USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 438 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 434 CYS SG : rot -90:sc= -1.07 USER MOD Set 1.2: A 463 HIS : no HD1:sc= -2.14 K(o=-3.2,f=-1.2) USER MOD Set 2.1: A 443 LYS NZ :NH3+ -130:sc= 0.26 (180deg=0) USER MOD Set 2.2: A 459 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 436 THR OG1 : rot -12:sc= 1.16 USER MOD Set 3.2: A 439 CYS SG : rot -108:sc= -2.22 USER MOD Set 3.3: A 465 HIS : no HD1:sc= -6.32! C(o=-7.4!,f=-4.8!) USER MOD Set 4.1: A 419 GLN : amide:sc= 0.00381 X(o=0.28,f=0.71) USER MOD Set 4.2: A 430 SER OG : rot -75:sc= 0.277 USER MOD Single : A 412 TYR OH : rot 180:sc= 0 USER MOD Single : A 416 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 417 TYR OH : rot 30:sc= -0.812 USER MOD Single : A 420 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 423 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 425 ASN : amide:sc= -6.4! C(o=-6.4!,f=-15!) USER MOD Single : A 427 TYR OH : rot 37:sc= -0.674 USER MOD Single : A 431 TYR OH : rot 130:sc= -1.27 USER MOD Single : A 432 TYR OH : rot 180:sc= 0 USER MOD Single : A 433 LYS NZ :NH3+ -136:sc= 0.606 (180deg=-0.0212) USER MOD Single : A 435 THR OG1 : rot 180:sc= 0 USER MOD Single : A 444 HIS : no HE2:sc= -0.588 K(o=0.26,f=-6.9!) USER MOD Single : A 450 THR OG1 : rot 180:sc= 0.102 USER MOD Single : A 453 LYS NZ :NH3+ -171:sc= 0.777 (180deg=0.603) USER MOD Single : A 457 THR OG1 : rot 180:sc= 0 USER MOD Single : A 458 THR OG1 : rot 180:sc= 0 USER MOD Single : A 462 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 464 ASN : amide:sc= -0.0912 K(o=-0.091,f=-6.7!) USER MOD ----------------------------------------------------------------- ATOM 70 N TYR A 412 6.929 9.817 -8.299 1.00 0.00 N ATOM 71 CA TYR A 412 5.761 9.221 -8.932 1.00 0.00 C ATOM 72 C TYR A 412 4.529 9.383 -8.051 1.00 0.00 C ATOM 73 O TYR A 412 4.572 10.062 -7.024 1.00 0.00 O ATOM 74 CB TYR A 412 6.004 7.735 -9.203 1.00 0.00 C ATOM 75 CG TYR A 412 7.301 7.454 -9.925 1.00 0.00 C ATOM 76 CD1 TYR A 412 7.576 8.043 -11.150 1.00 0.00 C ATOM 77 CD2 TYR A 412 8.248 6.598 -9.379 1.00 0.00 C ATOM 78 CE1 TYR A 412 8.760 7.787 -11.814 1.00 0.00 C ATOM 79 CE2 TYR A 412 9.434 6.336 -10.035 1.00 0.00 C ATOM 80 CZ TYR A 412 9.687 6.933 -11.253 1.00 0.00 C ATOM 81 OH TYR A 412 10.866 6.675 -11.909 1.00 0.00 O ATOM 0 HA TYR A 412 5.589 9.736 -9.877 1.00 0.00 H new ATOM 0 HB2 TYR A 412 6.002 7.197 -8.255 1.00 0.00 H new ATOM 0 HB3 TYR A 412 5.177 7.342 -9.794 1.00 0.00 H new ATOM 0 HD1 TYR A 412 6.853 8.713 -11.592 1.00 0.00 H new ATOM 0 HD2 TYR A 412 8.054 6.129 -8.426 1.00 0.00 H new ATOM 0 HE1 TYR A 412 8.959 8.253 -12.768 1.00 0.00 H new ATOM 0 HE2 TYR A 412 10.160 5.667 -9.597 1.00 0.00 H new ATOM 0 HH TYR A 412 11.407 6.054 -11.377 1.00 0.00 H new ATOM 91 N ARG A 413 3.436 8.748 -8.455 1.00 0.00 N ATOM 92 CA ARG A 413 2.190 8.812 -7.698 1.00 0.00 C ATOM 93 C ARG A 413 1.843 7.440 -7.133 1.00 0.00 C ATOM 94 O ARG A 413 1.563 6.504 -7.881 1.00 0.00 O ATOM 95 CB ARG A 413 1.053 9.322 -8.585 1.00 0.00 C ATOM 96 CG ARG A 413 1.300 10.713 -9.149 1.00 0.00 C ATOM 97 CD ARG A 413 0.952 11.794 -8.137 1.00 0.00 C ATOM 98 NE ARG A 413 1.833 11.757 -6.972 1.00 0.00 N ATOM 99 CZ ARG A 413 1.439 12.021 -5.727 1.00 0.00 C ATOM 100 NH1 ARG A 413 0.183 12.370 -5.477 1.00 0.00 N ATOM 101 NH2 ARG A 413 2.308 11.944 -4.728 1.00 0.00 N ATOM 0 H ARG A 413 3.386 8.183 -9.302 1.00 0.00 H new ATOM 0 HA ARG A 413 2.323 9.507 -6.869 1.00 0.00 H new ATOM 0 HB2 ARG A 413 0.906 8.625 -9.410 1.00 0.00 H new ATOM 0 HB3 ARG A 413 0.129 9.332 -8.007 1.00 0.00 H new ATOM 0 HG2 ARG A 413 2.346 10.808 -9.440 1.00 0.00 H new ATOM 0 HG3 ARG A 413 0.704 10.852 -10.051 1.00 0.00 H new ATOM 0 HD2 ARG A 413 1.021 12.772 -8.613 1.00 0.00 H new ATOM 0 HD3 ARG A 413 -0.082 11.669 -7.814 1.00 0.00 H new ATOM 0 HE ARG A 413 2.812 11.514 -7.121 1.00 0.00 H new ATOM 0 HH11 ARG A 413 -0.489 12.438 -6.241 1.00 0.00 H new ATOM 0 HH12 ARG A 413 -0.110 12.570 -4.521 1.00 0.00 H new ATOM 0 HH21 ARG A 413 3.276 11.683 -4.913 1.00 0.00 H new ATOM 0 HH22 ARG A 413 2.008 12.146 -3.774 1.00 0.00 H new ATOM 115 N TRP A 414 1.878 7.325 -5.810 1.00 0.00 N ATOM 116 CA TRP A 414 1.583 6.061 -5.147 1.00 0.00 C ATOM 117 C TRP A 414 0.301 6.142 -4.328 1.00 0.00 C ATOM 118 O TRP A 414 0.045 7.136 -3.647 1.00 0.00 O ATOM 119 CB TRP A 414 2.756 5.668 -4.252 1.00 0.00 C ATOM 120 CG TRP A 414 4.059 5.671 -4.986 1.00 0.00 C ATOM 121 CD1 TRP A 414 4.866 6.744 -5.225 1.00 0.00 C ATOM 122 CD2 TRP A 414 4.695 4.545 -5.594 1.00 0.00 C ATOM 123 NE1 TRP A 414 5.971 6.354 -5.943 1.00 0.00 N ATOM 124 CE2 TRP A 414 5.888 5.005 -6.181 1.00 0.00 C ATOM 125 CE3 TRP A 414 4.370 3.190 -5.693 1.00 0.00 C ATOM 126 CZ2 TRP A 414 6.755 4.156 -6.863 1.00 0.00 C ATOM 127 CZ3 TRP A 414 5.232 2.348 -6.371 1.00 0.00 C ATOM 128 CH2 TRP A 414 6.413 2.834 -6.948 1.00 0.00 C ATOM 0 H TRP A 414 2.107 8.091 -5.177 1.00 0.00 H new ATOM 0 HA TRP A 414 1.435 5.301 -5.914 1.00 0.00 H new ATOM 0 HB2 TRP A 414 2.815 6.358 -3.410 1.00 0.00 H new ATOM 0 HB3 TRP A 414 2.577 4.675 -3.838 1.00 0.00 H new ATOM 0 HD1 TRP A 414 4.666 7.754 -4.898 1.00 0.00 H new ATOM 0 HE1 TRP A 414 6.728 6.966 -6.248 1.00 0.00 H new ATOM 0 HE3 TRP A 414 3.463 2.808 -5.