 648 O PHE A 451 5.567 5.965 0.630 1.00 10.00 O ATOM 649 CB PHE A 451 4.239 7.629 -1.343 1.00 10.00 C ATOM 650 CG PHE A 451 3.626 6.674 -2.332 1.00 10.00 C ATOM 651 CD1 PHE A 451 2.312 6.263 -2.191 1.00 10.00 C ATOM 652 CD2 PHE A 451 4.362 6.196 -3.404 1.00 10.00 C ATOM 653 CE1 PHE A 451 1.740 5.393 -3.096 1.00 10.00 C ATOM 654 CE2 PHE A 451 3.796 5.323 -4.314 1.00 10.00 C ATOM 655 CZ PHE A 451 2.483 4.921 -4.161 1.00 10.00 C ATOM 0 H PHE A 451 2.210 8.628 0.884 1.00 10.00 H new ATOM 0 HA PHE A 451 2.949 6.688 0.093 1.00 10.00 H new ATOM 0 HB2 PHE A 451 4.023 8.650 -1.657 1.00 10.00 H new ATOM 0 HB3 PHE A 451 5.322 7.511 -1.362 1.00 10.00 H new ATOM 0 HD1 PHE A 451 1.726 6.629 -1.361 1.00 10.00 H new ATOM 0 HD2 PHE A 451 5.388 6.509 -3.530 1.00 10.00 H new ATOM 0 HE1 PHE A 451 0.713 5.081 -2.972 1.00 10.00 H new ATOM 0 HE2 PHE A 451 4.380 4.955 -5.145 1.00 10.00 H new ATOM 0 HZ PHE A 451 2.039 4.240 -4.872 1.00 10.00 H new ATOM 665 N GLY A 452 5.028 7.526 2.159 1.00 10.00 N ATOM 666 CA GLY A 452 6.048 7.101 3.094 1.00 10.00 C ATOM 667 C GLY A 452 5.456 6.268 4.210 1.00 10.00 C ATOM 668 O GLY A 452 6.094 5.344 4.715 1.00 10.00 O ATOM 0 H GLY A 452 4.462 8.313 2.476 1.00 10.00 H new ATOM 0 HA2 GLY A 452 6.808 6.522 2.569 1.00 10.00 H new ATOM 0 HA3 GLY A 452 6.546 7.975 3.514 1.00 10.00 H new ATOM 672 N LEU A 453 4.220 6.589 4.583 1.00 10.00 N ATOM 673 CA LEU A 453 3.525 5.856 5.631 1.00 10.00 C ATOM 674 C LEU A 453 2.876 4.611 5.057 1.00 10.00 C ATOM 675 O LEU A 453 3.054 3.508 5.573 1.00 10.00 O ATOM 676 CB LEU A 453 2.460 6.730 6.300 1.00 10.00 C ATOM 677 CG LEU A 453 1.432 5.961 7.135 1.00 10.00 C ATOM 678 CD1 LEU A 453 0.936 6.814 8.290 1.00 10.00 C ATOM 679 CD2 LEU A 453 0.271 5.496 6.261 1.00 10.00 C ATOM 0 H LEU A 453 3.681 7.352 4.174 1.00 10.00 H new ATOM 0 HA LEU A 453 4.259 5.568 6.383 1.00 10.00 H new ATOM 0 HB2 LEU A 453 2.957 7.458 6.941 1.00 10.00 H new ATOM 0 HB3 LEU A 453 1.934 7.292 5.528 1.00 10.00 H new ATOM 0 HG LEU A 453 1.916 5.078 7.551 1.00 10.00 H new ATOM 0 HD11 LEU A 453 0.206 6.250 8.872 1.00 10.00 H new ATOM 0 HD12 LEU A 453 1.777 7.086 8.928 1.00 10.00 H new ATOM 0 HD13 LEU A 453 0.469 7.718 7.900 1.00 10.00 H new ATOM 0 HD21 LEU A 453 -0.449 4.952 6.872 1.00 10.00 H new ATOM 0 HD22 LEU A 453 -0.216 6.362 5.812 1.00 10.00 H new ATOM 0 HD23 LEU A 453 0.647 4.842 5.474 1.00 10.00 H new ATOM 691 N ILE A 454 2.120 4.792 3.980 1.00 10.00 N ATOM 