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 414 7.666 4.528 -7.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 414 4.991 1.299 -6.457 1.00 0.00 H new ATOM 0 HH2 TRP A 414 7.067 2.151 -7.470 1.00 0.00 H new ATOM 139 N ARG A 415 -0.505 5.091 -4.412 1.00 0.00 N ATOM 140 CA ARG A 415 -1.770 5.034 -3.691 1.00 0.00 C ATOM 141 C ARG A 415 -1.730 3.989 -2.582 1.00 0.00 C ATOM 142 O ARG A 415 -1.663 2.788 -2.847 1.00 0.00 O ATOM 143 CB ARG A 415 -2.915 4.722 -4.657 1.00 0.00 C ATOM 144 CG ARG A 415 -4.286 4.712 -3.996 1.00 0.00 C ATOM 145 CD ARG A 415 -5.018 3.401 -4.239 1.00 0.00 C ATOM 146 NE ARG A 415 -5.727 3.400 -5.516 1.00 0.00 N ATOM 147 CZ ARG A 415 -6.744 2.588 -5.802 1.00 0.00 C ATOM 148 NH1 ARG A 415 -7.180 1.715 -4.902 1.00 0.00 N ATOM 149 NH2 ARG A 415 -7.331 2.653 -6.989 1.00 0.00 N ATOM 0 H ARG A 415 -0.304 4.264 -4.974 1.00 0.00 H new ATOM 0 HA ARG A 415 -1.938 6.009 -3.234 1.00 0.00 H new ATOM 0 HB2 ARG A 415 -2.913 5.460 -5.459 1.00 0.00 H new ATOM 0 HB3 ARG A 415 -2.736 3.750 -5.117 1.00 0.00 H new ATOM 0 HG2 ARG A 415 -4.174 4.873 -2.924 1.00 0.00 H new ATOM 0 HG3 ARG A 415 -4.882 5.539 -4.382 1.00 0.00 H new ATOM 0 HD2 ARG A 415 -4.304 2.578 -4.220 1.00 0.00 H new ATOM 0 HD3 ARG A 415 -5.727 3.226 -3.430 1.00 0.00 H new ATOM 0 HE ARG A 415 -5.425 4.061 -6.232 1.00 0.00 H new ATOM 0 HH11 ARG A 415 -6.736 1.663 -3.985 1.00 0.00 H new ATOM 0 HH12 ARG A 415 -7.959 1.096 -5.127 1.00 0.00 H new ATOM 0 HH21 ARG A 415 -7.004 3.325 -7.684 1.00 0.00 H new ATOM 0 HH22 ARG A 415 -8.109 2.031 -7.208 1.00 0.00 H new ATOM 163 N LYS A 416 -1.786 4.456 -1.339 1.00 0.00 N ATOM 164 CA LYS A 416 -1.774 3.568 -0.181 1.00 0.00 C ATOM 165 C LYS A 416 -2.976 2.629 -0.227 1.00 0.00 C ATOM 166 O LYS A 416 -4.062 3.027 -0.648 1.00 0.00 O ATOM 167 CB LYS A 416 -1.800 4.395 1.108 1.00 0.00 C ATOM 168 CG LYS A 416 -1.558 3.586 2.374 1.00 0.00 C ATOM 169 CD LYS A 416 -1.549 4.473 3.608 1.00 0.00 C ATOM 170 CE LYS A 416 -2.953 4.680 4.155 1.00 0.00 C ATOM 171 NZ LYS A 416 -2.989 5.724 5.217 1.00 0.00 N ATOM 0 H LYS A 416 -1.840 5.448 -1.107 1.00 0.00 H new ATOM 0 HA LYS A 416 -0.863 2.970 -0.201 1.00 0.00 H new ATOM 0 HB2 LYS A 416 -1.044 5.177 1.040 1.00 0.00 H new ATOM 0 HB3 LYS A 416 -2.767 4.893 1.188 1.00 0.00 H new ATOM 0 HG2 LYS A 416 -2.334 2.827 2.476 1.00 0.00 H new ATOM 0 HG3 LYS A 416 -0.606 3.061 2.295 1.00 0.00 H new ATOM 0 HD2 LYS A 416 -0.921 4.023 4.376 1.00 0.00 H new ATOM 0 HD3 LYS A 416 -1.108 5.438 3.360 1.00 0.00 H new ATOM 0 HE2 LYS A 416 -3.620 4.966 3.342 1.00 0.00 H new ATOM 0 HE3 LYS A 416 -3.327 3.739 4.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 416 -3.964 5.834 5.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 416 -2.372 5.439 6.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 416 -2.656 6.628 4.826 1.00 0.00 H new ATOM 185 N TYR A 417 -2.788 1.387 0.210 1.00 0.00 N ATOM 186 CA TYR A 417 -3.885 0.427 0.209 1.00 0.00 C ATOM 187 C TYR A 417 -3.626 -0.759 1.134 1.00 0.00 C ATOM 188 O TYR A 417 -2.555 -1.371 1.109 1.00 0.00 O ATOM 189 CB TYR A 417 -4.176 -0.053 -1.222 1.00 0.00 C ATOM 190 CG TYR A 417 -3.323 -1.213 -1.694 1.00 0.00 C ATOM 191 CD1 TYR A 417 -3.550 -2.506 -1.237 1.00 0.00 C ATOM 192 CD2 TYR A 417 -2.296 -1.014 -2.607 1.00 0.00 C ATOM 193 CE1 TYR A 417 -2.777 -3.566 -1.674 1.00 0.00 C ATOM 194 CE2 TYR A 417 -1.519 -2.068 -3.050 1.00 0.00 C ATOM 195 CZ TYR A 417 -1.764 -3.341 -2.581 1.00 0.00 C ATOM 196 OH TYR A 417 -0.993 -4.394 -3.020 1.00 0.00 O ATOM 0 H TYR A 417 -1.902 1.027 0.564 1.00 0.00 H new ATOM 0 HA TYR A 417 -4.763 0.943 0.597 1.00 0.00 H new ATOM 0 HB2 TYR A 417 -5.225 -0.343 -1.286 1.00 0.00 H new ATOM 0 HB3 TYR A 417 -4.035 0.784 -1.906 1.00 0.00 H new ATOM 0 HD1 TYR A 417 -4.344 -2.686 -0.528 1.00 0.00 H new ATOM 0 HD2 TYR A 417 -2.101 -0.018 -2.977 1.00 0.00 H new ATOM 0 HE1 TYR A 417 -2.966 -4.564 -1.307 1.00 0.00 H new ATOM 0 HE2 TYR A 417 -0.724 -1.895 -3.760 1.00 0.00 H new ATOM 0 HH TYR A 417 -1.526 -5.216 -3.010 1.00 0.00 H new ATOM 206 N GLY A 418 -4.638 -1.077 1.937 1.00 0.00 N ATOM 207 CA GLY A 418 -4.553 -2.196 2.855 1.00 0.00 C ATOM 208 C GLY A 418 -3.638 -1.950 4.039 1.00 0.00 C ATOM 209 O GLY A 418 -2.953 -0.928 4.110 1.00 0.00 O ATOM 0 H GLY A 418 -5.524 -0.572 1.966 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -5.552 -2.429 3.223 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -4.201 -3.073 2.312 1.00 0.00 H new ATOM 213 N GLN A 419 -3.630 -2.905 4.965 1.00 0.00 N ATOM 214 CA GLN A 419 -2.801 -2.831 6.161 1.00 0.00 C ATOM 215 C GLN A 419 -2.843 -4.165 6.896 1.00 0.00 C ATOM 216 O GLN A 419 -3.884 -4.566 7.416 1.00 0.00 O ATOM 217 CB GLN A 419 -3.272 -1.707 7.083 1.00 0.00 C ATOM 218 CG GLN A 419 -2.304 -1.415 8.218 1.00 0.00 C ATOM 219 CD GLN A 419 -1.609 -0.075 8.065 1.00 0.00 C ATOM 220 OE1 GLN A 419 -0.567 0.025 7.418 1.00 0.00 O ATOM 221 NE2 GLN A 419 -2.185 0.962 8.661 1.00 0.00 N ATOM 0 H GLN A 419 -4.198 -3.750 4.906 1.00 0.00 H new ATOM 0 HA GLN A 419 -1.776 -2.615 5.861 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -3.416 -0.800 6.495 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -4.243 -1.973 7.502 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -2.844 -1.433 9.165 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -1.555 -2.205 8.263 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -3.049 0.832 9.187 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -1.764 1.888 8.593 1.00 0.00 H new ATOM 230 N LYS A 420 -1.713 -4.858 6.914 1.00 0.00 N ATOM 231 CA LYS A 420 -1.626 -6.160 7.561 1.00 0.00 C ATOM 232 C LYS A 420 -0.438 -6.226 8.515 1.00 0.00 C ATOM 233 O LYS A 420 0.579 -5.574 8.292 1.00 0.00 O ATOM 234 CB LYS A 420 -1.504 -7.250 6.494 1.00 0.00 C ATOM 235 CG LYS A 420 -1.466 -8.661 7.050 1.00 0.00 C ATOM 236 CD LYS A 420 -2.863 -9.192 7.318 1.00 0.00 C ATOM 237 CE LYS A 420 -2.991 -10.651 6.911 1.00 0.00 C ATOM 238 NZ LYS A 420 -4.188 -11.294 7.518 1.00 0.00 N ATOM 0 H LYS A 420 -0.843 -4.540 6.487 1.00 0.00 H new ATOM 0 HA LYS A 420 -2.532 -6.317 8.146 1.00 0.00 H new ATOM 0 HB2 LYS A 420 -2.345 -7.165 5.806 1.00 0.00 H new ATOM 0 HB3 LYS A 420 -0.598 -7.075 5.914 1.00 0.00 H new ATOM 0 HG2 LYS A 420 -0.955 -9.317 6.345 1.00 0.00 H new ATOM 0 HG3 LYS A 420 -0.888 -8.674 7.974 1.00 0.00 H new ATOM 0 HD2 LYS A 420 -3.097 -9.087 8.377 1.00 0.00 H new ATOM 0 HD3 LYS A 420 -3.592 -8.595 6.770 1.00 0.00 H new ATOM 0 HE2 LYS A 420 -3.053 -10.721 5.825 1.00 0.00 H new ATOM 0 HE3 LYS A 420 -2.095 -11.192 7.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 -4.239 -12.288 7.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 -4.117 -11.251 8.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 -5.045 -10.794 7.208 1.00 0.00 H new ATOM 252 N VAL A 421 -0.566 -7.026 9.570 1.00 0.00 N ATOM 253 CA VAL A 421 0.504 -7.184 10.545 1.00 0.00 C ATOM 254 C VAL A 421 1.048 -8.608 10.512 1.00 0.00 C ATOM 255 O VAL A 421 0.300 -9.560 10.290 1.00 0.00 O ATOM 256 CB VAL A 421 0.026 -6.854 11.973 1.00 0.00 C ATOM 257 CG1 VAL A 421 -1.112 -7.776 12.385 1.00 0.00 C ATOM 258 CG2 VAL A 421 1.180 -6.944 12.961 1.00 0.00 C ATOM 0 H VAL A 421 -1.402 -7.575 9.770 1.00 0.00 H new ATOM 0 HA VAL A 421 1.293 -6.483 10.275 1.00 0.00 H new ATOM 0 HB VAL A 421 -0.347 -5.830 11.980 1.00 0.00 H new ATOM 0 HG11 VAL A 421 -1.435 -7.526 13.396 1.00 0.00 H new ATOM 0 HG12 VAL A 421 -1.948 -7.652 11.696 1.00 0.00 H new ATOM 0 HG13 VAL A 421 -0.770 -8.811 12.358 1.00 0.00 H new ATOM 0 HG21 VAL A 421 0.821 -6.707 13.963 1.00 0.00 H new ATOM 0 HG22 VAL A 421 1.589 -7.954 12.951 1.00 0.00 H new ATOM 0 HG23 VAL A 421 1.958 -6.235 12.678 1.00 0.00 H new ATOM 268 N VAL A 422 2.351 -8.750 10.720 1.00 0.00 N ATOM 269 CA VAL A 422 2.980 -10.064 10.698 1.00 0.00 C ATOM 270 C VAL A 422 3.781 -10.337 11.966 1.00 0.00 C ATOM 271 O VAL A 422 4.270 -9.404 12.626 1.00 0.00 O ATOM 272 CB VAL A 422 3.908 -10.221 9.479 1.00 0.00 C ATOM 273 CG1 VAL A 422 3.094 -10.447 8.215 1.00 0.00 C ATOM 274 CG2 VAL A 422 4.809 -9.004 9.334 1.00 0.00 C ATOM 0 H VAL A 422 2.989 -7.976 10.905 1.00 0.00 H new ATOM 0 HA VAL A 422 2.168 -10.788 10.633 1.00 0.00 H new ATOM 0 HB VAL A 422 4.541 -11.095 9.636 1.00 0.00 H new ATOM 0 HG11 VAL A 422 3.766 -10.556 7.364 1.00 0.00 H new ATOM 0 HG12 VAL A 422 2.497 -11.352 8.324 1.00 0.00 H new ATOM 0 HG13 VAL A 422 2.434 -9.595 8.050 1.00 0.00 H new ATOM 0 HG21 VAL A 422 5.458 -9.133 8.468 1.00 0.00 H new ATOM 0 HG22 VAL A 422 4.197 -8.112 9.200 1.00 0.00 H new ATOM 0 HG23 VAL A 422 5.419 -8.894 10.231 1.00 0.00 H new ATOM 284 N LYS A 423 3.912 -11.630 12.285 1.00 0.00 N ATOM 285 CA LYS A 423 4.653 -12.081 13.460 1.00 0.00 C ATOM 286 C LYS A 423 6.150 -12.067 13.179 1.00 0.00 C ATOM 287 O LYS A 423 6.579 -11.684 12.092 1.00 0.00 O ATOM 288 CB LYS A 423 4.207 -13.488 13.861 1.00 0.00 C ATOM 289 CG LYS A 423 2.698 -13.648 13.936 1.00 0.00 C ATOM 290 CD LYS A 423 2.152 -14.385 12.723 1.00 0.00 C ATOM 291 CE LYS A 423 0.715 -13.986 12.428 1.00 0.00 C ATOM 292 NZ LYS A 423 0.255 -14.501 11.109 1.00 0.00 N ATOM 0 H LYS A 423 3.507 -12.388 11.735 1.00 0.00 H new ATOM 0 HA LYS A 423 4.445 -11.399 14.284 1.00 0.00 H new ATOM 0 HB2 LYS A 423 4.605 -14.205 13.143 1.00 0.00 H new ATOM 0 HB3 LYS A 423 4.639 -13.735 14.831 1.00 0.00 H new ATOM 0 HG2 LYS A 423 2.434 -14.193 14.843 1.00 0.00 H new ATOM 0 HG3 LYS A 423 2.230 -12.666 14.007 1.00 0.00 H new ATOM 0 HD2 LYS A 423 2.776 -14.171 11.855 1.00 0.00 H new ATOM 0 HD3 LYS A 423 2.204 -15.460 12.895 1.00 0.00 H new ATOM 0 HE2 LYS A 423 0.064 -14.368 13.214 1.00 0.00 H new ATOM 0 HE3 LYS A 423 0.630 -12.899 12.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -0.729 -14.207 10.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 0.860 -14.117 10.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 0.312 -15.539 11.103 1.00 0.00 H new ATOM 306 N GLY A 424 6.952 -12.458 14.171 1.00 0.00 N ATOM 307 CA GLY A 424 8.397 -12.444 13.999 1.00 0.00 C ATOM 308 C GLY A 424 8.932 -11.027 13.851 1.00 0.00 C ATOM 309 O GLY A 424 10.134 -10.784 13.953 1.00 0.00 O ATOM 0 H GLY A 424 6.630 -12.781 15.083 1.00 0.00 H new ATOM 0 HA2 GLY A 424 8.870 -12.924 14.856 1.00 0.00 H new ATOM 0 HA3 GLY A 424 8.664 -13.028 13.118 1.00 0.00 H new ATOM 313 N ASN A 425 8.012 -10.095 13.620 1.00 0.00 N ATOM 314 CA ASN A 425 8.314 -8.687 13.461 1.00 0.00 C ATOM 315 C ASN A 425 7.027 -7.904 13.704 1.00 0.00 C ATOM 316 O ASN A 425 6.567 -7.168 12.835 1.00 0.00 O ATOM 317 CB ASN A 425 8.856 -8.413 12.055 1.00 0.00 C ATOM 318 CG ASN A 425 9.327 -6.983 11.879 1.00 0.00 C ATOM 