692 CA ILE A 454 1.449 3.679 3.336 1.00 10.00 C ATOM 693 C ILE A 454 2.453 2.629 2.922 1.00 10.00 C ATOM 694 O ILE A 454 2.168 1.441 2.962 1.00 10.00 O ATOM 695 CB ILE A 454 0.623 4.151 2.132 1.00 10.00 C ATOM 696 CG1 ILE A 454 -0.656 4.771 2.650 1.00 10.00 C ATOM 697 CG2 ILE A 454 0.324 3.008 1.168 1.00 10.00 C ATOM 698 CD1 ILE A 454 -0.566 6.274 2.759 1.00 10.00 C ATOM 0 H ILE A 454 1.959 5.697 3.539 1.00 10.00 H new ATOM 0 HA ILE A 454 0.760 3.235 4.055 1.00 10.00 H new ATOM 0 HB ILE A 454 1.196 4.888 1.569 1.00 10.00 H new ATOM 0 HG12 ILE A 454 -1.479 4.507 1.986 1.00 10.00 H new ATOM 0 HG13 ILE A 454 -0.889 4.352 3.629 1.00 10.00 H new ATOM 0 HG21 ILE A 454 -0.262 3.383 0.329 1.00 10.00 H new ATOM 0 HG22 ILE A 454 1.260 2.590 0.798 1.00 10.00 H new ATOM 0 HG23 ILE A 454 -0.240 2.233 1.687 1.00 10.00 H new ATOM 0 HD11 ILE A 454 -1.510 6.669 3.135 1.00 10.00 H new ATOM 0 HD12 ILE A 454 0.238 6.542 3.444 1.00 10.00 H new ATOM 0 HD13 ILE A 454 -0.361 6.698 1.776 1.00 10.00 H new ATOM 710 N ALA A 455 3.644 3.077 2.566 1.00 10.00 N ATOM 711 CA ALA A 455 4.711 2.170 2.193 1.00 10.00 C ATOM 712 C ALA A 455 5.466 1.719 3.440 1.00 10.00 C ATOM 713 O ALA A 455 6.556 1.154 3.350 1.00 10.00 O ATOM 714 CB ALA A 455 5.657 2.843 1.212 1.00 10.00 C ATOM 0 H ALA A 455 3.895 4.065 2.528 1.00 10.00 H new ATOM 0 HA ALA A 455 4.280 1.295 1.707 1.00 10.00 H new ATOM 0 HB1 ALA A 455 6.453 2.150 0.941 1.00 10.00 H new ATOM 0 HB2 ALA A 455 5.107 3.132 0.316 1.00 10.00 H new ATOM 0 HB3 ALA A 455 6.090 3.730 1.674 1.00 10.00 H new ATOM 720 N SER A 456 4.879 1.987 4.610 1.00 10.00 N ATOM 721 CA SER A 456 5.495 1.624 5.877 1.00 10.00 C ATOM 722 C SER A 456 4.624 0.649 6.664 1.00 10.00 C ATOM 723 O SER A 456 5.143 -0.208 7.378 1.00 10.00 O ATOM 724 CB SER A 456 5.759 2.876 6.714 1.00 10.00 C ATOM 725 OG SER A 456 6.535 2.571 7.860 1.00 10.00 O ATOM 0 H SER A 456 3.977 2.455 4.700 1.00 10.00 H new ATOM 0 HA SER A 456 6.441 1.130 5.656 1.00 10.00 H new ATOM 0 HB2 SER A 456 6.277 3.619 6.108 1.00 10.00 H new ATOM 0 HB3 SER A 456 4.811 3.319 7.020 1.00 10.00 H new ATOM 0 HG SER A 456 6.691 3.389 8.377 1.00 10.00 H new ATOM 731 N PHE A 457 3.301 0.772 6.540 1.00 10.00 N ATOM 732 CA PHE A 457 2.404 -0.126 7.262 1.00 10.00 C ATOM 733 C PHE A 457 2.324 -1.485 6.564 1.00 10.00 C ATOM 734 O PHE A 457 2.012 -2.498 7.189 1.00 10.00 O ATOM 735 CB PHE A 457 1.011 0.501 7.433 1.00 10.00 C ATOM 736 CG PHE A 457 0.143 0.447 6.208 1.00 10.00 C ATOM 737 CD1 PHE A 457 -0.358 -0.763 5.748 1.00 10.00 C ATOM 738 CD2 PHE A 457 -0.173 1.607 5.514 1.00 10.00 C ATOM 739 CE1 PHE A 457 -1.152 -0.815 4.623 1.00 10.00 C ATOM 740 CE2 PHE A 457 -0.970 1.559 4.390 1.00 10.00 C ATOM 741 CZ PHE A 457 -1.460 0.350 3.944 1.00 10.00 C ATOM 0 H PHE A 457 2.836 1.470 5.959 1.00 10.00 H new ATOM 0 HA PHE A 457 2.813 -0.286 8.260 1.00 10.00 H new ATOM 0 HB2 PHE A 457 0.497 -0.007 8.249 1.00 10.00 H new ATOM 0 HB3 PHE A 457 1.131 1.543 7.731 1.00 10.00 H new ATOM 0 HD1 PHE A 457 -0.123 -1.674 6.278 1.00 10.00 H new ATOM 0 HD2 PHE A 457 0.209 2.557 5.858 1.00 10.00 H new ATOM 0 HE1 PHE A 457 -1.533 -1.763 4.272 1.00 10.00 H new ATOM 0 HE2 PHE A 457 -1.210 2.468 3.859 1.00 10.00 H new ATOM 0 HZ PHE A 457 -2.085 0.313 3.064 1.00 10.00 H new ATOM 751 N LEU A 458 2.628 -1.498 5.268 1.00 10.00 N ATOM 752 CA LEU A 458 2.616 -2.728 4.481 1.00 10.00 C ATOM 753 C LEU A 458 4.040 -3.085 4.064 1.00 10.00 C ATOM 754 O LEU A 458 4.292 -3.451 2.919 1.00 10.00 O ATOM 755 CB LEU A 458 1.713 -2.571 3.253 1.00 10.00 C ATOM 756 CG LEU A 458 1.689 -1.166 2.658 1.00 10.00 C ATOM 757 CD1 LEU A 458 3.062 -0.820 2.102 1.00 10.00 C ATOM 758 CD2 LEU A 458 0.614 -1.040 1.580 1.00 10.00 C ATOM 0 H LEU A 458 2.887 -0.665 4.739 1.00 10.00 H new ATOM 0 HA LEU A 458 2.215 -3.537 5.091 1.00 10.00 H new ATOM 0 HB2 LEU A 458 2.041 -3.271 2.485 1.00 10.00 H new ATOM 0 HB3 LEU A 458 0.696 -2.853 3.527 1.00 10.00 H new ATOM 0 HG LEU A 458 1.440 -0.458 3.448 1.00 10.00 H new ATOM 0 HD11 LEU A 458 3.040 0.184 1.678 1.00 10.00 H new ATOM 0 HD12 LEU A 458 3.800 -0.860 2.903 1.00 10.00 H new ATOM 0 HD13 LEU A 458 3.331 -1.536 1.325 1.00 10.00 H new ATOM 0 HD21 LEU A 458 0.622 -0.028 1.175 1.00 10.00 H new ATOM 0 HD22 LEU A 458 0.816 -1.752 0.780 1.00 10.00 H new ATOM 0 HD23 LEU A 458 -0.363 -1.250 2.015 1.00 10.00 H new ATOM 770 N GLU A 459 4.954 -2.952 5.030 1.00 10.00 N ATOM 771 CA GLU A 459 6.393 -3.227 4.869 1.00 10.00 C ATOM 772 C GLU A 459 6.737 -4.003 3.598 1.00 10.00 C ATOM 773 O GLU A 459 7.626 -3.603 2.847 1.00 10.00 O ATOM 774 CB GLU A 459 6.912 -3.993 6.086 1.00 10.00 C ATOM 775 CG GLU A 459 8.331 -3.617 6.482 1.00 10.00 C ATOM 776 CD GLU A 459 9.090 -4.776 7.098 1.00 10.00 C ATOM 777 OE1 GLU A 459 8.450 -5.619 7.762 1.00 10.00 O ATOM 778 OE2 GLU A 459 10.325 -4.840 6.918 1.00 10.00 O ATOM 0 H GLU A 459 4.712 -2.642 5.971 1.00 