319 OD1 ASN A 425 10.483 -6.661 12.157 1.00 0.00 O ATOM 320 ND2 ASN A 425 8.436 -6.118 11.410 1.00 0.00 N ATOM 0 H ASN A 425 7.018 -10.308 13.537 1.00 0.00 H new ATOM 0 HA ASN A 425 9.080 -8.380 14.173 1.00 0.00 H new ATOM 0 HB2 ASN A 425 9.684 -9.092 11.850 1.00 0.00 H new ATOM 0 HB3 ASN A 425 8.079 -8.628 11.322 1.00 0.00 H new ATOM 0 HD21 ASN A 425 8.698 -5.143 11.267 1.00 0.00 H new ATOM 0 HD22 ASN A 425 7.489 -6.429 11.193 1.00 0.00 H new ATOM 327 N PRO A 426 6.422 -8.095 14.897 1.00 0.00 N ATOM 328 CA PRO A 426 5.164 -7.455 15.299 1.00 0.00 C ATOM 329 C PRO A 426 4.979 -6.058 14.731 1.00 0.00 C ATOM 330 O PRO A 426 5.088 -5.066 15.451 1.00 0.00 O ATOM 331 CB PRO A 426 5.313 -7.398 16.812 1.00 0.00 C ATOM 332 CG PRO A 426 6.060 -8.642 17.161 1.00 0.00 C ATOM 333 CD PRO A 426 6.923 -8.983 15.965 1.00 0.00 C ATOM 0 HA PRO A 426 4.292 -8.000 14.936 1.00 0.00 H new ATOM 0 HB2 PRO A 426 5.858 -6.507 17.124 1.00 0.00 H new ATOM 0 HB3 PRO A 426 4.342 -7.367 17.306 1.00 0.00 H new ATOM 0 HG2 PRO A 426 6.673 -8.489 18.049 1.00 0.00 H new ATOM 0 HG3 PRO A 426 5.371 -9.456 17.386 1.00 0.00 H new ATOM 0 HD2 PRO A 426 7.978 -8.804 16.170 1.00 0.00 H new ATOM 0 HD3 PRO A 426 6.826 -10.033 15.689 1.00 0.00 H new ATOM 341 N TYR A 427 4.709 -5.981 13.434 1.00 0.00 N ATOM 342 CA TYR A 427 4.536 -4.680 12.794 1.00 0.00 C ATOM 343 C TYR A 427 3.592 -4.733 11.595 1.00 0.00 C ATOM 344 O TYR A 427 3.630 -5.673 10.799 1.00 0.00 O ATOM 345 CB TYR A 427 5.899 -4.131 12.358 1.00 0.00 C ATOM 346 CG TYR A 427 6.733 -3.586 13.502 1.00 0.00 C ATOM 347 CD1 TYR A 427 7.375 -4.440 14.394 1.00 0.00 C ATOM 348 CD2 TYR A 427 6.875 -2.217 13.691 1.00 0.00 C ATOM 349 CE1 TYR A 427 8.131 -3.945 15.436 1.00 0.00 C ATOM 350 CE2 TYR A 427 7.632 -1.716 14.731 1.00 0.00 C ATOM 351 CZ TYR A 427 8.258 -2.584 15.603 1.00 0.00 C ATOM 352 OH TYR A 427 9.011 -2.089 16.641 1.00 0.00 O ATOM 0 H TYR A 427 4.606 -6.785 12.814 1.00 0.00 H new ATOM 0 HA TYR A 427 4.081 -4.018 13.531 1.00 0.00 H new ATOM 0 HB2 TYR A 427 6.457 -4.923 11.859 1.00 0.00 H new ATOM 0 HB3 TYR A 427 5.744 -3.340 11.624 1.00 0.00 H new ATOM 0 HD1 TYR A 427 7.280 -5.508 14.268 1.00 0.00 H new ATOM 0 HD2 TYR A 427 6.385 -1.534 13.013 1.00 0.00 H new ATOM 0 HE1 TYR A 427 8.622 -4.623 16.119 1.00 0.00 H new ATOM 0 HE2 TYR A 427 7.734 -0.649 14.862 1.00 0.00 H new ATOM 0 HH TYR A 427 9.798 -2.658 16.775 1.00 0.00 H new ATOM 362 N PRO A 428 2.736 -3.703 11.448 1.00 0.00 N ATOM 363 CA PRO A 428 1.787 -3.605 10.342 1.00 0.00 C ATOM 364 C PRO A 428 2.430 -3.019 9.089 1.00 0.00 C ATOM 365 O PRO A 428 3.054 -1.959 9.139 1.00 0.00 O ATOM 366 CB PRO A 428 0.729 -2.657 10.897 1.00 0.00 C ATOM 367 CG PRO A 428 1.485 -1.739 11.795 1.00 0.00 C ATOM 368 CD PRO A 428 2.642 -2.534 12.349 1.00 0.00 C ATOM 0 HA PRO A 428 1.397 -4.575 10.032 1.00 0.00 H new ATOM 0 HB2 PRO A 428 0.229 -2.109 10.098 1.00 0.00 H new ATOM 0 HB3 PRO A 428 -0.043 -3.199 11.443 1.00 0.00 H new ATOM 0 HG2 PRO A 428 1.841 -0.867 11.247 1.00 0.00 H new ATOM 0 HG3 PRO A 428 0.847 -1.371 12.599 1.00 0.00 H new ATOM 0 HD2 PRO A 428 3.564 -1.952 12.346 1.00 0.00 H new ATOM 0 HD3 PRO A 428 2.460 -2.838 13.380 1.00 0.00 H new ATOM 376 N ARG A 429 2.282 -3.715 7.969 1.00 0.00 N ATOM 377 CA ARG A 429 2.857 -3.265 6.706 1.00 0.00 C ATOM 378 C ARG A 429 1.830 -2.505 5.872 1.00 0.00 C ATOM 379 O ARG A 429 0.639 -2.499 6.182 1.00 0.00 O ATOM 380 CB ARG A 429 3.395 -4.458 5.909 1.00 0.00 C ATOM 381 CG ARG A 429 3.882 -5.610 6.778 1.00 0.00 C ATOM 382 CD ARG A 429 2.864 -6.736 6.842 1.00 0.00 C ATOM 383 NE ARG A 429 3.423 -8.000 6.365 1.00 0.00 N ATOM 384 CZ ARG A 429 2.960 -8.679 5.316 1.00 0.00 C ATOM 385 NH1 ARG A 429 1.922 -8.227 4.622 1.00 0.00 N ATOM 386 NH2 ARG A 429 3.540 -9.816 4.957 1.00 0.00 N ATOM 0 H ARG A 429 1.768 -4.594 7.909 1.00 0.00 H new ATOM 0 HA ARG A 429 3.680 -2.588 6.937 1.00 0.00 H new ATOM 0 HB2 ARG A 429 2.611 -4.822 5.245 1.00 0.00 H new ATOM 0 HB3 ARG A 429 4.216 -4.120 5.277 1.00 0.00 H new ATOM 0 HG2 ARG A 429 4.823 -5.992 6.382 1.00 0.00 H new ATOM 0 HG3 ARG A 429 4.085 -5.245 7.785 1.00 0.00 H new ATOM 0 HD2 ARG A 429 2.518 -6.856 7.869 1.00 0.00 H new ATOM 0 HD3 ARG A 429 1.993 -6.474 6.241 1.00 0.00 H new ATOM 0 HE ARG A 429 4.221 -8.388 6.869 1.00 0.00 H new ATOM 0 HH11 ARG A 429 1.471 -7.352 4.890 1.00 0.00 H new ATOM 0 HH12 ARG A 429 1.576 -8.755 3.821 1.00 0.00 H new ATOM 0 HH21 ARG A 429 4.339 -10.169 5.483 1.00 0.00 H new ATOM 0 HH22 ARG A 429 3.187 -10.337 4.154 1.00 0.00 H new ATOM 400 N SER A 430 2.305 -1.871 4.804 1.00 0.00 N ATOM 401 CA SER A 430 1.440 -1.110 3.906 1.00 0.00 C ATOM 402 C SER A 430 1.782 -1.426 2.455 1.00 0.00 C ATOM 403 O SER A 430 2.941 -1.669 2.123 1.00 0.00 O ATOM 404 CB SER A 430 1.588 0.390 4.169 1.00 0.00 C ATOM 405 OG SER A 430 2.080 0.635 5.475 1.00 0.00 O ATOM 0 H SER A 430 3.290 -1.869 4.538 1.00 0.00 H new ATOM 0 HA SER A 430 0.405 -1.396 4.094 1.00 0.00 H new ATOM 0 HB2 SER A 430 2.266 0.826 3.435 1.00 0.00 H new ATOM 0 HB3 SER A 430 0.623 0.881 4.043 1.00 0.00 H new ATOM 0 HG SER A 430 1.365 0.482 6.128 1.00 0.00 H new ATOM 411 N TYR A 431 0.771 -1.437 1.590 1.00 0.00 N ATOM 412 CA TYR A 431 0.987 -1.745 0.182 1.00 0.00 C ATOM 413 C TYR A 431 0.784 -0.512 -0.702 1.00 0.00 C ATOM 414 O TYR A 431 -0.348 -0.122 -0.987 1.00 0.00 O ATOM 415 CB TYR A 431 0.049 -2.869 -0.259 1.00 0.00 C ATOM 416 CG TYR A 431 0.010 -4.045 0.697 1.00 0.00 C ATOM 417 CD1 TYR A 431 -0.742 -3.995 1.867 1.00 0.00 C ATOM 418 CD2 TYR A 431 0.724 -5.207 0.428 1.00 0.00 C ATOM 419 CE1 TYR A 431 -0.780 -5.070 2.739 1.00 0.00 C ATOM 420 CE2 TYR A 431 0.690 -6.283 1.294 1.00 0.00 C ATOM 421 CZ TYR A 431 -0.063 -6.209 2.447 1.00 0.00 C ATOM 422 OH TYR A 431 -0.098 -7.280 3.310 1.00 0.00 O ATOM 0 H TYR A 431 -0.198 -1.238 1.838 1.00 0.00 H new ATOM 0 HA TYR A 431 2.021 -2.071 0.066 1.00 0.00 H new ATOM 0 HB2 TYR A 431 -0.958 -2.467 -0.367 1.00 0.00 H new ATOM 0 HB3 TYR A 431 0.358 -3.223 -1.243 1.00 0.00 H new ATOM 0 HD1 TYR A 431 -1.305 -3.103 2.099 1.00 0.00 H new ATOM 0 HD2 TYR A 431 1.315 -5.270 -0.473 1.00 0.00 H new ATOM 0 HE1 TYR A 431 -1.369 -5.016 3.643 1.00 0.00 H new ATOM 0 HE2 TYR A 431 1.251 -7.178 1.069 1.00 0.00 H new ATOM 0 HH TYR A 431 -0.300 -8.098 2.809 1.00 0.00 H new ATOM 432 N TYR A 432 1.891 0.095 -1.131 1.00 0.00 N ATOM 433 CA TYR A 432 1.839 1.282 -1.986 1.00 0.00 C ATOM 434 C TYR A 432 2.062 0.909 -3.447 1.00 0.00 C ATOM 435 O TYR A 432 3.096 0.342 -3.798 1.00 0.00 O ATOM 436 CB TYR A 432 2.911 2.289 -1.565 1.00 0.00 C ATOM 437 CG TYR A 432 2.565 3.082 -0.327 1.00 0.00 C ATOM 438 CD1 TYR A 432 2.902 2.618 0.938 1.00 0.00 C ATOM 439 CD2 TYR A 432 1.907 4.299 -0.427 1.00 0.00 C ATOM 440 CE1 TYR A 432 2.589 3.345 2.071 1.00 0.00 C ATOM 441 CE2 TYR A 432 1.591 5.033 0.700 1.00 0.00 C ATOM 442 CZ TYR A 432 1.933 4.552 1.947 1.00 0.00 C ATOM 443 OH TYR A 432 1.621 5.278 3.072 1.00 0.00 O ATOM 0 H TYR A 432 2.835 -0.216 -0.901 1.00 0.00 H new ATOM 0 HA TYR A 432 0.850 1.727 -1.875 1.00 0.00 H new ATOM 0 HB2 TYR A 432 3.846 1.756 -1.392 1.00 0.00 H new ATOM 0 HB3 TYR A 432 3.087 2.981 -2.389 1.00 0.00 H new ATOM 0 HD1 TYR A 432 3.417 1.674 1.038 1.00 0.00 H new ATOM 0 HD2 TYR A 432 1.637 4.679 -1.401 1.00 0.00 H new ATOM 0 HE1 TYR A 432 2.857 2.970 3.048 1.00 0.00 H new ATOM 0 HE2 TYR A 432 1.079 5.979 0.605 1.00 0.00 H new ATOM 0 HH TYR A 432 1.161 6.104 2.812 1.00 0.00 H new ATOM 453 N LYS A 433 1.096 1.233 -4.304 1.00 0.00 N ATOM 454 CA LYS A 433 1.218 0.925 -5.726 1.00 0.00 C ATOM 455 C LYS A 433 1.219 2.196 -6.572 1.00 0.00 C ATOM 456 O LYS A 433 0.317 3.028 -6.469 1.00 0.00 O ATOM 457 CB LYS A 433 0.098 -0.021 -6.173 1.00 0.00 C ATOM 458 CG LYS A 433 -1.278 0.622 -6.239 1.00 0.00 C ATOM 459 CD LYS A 433 -2.281 -0.286 -6.933 1.00 0.00 C ATOM 460 CE LYS A 433 -3.202 -0.972 -5.935 1.00 0.00 C ATOM 461 NZ LYS A 433 -3.000 -2.448 -5.918 1.00 0.00 N ATOM 0 H LYS A 433 0.230 1.703 -4.042 1.00 0.00 H new ATOM 0 HA LYS A 433 2.174 0.424 -5.877 1.00 0.00 H new ATOM 0 HB2 LYS A 433 0.347 -0.420 -7.156 1.00 0.00 H new ATOM 0 HB3 LYS A 433 0.058 -0.867 -5.487 1.00 0.00 H new ATOM 0 HG2 LYS A 433 -1.625 0.847 -5.231 1.00 0.00 H new ATOM 0 HG3 LYS A 433 -1.213 1.570 -6.773 1.00 0.00 H new ATOM 0 HD2 LYS A 433 -2.876 0.298 -7.635 1.00 0.00 H new ATOM 0 HD3 LYS A 433 -1.749 -1.039 -7.515 1.00 0.00 H new ATOM 0 HE2 LYS A 433 -3.022 -0.569 -4.938 1.00 0.00 H new ATOM 0 HE3 LYS A 433 -4.239 -0.750 -6.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 -3.924 -2.925 -5.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 -2.475 -2.736 -6.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 -2.460 -2.715 -5.070 1.00 0.00 H new ATOM 475 N CYS A 434 2.244 2.338 -7.407 1.00 0.00 N ATOM 476 CA CYS A 434 2.379 3.501 -8.278 1.00 0.00 C ATOM 477 C CYS A 434 1.366 3.444 -9.416 1.00 0.00 C ATOM 478 O CYS A 434 1.224 2.421 -10.086 1.00 0.00 O ATOM 479 CB CYS A 434 3.807 3.576 -8.840 1.00 0.00 C ATOM 480 SG CYS A 434 3.988 4.579 -10.343 1.00 0.00 S ATOM 0 H CYS A 434 2.998 1.657 -7.499 1.00 0.00 H new ATOM 0 HA CYS A 434 2.182 4.397 -7.690 1.00 0.00 H new ATOM 0 HB2 CYS A 434 4.464 3.981 -8.070 1.00 0.00 H new ATOM 0 HB3 CYS A 434 4.151 2.564 -9.053 1.00 0.00 H new ATOM 0 HG CYS A 434 3.814 3.828 -11.390 1.00 0.00 H new ATOM 485 N THR A 435 0.679 4.556 -9.633 1.00 0.00 N ATOM 486 CA THR A 435 -0.308 4.649 -10.695 1.00 0.00 C ATOM 487 C THR A 435 0.222 5.514 -11.829 1.00 0.00 C ATOM 488 O THR A 435 1.080 6.371 -11.618 1.00 0.00 O ATOM 489 CB THR A 435 -1.633 5.244 -10.185 1.00 0.00 C ATOM 490 OG1 THR A 435 -1.375 6.392 -9.368 1.00 0.00 O ATOM 491 CG2 THR A 435 -2.415 4.214 -9.385 1.00 0.00 C ATOM 0 H THR A 435 0.789 5.409 -9.084 1.00 0.00 H new ATOM 0 HA THR A 435 -0.498 3.638 -11.055 1.00 0.00 H new ATOM 0 HB THR A 435 -2.228 5.540 -11.049 1.00 0.00 H new ATOM 0 HG1 THR A 435 -2.224 6.764 -9.050 1.00 0.00 H new ATOM 0 HG21 THR A 435 -3.347 4.657 -9.035 1.00 0.00 H new ATOM 0 HG22 THR A 435 -2.637 3.354 -10.017 1.00 0.00 H new ATOM 0 HG23 THR A 435 -1.822 3.892 -8.529 1.00 0.00 H new ATOM 499 N THR A 436 -0.308 5.305 -13.026 1.00 0.00 N ATOM 500 CA THR A 436 0.086 6.071 -14.196 1.00 0.00 C ATOM 501 C THR A 436 -0.887 5.753 -15.328 1.00 0.00 C ATOM 502 O THR A 436 -1.354 4.620 -15.432 1.00 0.00 O ATOM 503 CB THR A 436 1.521 5.727 -14.634 1.00 0.00 C ATOM 504 OG1 THR A 436 2.448 6.046 -13.589 1.00 0.00 O ATOM 505 CG2 THR A 436 1.912 6.471 -15.903 1.00 0.00 C ATOM 0 H THR A 436 -1.022 4.600 -13.211 1.00 0.00 H new ATOM 0 HA THR A 436 0.060 7.133 -13.951 1.00 0.00 H new ATOM 