10.00 H new ATOM 0 HA GLU A 459 6.880 -2.256 4.782 1.00 10.00 H new ATOM 0 HB2 GLU A 459 6.247 -3.810 6.930 1.00 10.00 H new ATOM 0 HB3 GLU A 459 6.873 -5.062 5.876 1.00 10.00 H new ATOM 0 HG2 GLU A 459 8.868 -3.262 5.602 1.00 10.00 H new ATOM 0 HG3 GLU A 459 8.299 -2.790 7.191 1.00 10.00 H new ATOM 785 N ARG A 460 6.040 -5.111 3.360 1.00 10.00 N ATOM 786 CA ARG A 460 6.283 -5.935 2.177 1.00 10.00 C ATOM 787 C ARG A 460 6.451 -5.067 0.933 1.00 10.00 C ATOM 788 O ARG A 460 7.151 -5.437 -0.010 1.00 10.00 O ATOM 789 CB ARG A 460 5.132 -6.923 1.973 1.00 10.00 C ATOM 790 CG ARG A 460 5.560 -8.229 1.324 1.00 10.00 C ATOM 791 CD ARG A 460 6.358 -9.094 2.286 1.00 10.00 C ATOM 792 NE ARG A 460 5.502 -9.756 3.268 1.00 10.00 N ATOM 793 CZ ARG A 460 5.962 -10.486 4.280 1.00 10.00 C ATOM 794 NH1 ARG A 460 7.268 -10.650 4.450 1.00 10.00 N ATOM 795 NH2 ARG A 460 5.114 -11.053 5.128 1.00 10.00 N ATOM 0 H ARG A 460 5.301 -5.460 3.971 1.00 10.00 H new ATOM 0 HA ARG A 460 7.207 -6.491 2.336 1.00 10.00 H new ATOM 0 HB2 ARG A 460 4.674 -7.139 2.938 1.00 10.00 H new ATOM 0 HB3 ARG A 460 4.366 -6.454 1.355 1.00 10.00 H new ATOM 0 HG2 ARG A 460 4.679 -8.775 0.987 1.00 10.00 H new ATOM 0 HG3 ARG A 460 6.161 -8.017 0.440 1.00 10.00 H new ATOM 0 HD2 ARG A 460 6.912 -9.845 1.723 1.00 10.00 H new ATOM 0 HD3 ARG A 460 7.093 -8.477 2.803 1.00 10.00 H new ATOM 0 HE ARG A 460 4.492 -9.652 3.172 1.00 10.00 H new ATOM 0 HH11 ARG A 460 7.925 -10.215 3.803 1.00 10.00 H new ATOM 0 HH12 ARG A 460 7.615 -11.211 5.228 1.00 10.00 H new ATOM 0 HH21 ARG A 460 4.109 -10.929 5.004 1.00 10.00 H new ATOM 0 HH22 ARG A 460 5.467 -11.613 5.904 1.00 10.00 H new ATOM 809 N LYS A 461 5.807 -3.906 0.947 1.00 10.00 N ATOM 810 CA LYS A 461 5.883 -2.968 -0.168 1.00 10.00 C ATOM 811 C LYS A 461 6.867 -1.844 0.154 1.00 10.00 C ATOM 812 O LYS A 461 7.702 -1.977 1.047 1.00 10.00 O ATOM 813 CB LYS A 461 4.498 -2.385 -0.483 1.00 10.00 C ATOM 814 CG LYS A 461 3.330 -3.280 -0.083 1.00 10.00 C ATOM 815 CD LYS A 461 2.893 -4.176 -1.232 1.00 10.00 C ATOM 816 CE LYS A 461 3.908 -5.277 -1.504 1.00 10.00 C ATOM 817 NZ LYS A 461 3.526 -6.558 -0.848 1.00 10.00 N ATOM 0 H LYS A 461 5.224 -3.590 1.722 1.00 10.00 H new ATOM 0 HA LYS A 461 6.237 -3.507 -1.047 1.00 10.00 H new ATOM 0 HB2 LYS A 461 4.396 -1.427 0.027 1.00 10.00 H new ATOM 0 HB3 LYS A 461 4.437 -2.185 -1.553 1.00 10.00 H new ATOM 0 HG2 LYS A 461 3.617 -3.895 0.770 1.00 10.00 H new