0 HB THR A 436 1.554 4.657 -14.840 1.00 0.00 H new ATOM 0 HG1 THR A 436 2.000 6.593 -12.910 1.00 0.00 H new ATOM 0 HG21 THR A 436 2.931 6.204 -16.182 1.00 0.00 H new ATOM 0 HG22 THR A 436 1.231 6.198 -16.709 1.00 0.00 H new ATOM 0 HG23 THR A 436 1.854 7.545 -15.727 1.00 0.00 H new ATOM 513 N PRO A 437 -1.221 6.733 -16.187 1.00 0.00 N ATOM 514 CA PRO A 437 -2.149 6.522 -17.295 1.00 0.00 C ATOM 515 C PRO A 437 -1.987 5.141 -17.924 1.00 0.00 C ATOM 516 O PRO A 437 -2.951 4.386 -18.043 1.00 0.00 O ATOM 517 CB PRO A 437 -1.797 7.650 -18.286 1.00 0.00 C ATOM 518 CG PRO A 437 -0.705 8.450 -17.632 1.00 0.00 C ATOM 519 CD PRO A 437 -0.740 8.113 -16.167 1.00 0.00 C ATOM 0 HA PRO A 437 -3.191 6.553 -16.977 1.00 0.00 H new ATOM 0 HB2 PRO A 437 -1.464 7.241 -19.240 1.00 0.00 H new ATOM 0 HB3 PRO A 437 -2.667 8.273 -18.493 1.00 0.00 H new ATOM 0 HG2 PRO A 437 0.266 8.204 -18.063 1.00 0.00 H new ATOM 0 HG3 PRO A 437 -0.861 9.517 -17.787 1.00 0.00 H new ATOM 0 HD2 PRO A 437 0.244 8.196 -15.705 1.00 0.00 H new ATOM 0 HD3 PRO A 437 -1.409 8.771 -15.612 1.00 0.00 H new ATOM 527 N GLY A 438 -0.764 4.820 -18.322 1.00 0.00 N ATOM 528 CA GLY A 438 -0.501 3.530 -18.933 1.00 0.00 C ATOM 529 C GLY A 438 0.481 2.682 -18.141 1.00 0.00 C ATOM 530 O GLY A 438 1.183 1.850 -18.717 1.00 0.00 O ATOM 0 H GLY A 438 0.050 5.428 -18.234 1.00 0.00 H new ATOM 0 HA2 GLY A 438 -1.440 2.986 -19.037 1.00 0.00 H new ATOM 0 HA3 GLY A 438 -0.109 3.684 -19.938 1.00 0.00 H new ATOM 534 N CYS A 439 0.545 2.889 -16.826 1.00 0.00 N ATOM 535 CA CYS A 439 1.469 2.122 -15.995 1.00 0.00 C ATOM 536 C CYS A 439 0.891 1.786 -14.619 1.00 0.00 C ATOM 537 O CYS A 439 -0.024 2.451 -14.119 1.00 0.00 O ATOM 538 CB CYS A 439 2.801 2.874 -15.855 1.00 0.00 C ATOM 539 SG CYS A 439 3.461 2.997 -14.165 1.00 0.00 S ATOM 0 H CYS A 439 -0.022 3.570 -16.321 1.00 0.00 H new ATOM 0 HA CYS A 439 1.640 1.171 -16.499 1.00 0.00 H new ATOM 0 HB2 CYS A 439 3.544 2.380 -16.481 1.00 0.00 H new ATOM 0 HB3 CYS A 439 2.672 3.882 -16.249 1.00 0.00 H new ATOM 0 HG CYS A 439 3.337 4.219 -13.738 1.00 0.00 H new ATOM 544 N GLY A 440 1.468 0.745 -14.023 1.00 0.00 N ATOM 545 CA GLY A 440 1.061 0.287 -12.708 1.00 0.00 C ATOM 546 C GLY A 440 2.143 -0.543 -12.038 1.00 0.00 C ATOM 547 O GLY A 440 2.410 -1.673 -12.447 1.00 0.00 O ATOM 0 H GLY A 440 2.225 0.202 -14.439 1.00 0.00 H new ATOM 0 HA2 GLY A 440 0.823 1.147 -12.082 1.00 0.00 H new ATOM 0 HA3 GLY A 440 0.150 -0.306 -12.796 1.00 0.00 H new ATOM 551 N VAL A 441 2.767 0.018 -11.005 1.00 0.00 N ATOM 552 CA VAL A 441 3.825 -0.674 -10.273 1.00 0.00 C ATOM 553 C VAL A 441 3.485 -0.734 -8.789 1.00 0.00 C ATOM 554 O VAL A 441 2.674 0.050 -8.304 1.00 0.00 O ATOM 555 CB VAL A 441 5.189 0.030 -10.474 1.00 0.00 C ATOM 556 CG1 VAL A 441 6.199 -0.389 -9.411 1.00 0.00 C ATOM 557 CG2 VAL A 441 5.732 -0.262 -11.861 1.00 0.00 C ATOM 0 H VAL A 441 2.557 0.953 -10.655 1.00 0.00 H new ATOM 0 HA VAL A 441 3.901 -1.688 -10.664 1.00 0.00 H new ATOM 0 HB VAL A 441 5.027 1.103 -10.373 1.00 0.00 H new ATOM 0 HG11 VAL A 441 7.144 0.125 -9.584 1.00 0.00 H new ATOM 0 HG12 VAL A 441 5.819 -0.126 -8.424 1.00 0.00 H new ATOM 0 HG13 VAL A 441 6.357 -1.466 -9.464 1.00 0.00 H new ATOM 0 HG21 VAL A 441 6.691 0.239 -11.989 1.00 0.00 H new ATOM 0 HG22 VAL A 441 5.865 -1.337 -11.981 1.00 0.00 H new ATOM 0 HG23 VAL A 441 5.030 0.102 -12.611 1.00 0.00 H new ATOM 567 N ARG A 442 4.092 -1.673 -8.070 1.00 0.00 N ATOM 568 CA ARG A 442 3.822 -1.820 -6.645 1.00 0.00 C ATOM 569 C ARG A 442 5.021 -1.395 -5.797 1.00 0.00 C ATOM 570 O ARG A 442 6.074 -1.030 -6.320 1.00 0.00 O ATOM 571 CB ARG A 442 3.450 -3.270 -6.327 1.00 0.00 C ATOM 572 CG ARG A 442 1.955 -3.490 -6.163 1.00 0.00 C ATOM 573 CD ARG A 442 1.623 -4.069 -4.797 1.00 0.00 C ATOM 574 NE ARG A 442 1.811 -5.518 -4.753 1.00 0.00 N ATOM 575 CZ ARG A 442 0.858 -6.403 -5.043 1.00 0.00 C ATOM 576 NH1 ARG A 442 -0.350 -5.995 -5.415 1.00 0.00 N ATOM 577 NH2 ARG A 442 1.117 -7.701 -4.964 1.00 0.00 N ATOM 0 H ARG A 442 4.768 -2.338 -8.447 1.00 0.00 H new ATOM 0 HA ARG A 442 2.986 -1.166 -6.398 1.00 0.00 H new ATOM 0 HB2 ARG A 442 3.819 -3.915 -7.125 1.00 0.00 H new ATOM 0 HB3 ARG A 442 3.957 -3.574 -5.411 1.00 0.00 H new ATOM 0 HG2 ARG A 442 1.430 -2.544 -6.295 1.00 0.00 H new ATOM 0 HG3 ARG A 442 1.598 -4.164 -6.942 1.00 0.00 H new ATOM 0 HD2 ARG A 442 2.253 -3.599 -4.042 1.00 0.00 H new ATOM 0 HD3 ARG A 442 0.590 -3.830 -4.544 1.00 0.00 H new ATOM 0 HE ARG A 442 2.728 -5.874 -4.484 1.00 0.00 H new ATOM 0 HH11 ARG A 442 -0.554 -4.998 -5.480 1.00 0.00 H new ATOM 0 HH12 ARG A 442 -1.074 -6.679 -5.635 1.00 0.00 H new ATOM 0 HH21 ARG A 442 2.044 -8.020 -4.682 1.00 0.00 H new ATOM 0 HH22 ARG A 442 0.389 -8.381 -5.185 1.00 0.00 H new ATOM 591 N LYS A 443 4.840 -1.453 -4.481 1.00 0.00 N ATOM 592 CA LYS A 443 5.885 -1.089 -3.531 1.00 0.00 C ATOM 593 C LYS A 443 5.471 -1.508 -2.123 1.00 0.00 C ATOM 594 O LYS A 443 4.319 -1.330 -1.731 1.00 0.00 O ATOM 595 CB LYS A 443 6.156 0.421 -3.585 1.00 0.00 C ATOM 596 CG LYS A 443 6.916 0.960 -2.381 1.00 0.00 C ATOM 597 CD LYS A 443 7.491 2.338 -2.657 1.00 0.00 C ATOM 598 CE LYS A 443 6.400 3.395 -2.739 1.00 0.00 C ATOM 599 NZ LYS A 443 6.962 4.765 -2.897 1.00 0.00 N ATOM 0 H LYS A 443 3.968 -1.753 -4.045 1.00 0.00 H new ATOM 0 HA LYS A 443 6.804 -1.610 -3.798 1.00 0.00 H new ATOM 0 HB2 LYS A 443 6.722 0.645 -4.489 1.00 0.00 H new ATOM 0 HB3 LYS A 443 5.205 0.947 -3.666 1.00 0.00 H new ATOM 0 HG2 LYS A 443 6.249 1.009 -1.520 1.00 0.00 H new ATOM 0 HG3 LYS A 443 7.722 0.274 -2.121 1.00 0.00 H new ATOM 0 HD2 LYS A 443 8.196 2.603 -1.869 1.00 0.00 H new ATOM 0 HD3 LYS A 443 8.050 2.319 -3.592 1.00 0.00 H new ATOM 0 HE2 LYS A 443 5.743 3.173 -3.580 1.00 0.00 H new ATOM 0 HE3 LYS A 443 5.788 3.356 -1.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 6.529 5.401 -2.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 7.991 4.737 -2.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 6.759 5.115 -3.855 1.00 0.00 H new ATOM 613 N HIS A 444 6.406 -2.081 -1.374 1.00 0.00 N ATOM 614 CA HIS A 444 6.113 -2.539 -0.020 1.00 0.00 C ATOM 615 C HIS A 444 6.845 -1.699 1.021 1.00 0.00 C ATOM 616 O HIS A 444 8.004 -1.328 0.836 1.00 0.00 O ATOM 617 CB HIS A 444 6.502 -4.012 0.131 1.00 0.00 C ATOM 618 CG HIS A 444 5.338 -4.913 0.401 1.00 0.00 C ATOM 619 ND1 HIS A 444 4.782 -5.732 -0.559 1.00 0.00 N ATOM 620 CD2 HIS A 444 4.623 -5.124 1.532 1.00 0.00 C ATOM 621 CE1 HIS A 444 3.777 -6.406 -0.029 1.00 0.00 C ATOM 622 NE2 HIS A 444 3.660 -6.056 1.239 1.00 0.00 N ATOM 0 H HIS A 444 7.367 -2.239 -1.678 1.00 0.00 H new ATOM 0 HA HIS A 444 5.042 -2.427 0.148 1.00 0.00 H new ATOM 0 HB2 HIS A 444 7.003 -4.342 -0.779 1.00 0.00 H new ATOM 0 HB3 HIS A 444 7.222 -4.108 0.944 1.00 0.00 H new ATOM 0 HD1 HIS A 444 5.097 -5.806 -1.526 1.00 0.00 H new ATOM 0 HD2 HIS A 444 4.782 -4.647 2.488 1.00 0.00 H new ATOM 0 HE1 HIS A 444 3.156 -7.123 -0.546 1.00 0.00 H new ATOM 631 N VAL A 445 6.157 -1.414 2.124 1.00 0.00 N ATOM 632 CA VAL A 445 6.733 -0.630 3.208 1.00 0.00 C ATOM 633 C VAL A 445 6.566 -1.357 4.537 1.00 0.00 C ATOM 634 O VAL A 445 5.447 -1.671 4.942 1.00 0.00 O ATOM 635 CB VAL A 445 6.067 0.757 3.306 1.00 0.00 C ATOM 636 CG1 VAL A 445 6.819 1.648 4.281 1.00 0.00 C ATOM 637 CG2 VAL A 445 5.986 1.407 1.933 1.00 0.00 C ATOM 0 H VAL A 445 5.197 -1.716 2.289 1.00 0.00 H new ATOM 0 HA VAL A 445 7.793 -0.499 2.991 1.00 0.00 H new ATOM 0 HB VAL A 445 5.053 0.625 3.683 1.00 0.00 H new ATOM 0 HG11 VAL A 445 6.332 2.622 4.334 1.00 0.00 H new ATOM 0 HG12 VAL A 445 6.819 1.188 5.269 1.00 0.00 H new ATOM 0 HG13 VAL A 445 7.846 1.775 3.940 1.00 0.00 H new ATOM 0 HG21 VAL A 445 5.513 2.385 2.021 1.00 0.00 H new ATOM 0 HG22 VAL A 445 6.990 1.525 1.526 1.00 0.00 H new ATOM 0 HG23 VAL A 445 5.396 0.778 1.267 1.00 0.00 H new ATOM 647 N GLU A 446 7.679 -1.643 5.204 1.00 0.00 N ATOM 648 CA GLU A 446 7.640 -2.358 6.476 1.00 0.00 C ATOM 649 C GLU A 446 8.567 -1.723 7.508 1.00 0.00 C ATOM 650 O GLU A 446 9.562 -1.089 7.159 1.00 0.00 O ATOM 651 CB GLU A 446 8.045 -3.818 6.261 1.00 0.00 C ATOM 652 CG GLU A 446 6.868 -4.762 6.117 1.00 0.00 C ATOM 653 CD GLU A 446 6.498 -5.017 4.667 1.00 0.00 C ATOM 654 OE1 GLU A 446 6.846 -4.178 3.812 1.00 0.00 O ATOM 655 OE2 GLU A 446 5.860 -6.054 4.391 1.00 0.00 O ATOM 0 H GLU A 446 8.616 -1.392 4.887 1.00 0.00 H new ATOM 0 HA GLU A 446 6.620 -2.304 6.857 1.00 0.00 H new ATOM 0 HB2 GLU A 446 8.665 -3.886 5.367 1.00 0.00 H new ATOM 0 HB3 GLU A 446 8.659 -4.143 7.101 1.00 0.00 H new ATOM 0 HG2 GLU A 446 7.106 -5.710 6.599 1.00 0.00 H new ATOM 0 HG3 GLU A 446 6.007 -4.346 6.640 1.00 0.00 H new ATOM 662 N ARG A 447 8.235 -1.911 8.782 1.00 0.00 N ATOM 663 CA ARG A 447 9.039 -1.372 9.870 1.00 0.00 C ATOM 664 C ARG A 447 9.999 -2.433 10.396 1.00 0.00 C ATOM 665 O ARG A 447 9.832 -3.622 10.126 1.00 0.00 O ATOM 666 CB ARG A 447 8.137 -0.874 11.002 1.00 0.00 C ATOM 667 CG ARG A 447 7.308 0.344 10.629 1.00 0.00 C ATOM 668 CD ARG A 447 6.137 -0.032 9.735 1.00 0.00 C ATOM 669 NE ARG A 447 5.237 1.094 9.507 1.00 0.00 N ATOM 670 CZ ARG A 447 4.367 1.156 8.502 1.00 0.00 C ATOM 671 NH1 ARG A 447 4.272 0.157 7.633 1.00 0.00 N ATOM 672 NH2 ARG A 447 3.587 2.220 8.366 1.00 0.00 N ATOM 0 H ARG A 447 7.413 -2.434 9.085 1.00 0.00 H new ATOM 0 HA ARG A 447 9.619 -0.532 9.487 1.00 0.00 H new ATOM 0 HB2 ARG A 447 7.468 -1.680 11.303 1.00 0.00 H new ATOM 0 HB3 ARG A 447 8.754 -0.632 11.867 1.00 0.00 H new ATOM 0 HG2 ARG A 447 6.937 0.824 11.534 1.00 0.00 H new ATOM 0 HG3 ARG A 447 7.938 1.072 10.118 1.00 0.00 H new ATOM 0 HD2 ARG A 447 6.513 -0.394 8.778 1.00 0.00 H new ATOM 0 HD3 ARG A 447 5.582 -0.852 10.191 1.00 0.00 H new ATOM 0 HE ARG A 447 5.277 1.880 10.156 1.00 0.00 H new ATOM 0 HH11 ARG A 447 4.868 -0.665 7.733 1.00 0.00 H new ATOM 0 HH12 ARG A 447 3.603 0.211 6.865 1.00 0.00 H new ATOM 0 HH21 ARG A 447 3.654 2.990 9.031 1.00 0.00 H new ATOM 0 HH22 ARG A 447 2.920 2.268 7.596 1.00 0.00 H new ATOM 686 N ALA A 448 11.006 -2.000 11.147 1.00 0.00 N ATOM 687 CA ALA A 448 11.991 -2.920 11.704 1.00 0.00 C ATOM 688 C ALA A 448 11.600 -3.356 13.112 1.00 0.00 C ATOM 689 O ALA A 448 11.299 -2.526 13.971 1.00 0.00 O ATOM 690 CB ALA A 448 13.367 -2.277 11.706 1.00 0.00 C ATOM 0 H ALA A 448 11.161 -1.020 11.384 1.00 0.00 H new ATOM 0 HA ALA A 448 12.021 -3.810 11.075 1.00 0.00 H new ATOM 0 HB1 ALA A 448 14.094 -2.974 12.124 1.00 0.00 H new ATOM 0 HB2 ALA A 448 13.652 -2.025 10.685 1.00 0.00 H new ATOM 0 HB3 ALA A 448 13.344 -1.370 12.311 1.00 0.00 H new ATOM 696 N ALA A 449 11.594 -4.669 13.338 1.00 0.00 N ATOM 697 CA ALA A 449 