ATOM 0 HG3 LYS A 461 2.491 -2.663 0.237 1.00 10.00 H new ATOM 0 HD2 LYS A 461 1.926 -4.622 -0.999 1.00 10.00 H new ATOM 0 HD3 LYS A 461 2.758 -3.575 -2.131 1.00 10.00 H new ATOM 0 HE2 LYS A 461 3.996 -5.432 -2.579 1.00 10.00 H new ATOM 0 HE3 LYS A 461 4.889 -4.964 -1.145 1.00 10.00 H new ATOM 0 HZ1 LYS A 461 4.368 -7.160 -0.746 1.00 10.00 H new ATOM 0 HZ2 LYS A 461 3.125 -6.361 0.091 1.00 10.00 H new ATOM 0 HZ3 LYS A 461 2.818 -7.049 -1.431 1.00 10.00 H new ATOM 831 N THR A 462 6.765 -0.736 -0.573 1.00 10.00 N ATOM 832 CA THR A 462 7.650 0.403 -0.351 1.00 10.00 C ATOM 833 C THR A 462 7.129 1.638 -1.076 1.00 10.00 C ATOM 834 O THR A 462 6.139 1.569 -1.803 1.00 10.00 O ATOM 835 CB THR A 462 9.070 0.076 -0.822 1.00 10.00 C ATOM 836 OG1 THR A 462 9.075 -1.075 -1.647 1.00 10.00 O ATOM 837 CG2 THR A 462 10.034 -0.173 0.317 1.00 10.00 C ATOM 0 H THR A 462 6.081 -0.602 -1.318 1.00 10.00 H new ATOM 0 HA THR A 462 7.674 0.613 0.718 1.00 10.00 H new ATOM 0 HB THR A 462 9.400 0.957 -1.373 1.00 10.00 H new ATOM 0 HG1 THR A 462 9.991 -1.265 -1.938 1.00 10.00 H new ATOM 0 HG21 THR A 462 11.022 -0.399 -0.085 1.00 10.00 H new ATOM 0 HG22 THR A 462 10.093 0.716 0.945 1.00 10.00 H new ATOM 0 HG23 THR A 462 9.683 -1.016 0.913 1.00 10.00 H new ATOM 845 N VAL A 463 7.797 2.768 -0.875 1.00 10.00 N ATOM 846 CA VAL A 463 7.390 4.011 -1.517 1.00 10.00 C ATOM 847 C VAL A 463 7.594 3.927 -3.024 1.00 10.00 C ATOM 848 O VAL A 463 6.760 4.394 -3.800 1.00 10.00 O ATOM 849 CB VAL A 463 8.170 5.221 -0.960 1.00 10.00 C ATOM 850 CG1 VAL A 463 7.568 6.526 -1.459 1.00 10.00 C ATOM 851 CG2 VAL A 463 8.197 5.186 0.563 1.00 10.00 C ATOM 0 H VAL A 463 8.618 2.849 -0.276 1.00 10.00 H new ATOM 0 HA VAL A 463 6.331 4.154 -1.300 1.00 10.00 H new ATOM 0 HB VAL A 463 9.197 5.162 -1.321 1.00 10.00 H new ATOM 0 HG11 VAL A 463 8.133 7.366 -1.054 1.00 10.00 H new ATOM 0 HG12 VAL A 463 7.609 6.552 -2.548 1.00 10.00 H new ATOM 0 HG13 VAL A 463 6.530 6.596 -1.133 1.00 10.00 H new ATOM 0 HG21 VAL A 463 8.751 6.047 0.937 1.00 10.00 H new ATOM 0 HG22 VAL A 463 7.177 5.217 0.946 1.00 10.00 H new ATOM 0 HG23 VAL A 463 8.682 4.269 0.897 1.00 10.00 H new ATOM 861 N ALA A 464 8.697 3.310 -3.431 1.00 10.00 N ATOM 862 CA ALA A 464 8.999 3.143 -4.846 1.00 10.00 C ATOM 863 C ALA A 464 8.278 1.920 -5.401 1.00 10.00 C ATOM 864 O ALA A 464 7.982 1.846 -6.594 1.00 10.00 O ATOM 865 CB ALA A 464 10.500 3.020 -5.058 1.00 10.00 C ATOM 0 H ALA A 464 9.396 2.917 -2.801 1.00 10.00 H new ATOM 0 HA ALA A 464 8.647 4.024 -5.383 1.00 10.00 H new ATOM 0 HB1 ALA A 464 10.708 2.896 -6.121 1.00 10.00 H new ATOM 0 HB2 ALA A 464 10.994 3.921 -4.694 1.00 10.00 H new ATOM 0 HB3 ALA A 464 10.875 2.155 -4.511 1.00 10.00 H new ATOM 871 N GLU A 465 7.991 0.963 -4.521 1.00 10.00 N ATOM 872 CA GLU A 465 7.296 -0.255 -4.912 1.00 10.00 C ATOM 873 C GLU A 465 5.787 -0.037 -4.915 1.00 10.00 C ATOM 874 O GLU A 465 5.057 -0.706 -5.647 1.00 10.00 O ATOM 875 CB GLU A 465 7.657 -1.401 -3.965 1.00 10.00 C ATOM 876 CG GLU A 465 7.100 -2.747 -4.398 1.00 10.00 C ATOM 877 CD GLU A 465 8.140 -3.617 -5.077 1.00 10.00 C ATOM 878 OE1 GLU A 465 8.910 -4.290 -4.360 1.00 10.00 O ATOM 879 OE2 GLU A 465 8.184 -3.626 -6.325 1.00 10.00 O ATOM 0 H GLU A 465 8.231 1.011 -3.531 1.00 10.00 H new ATOM 0 HA GLU A 465 7.611 -0.518 -5.922 1.00 10.00 H new ATOM 0 HB2 GLU A 465 8.742 -1.473 -3.892 1.00 10.00 H new ATOM 0 HB3 GLU A 465 7.285 -1.167 -2.967 1.00 10.00 H new ATOM 0 HG2 GLU A 465 6.706 -3.271 -3.527 1.00 10.00 H new ATOM 0 HG3 GLU A 465 6.264 -2.588 -5.079 1.00 10.00 H new ATOM 886 N CYS A 466 5.323 0.907 -4.099 1.00 10.00 N ATOM 887 CA CYS A 466 3.900 1.211 -4.023 1.00 10.00 C ATOM 888 C CYS A 466 3.427 1.863 -5.313 1.00 10.00 C ATOM 889 O CYS A 466 2.240 1.834 -5.637 1.00 10.00 O ATOM 890 CB CYS A 466 3.605 2.119 -2.826 1.00 10.00 C ATOM 891 SG CYS A 466 3.284 1.229 -1.286 1.00 10.00 S ATOM 0 H CYS A 466 5.910 1.471 -3.485 1.00 10.00 H new ATOM 0 HA CYS A 466 3.356 0.276 -3.887 1.00 10.00 H new ATOM 0 HB2 CYS A 466 4.451 2.790 -2.676 1.00 10.00 H new ATOM 0 HB3 CYS A 466 2.741 2.742 -3.060 1.00 10.00 H new ATOM 0 HG CYS A 466 4.400 0.754 -0.819 1.00 10.00 H new ATOM 897 N VAL A 467 4.369 2.431 -6.065 1.00 10.00 N ATOM 898 CA VAL A 467 4.047 3.061 -7.336 1.00 10.00 C ATOM 899 C VAL A 467 3.403 2.045 -8.280 1.00 10.00 C ATOM 900 O VAL A 467 2.777 2.413 -9.272 1.00 10.00 O ATOM 901 CB VAL A 467 5.305 3.658 -8.000 1.00 10.00 C ATOM 902 CG1 VAL A 467 4.964 4.282 -9.346 1.00 10.00 C ATOM 903 CG2 VAL A 467 5.954 4.682 -7.082 1.00 10.00 C ATOM 0 H VAL A 467 5.357 2.466 -5.814 1.00 10.00 H new ATOM 0 HA VAL A 467 3.345 3.871 -7.138 1.00 10.00 H new ATOM 0 HB VAL A 467 6.016 2.850 -8.174 1.00 10.00 H new ATOM 0 HG11 VAL A 467 5.867 4.696 -9.794 1.00 10.00 H new ATOM 0 HG12 VAL A 467 4.548 3.520 -10.005 1.00 10.00 H new ATOM 0 HG13 VAL A 467 4.232 5.077 -9.203 1.00 10.00 H new ATOM 0 HG21 VAL A 467 6.840 5.094 -7.565 1.00 10.00 H new ATOM 0 HG22 VAL A 467 5.247 5.485 -6.876 1.00 10.00 H new ATOM 0 HG23 VAL A 467 6.241 4.202 -6.146 1.00 10.00 H new ATOM 913 N LEU A 468 3.558 0.762 -7.953 1.00 10.00 N ATOM 914 CA LEU A 468 2.989 -0.310 -8.757 1.00 10.00 C ATOM 915 C LEU A 468 1.478 -0.428 -8.540 1.00 10.00 C ATOM 916 O LEU A 468 0.825 -1.279 -9.141 1.00 10.00 O ATOM 917 CB LEU A 468 3.677 -1.634 -8.421 1.00 10.00 C ATOM 918 CG LEU A 468 4.364 -2.325 -9.600 1.00 10.00 C ATOM 919 CD1 LEU A 468 5.681 -1.639 -9.927 1.00 10.00 C ATOM 920 CD2 LEU A 468 4.589 -3.798 -9.296 1.00 10.00 C ATOM 0 H LEU A 468 4.075 0.443 -7.134 1.00 10.00 H new ATOM 0 HA LEU A 468 3.157 -0.073 -9.807 1.00 10.00 H new ATOM 0 HB2 LEU A 468 4.419 -1.453 -7.643 1.00 10.00 H new ATOM 0 HB3 LEU A 468 2.936 -2.315 -8.002 1.00 10.00 H new ATOM 0 HG LEU A 468 3.713 -2.249 -10.471 1.00 10.00 H new ATOM 0 HD11 LEU A 468 6.155 -2.144 -10.768 1.00 10.00 H new ATOM 0 HD12 LEU A 468 5.494 -0.597 -10.188 1.00 10.00 H new ATOM 0 HD13 LEU A 468 6.339 -1.683 -9.059 1.00 10.00 H new ATOM 0 HD21 LEU A 468 5.079 -4.274 -10.145 1.00 10.00 H new ATOM 0 HD22 LEU A 468 5.220 -3.895 -8.412 1.00 10.00 H new ATOM 0 HD23 LEU A 468 3.630 -4.282 -9.112 1.00 10.00 H new ATOM 932 N TYR A 469 0.928 0.428 -7.681 1.00 10.00 N ATOM 933 CA TYR A 469 -0.503 0.422 -7.401 1.00 10.00 C ATOM 934 C TYR A 469 -1.132 1.777 -7.736 1.00 10.00 C ATOM 935 O TYR A 469 -2.345 1.946 -7.635 1.00 10.00 O ATOM 936 CB TYR A 469 -0.752 0.016 -5.932 1.00 10.00 C ATOM 937 CG TYR A 469 -1.248 1.091 -4.978 1.00 10.00 C ATOM 938 CD1 TYR A 469 -0.840 2.414 -5.095 1.00 10.00 C ATOM 939 CD2 TYR A 469 -2.113 0.764 -3.932 1.00 10.00 C ATOM 940 CE1 TYR A 469 -1.277 3.380 -4.213 1.00 10.00 C ATOM 941 CE2 TYR A 469 -2.548 1.728 -3.045 1.00 10.00 C ATOM 942 CZ TYR A 469 -2.129 3.033 -3.190 1.00 10.00 C ATOM 943 OH TYR A 469 -2.554 3.993 -2.307 1.00 10.00 O ATOM 0 H TYR A 469 1.454 1.135 -7.167 1.00 10.00 H new ATOM 0 HA TYR A 469 -0.986 -0.318 -8.039 1.00 10.00 H new ATOM 0 HB2 TYR A 469 -1.477 -0.798 -5.927 1.00 10.00 H new ATOM 0 HB3 TYR A 469 0.179 -0.384 -5.532 1.00 10.00 H new ATOM 0 HD1 TYR A 469 -0.167 2.692 -5.893 1.00 10.00 H new ATOM 0 HD2 TYR A 469 -2.446 -0.257 -3.815 1.00 10.00 H new ATOM 0 HE1 TYR A 469 -0.952 4.404 -4.325 1.00 10.00 H new ATOM 0 HE2 TYR A 469 -3.215 1.460 -2.239 1.00 10.00 H new ATOM 0 HH TYR A 469 -2.588 4.862 -2.760 1.00 10.00 H new ATOM 953 N TYR A 470 -0.290 2.745 -8.113 1.00 10.00 N ATOM 954 CA TYR A 470 -0.760 4.085 -8.437 1.00 10.00 C ATOM 955 C TYR A 470 -0.918 4.275 -9.944 1.00 10.00 C ATOM 956 O TYR A 470 -1.768 5.046 -10.390 1.00 10.00 O ATOM 957 CB TYR A 470 0.196 5.135 -7.840 1.00 10.00 C ATOM 958 CG TYR A 470 0.928 5.985 -8.859 1.00 10.00 C ATOM 959 CD1 TYR A 470 1.814 5.415 -9.763 1.00 10.00 C ATOM 960 CD2 TYR A 470 0.734 7.361 -8.912 1.00 10.00 C ATOM 961 CE1 TYR A 470 2.484 6.186 -10.690 1.00 10.00 C ATOM 962 CE2 TYR A 470 1.402 8.140 -9.837 1.00 10.00 C ATOM 963 CZ TYR A 470 2.276 7.548 -10.724 1.00 10.00 C ATOM 964 OH TYR A 470 2.943 8.320 -11.648 1.00 10.00 O ATOM 0 H TYR A 470 0.719 2.620 -8.200 1.00 10.00 H new ATOM 0 HA TYR A 470 -1.747 4.219 -7.994 1.00 10.00 H new ATOM 0 HB2 TYR A 470 -0.374 5.792 -7.183 1.00 10.00 H new ATOM 0 HB3 TYR A 470 0.932 4.624 -7.219 1.00 10.00 H new ATOM 0 HD1 TYR A 470 1.982 4.348 -9.740 1.00 10.00 H new ATOM 0 HD2 TYR A 470 0.050 7.828 -8.219 1.00 10.00 H new ATOM 0 HE1 TYR A 470 3.169 5.724 -11.386 1.00 10.00 H new ATOM 0 HE2 TYR A 470 1.240 9.207 -9.865 1.00 10.00 H new ATOM 0 HH TYR A 470 2.683 9.259 -11.539 1.00 10.00 H new ATOM 974 N TYR A 471 -0.101 3.577 -10.729 1.00 10.00 N ATOM 975 CA TYR A 471 -0.183 3.698 -12.181 1.00 10.00 C ATOM 976 C TYR A 471 -1.333 2.859 -12.738 1.00 10.00 C ATOM 977 O TYR A 471 -1.621 2.899 -13.934 1.00 10.00 O ATOM 978 CB TYR A 471 1.151 3.316 -12.840 1.00 10.00 C ATOM 979 CG TYR A 471 1.383 1.826 -12.988 1.00 10.00 C ATOM 980 CD1 TYR A 471 0.719 1.093 -13.964 1.00 10.00 C ATOM 981 CD2 TYR A 471 2.272 1.156 -12.156 1.00 10.00 C ATOM 982 CE1 TYR A 471 0.933 -0.266 -14.105 1.00 10.00 C ATOM 983 CE2 TYR A 471 2.492 -0.202 -12.294 1.00 10.00 C ATOM 984 CZ TYR A 471 1.820 -0.908 -13.268 1.00 10.00 C ATOM 985 OH TYR A 471 2.036 -2.259 -13.407 1.00 10.00 O ATOM 0 H TYR A 471 0.614 2.932 -10.391 1.00 10.00 H new ATOM 0 HA TYR A 471 -0.387 4.742 -12.420 1.00 10.00 H new ATOM 0 HB2 TYR A 471 1.198 3.776 -13.827 1.00 10.00 H new ATOM 0 HB3 TYR A 471 1.965 3.740 -12.252 1.00 10.00 H new ATOM 0 HD1 TYR A 471 0.025 1.593 -14.623 1.00 10.00 H new ATOM 0 HD2 TYR A 471 2.799 1.705 -11.390 1.00 10.00 H new ATOM 0 HE1 TYR A 471 0.407 -0.822 -14.868 1.00 10.00 H new ATOM 0 HE2 TYR A 471 3.188 -0.708 -11.641 1.00 10.00 H new ATOM 0 HH TYR A 471 2.690 -2.556 -12.741 1.00 10.00 H new