11.231 -5.232 14.635 1.00 0.00 C ATOM 698 C ALA A 449 11.947 -4.520 15.780 1.00 0.00 C ATOM 699 O ALA A 449 11.314 -4.082 16.741 1.00 0.00 O ATOM 700 CB ALA A 449 11.534 -6.725 14.667 1.00 0.00 C ATOM 0 H ALA A 449 11.838 -5.365 12.634 1.00 0.00 H new ATOM 0 HA ALA A 449 10.160 -5.083 14.772 1.00 0.00 H new ATOM 0 HB1 ALA A 449 11.258 -7.131 15.640 1.00 0.00 H new ATOM 0 HB2 ALA A 449 10.962 -7.229 13.888 1.00 0.00 H new ATOM 0 HB3 ALA A 449 12.599 -6.884 14.496 1.00 0.00 H new ATOM 706 N THR A 450 13.268 -4.417 15.680 1.00 0.00 N ATOM 707 CA THR A 450 14.068 -3.770 16.716 1.00 0.00 C ATOM 708 C THR A 450 14.168 -2.259 16.506 1.00 0.00 C ATOM 709 O THR A 450 15.098 -1.622 17.002 1.00 0.00 O ATOM 710 CB THR A 450 15.490 -4.362 16.769 1.00 0.00 C ATOM 711 OG1 THR A 450 15.807 -4.987 15.519 1.00 0.00 O ATOM 712 CG2 THR A 450 15.612 -5.381 17.893 1.00 0.00 C ATOM 0 H THR A 450 13.809 -4.773 14.892 1.00 0.00 H new ATOM 0 HA THR A 450 13.557 -3.957 17.660 1.00 0.00 H new ATOM 0 HB THR A 450 16.190 -3.549 16.959 1.00 0.00 H new ATOM 0 HG1 THR A 450 16.713 -5.359 15.560 1.00 0.00 H new ATOM 0 HG21 THR A 450 16.624 -5.785 17.910 1.00 0.00 H new ATOM 0 HG22 THR A 450 15.398 -4.898 18.847 1.00 0.00 H new ATOM 0 HG23 THR A 450 14.901 -6.191 17.729 1.00 0.00 H new ATOM 720 N ASP A 451 13.212 -1.684 15.781 1.00 0.00 N ATOM 721 CA ASP A 451 13.217 -0.247 15.529 1.00 0.00 C ATOM 722 C ASP A 451 11.979 0.184 14.743 1.00 0.00 C ATOM 723 O ASP A 451 11.924 0.026 13.524 1.00 0.00 O ATOM 724 CB ASP A 451 14.477 0.155 14.762 1.00 0.00 C ATOM 725 CG ASP A 451 14.709 1.654 14.775 1.00 0.00 C ATOM 726 OD1 ASP A 451 14.014 2.355 15.541 1.00 0.00 O ATOM 727 OD2 ASP A 451 15.584 2.126 14.021 1.00 0.00 O ATOM 0 H ASP A 451 12.430 -2.187 15.361 1.00 0.00 H new ATOM 0 HA ASP A 451 13.205 0.257 16.495 1.00 0.00 H new ATOM 0 HB2 ASP A 451 15.340 -0.347 15.198 1.00 0.00 H new ATOM 0 HB3 ASP A 451 14.396 -0.188 13.731 1.00 0.00 H new ATOM 732 N PRO A 452 10.966 0.745 15.432 1.00 0.00 N ATOM 733 CA PRO A 452 9.732 1.206 14.790 1.00 0.00 C ATOM 734 C PRO A 452 9.961 2.441 13.917 1.00 0.00 C ATOM 735 O PRO A 452 9.064 2.872 13.192 1.00 0.00 O ATOM 736 CB PRO A 452 8.809 1.557 15.968 1.00 0.00 C ATOM 737 CG PRO A 452 9.475 1.003 17.184 1.00 0.00 C ATOM 738 CD PRO A 452 10.943 0.979 16.881 1.00 0.00 C ATOM 0 HA PRO A 452 9.321 0.448 14.124 1.00 0.00 H new ATOM 0 HB2 PRO A 452 8.675 2.635 16.052 1.00 0.00 H new ATOM 0 HB3 PRO A 452 7.819 1.122 15.832 1.00 0.00 H new ATOM 0 HG2 PRO A 452 9.268 1.621 18.057 1.00 0.00 H new ATOM 0 HG3 PRO A 452 9.107 0.002 17.408 1.00 0.00 H new ATOM 0 HD2 PRO A 452 11.428 1.918 17.148 1.00 0.00 H new ATOM 0 HD3 PRO A 452 11.457 0.188 17.428 1.00 0.00 H new ATOM 746 N LYS A 453 11.164 3.005 13.994 1.00 0.00 N ATOM 747 CA LYS A 453 11.506 4.189 13.215 1.00 0.00 C ATOM 748 C LYS A 453 12.168 3.811 11.891 1.00 0.00 C ATOM 749 O LYS A 453 12.233 4.624 10.969 1.00 0.00 O ATOM 750 CB LYS A 453 12.432 5.101 14.019 1.00 0.00 C ATOM 751 CG LYS A 453 12.035 5.235 15.480 1.00 0.00 C ATOM 752 CD LYS A 453 12.743 6.404 16.145 1.00 0.00 C ATOM 753 CE LYS A 453 14.253 6.243 16.092 1.00 0.00 C ATOM 754 NZ LYS A 453 14.683 4.892 16.543 1.00 0.00 N ATOM 0 H LYS A 453 11.918 2.660 14.589 1.00 0.00 H new ATOM 0 HA LYS A 453 10.581 4.721 12.992 1.00 0.00 H new ATOM 0 HB2 LYS A 453 13.449 4.714 13.962 1.00 0.00 H new ATOM 0 HB3 LYS A 453 12.441 6.090 13.561 1.00 0.00 H new ATOM 0 HG2 LYS A 453 10.956 5.372 15.554 1.00 0.00 H new ATOM 0 HG3 LYS A 453 12.276 4.313 16.010 1.00 0.00 H new ATOM 0 HD2 LYS A 453 12.457 7.333 15.651 1.00 0.00 H new ATOM 0 HD3 LYS A 453 12.421 6.483 17.183 1.00 0.00 H new ATOM 0 HE2 LYS A 453 14.601 6.413 15.073 1.00 0.00 H new ATOM 0 HE3 LYS A 453 14.721 7.001 16.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 15.718 4.871 16.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 14.246 4.678 17.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 14.385 4.182 15.844 1.00 0.00 H new ATOM 768 N ALA A 454 12.658 2.577 11.799 1.00 0.00 N ATOM 769 CA ALA A 454 13.307 2.104 10.584 1.00 0.00 C ATOM 770 C ALA A 454 12.291 1.476 9.639 1.00 0.00 C ATOM 771 O ALA A 454 11.538 0.585 10.028 1.00 0.00 O ATOM 772 CB ALA A 454 14.402 1.104 10.922 1.00 0.00 C ATOM 0 H ALA A 454 12.617 1.889 12.551 1.00 0.00 H new ATOM 0 HA ALA A 454 13.758 2.960 10.083 1.00 0.00 H new ATOM 0 HB1 ALA A 454 14.877 0.760 10.003 1.00 0.00 H new ATOM 0 HB2 ALA A 454 15.147 1.581 11.559 1.00 0.00 H new ATOM 0 HB3 ALA A 454 13.968 0.253 11.447 1.00 0.00 H new ATOM 778 N VAL A 455 12.266 1.951 8.398 1.00 0.00 N ATOM 779 CA VAL A 455 11.331 1.437 7.407 1.00 0.00 C ATOM 780 C VAL A 455 12.055 0.822 6.213 1.00 0.00 C ATOM 781 O VAL A 455 13.119 1.289 5.807 1.00 0.00 O ATOM 782 CB VAL A 455 10.388 2.547 6.903 1.00 0.00 C ATOM 783 CG1 VAL A 455 9.307 1.964 6.004 1.00 0.00 C ATOM 784 CG2 VAL A 455 9.771 3.300 8.074 1.00 0.00 C ATOM 0 H VAL A 455 12.881 2.689 8.056 1.00 0.00 H new ATOM 0 HA VAL A 455 10.747 0.662 7.903 1.00 0.00 H new ATOM 0 HB VAL A 455 10.973 3.255 6.316 1.00 0.00 H new ATOM 0 HG11 VAL A 455 8.651 2.763 5.658 1.00 0.00 H new ATOM 0 HG12 VAL A 455 9.771 1.478 5.146 1.00 0.00 H new ATOM 0 HG13 VAL A 455 8.724 1.233 6.564 1.00 0.00 H new ATOM 0 HG21 VAL A 455 9.109 4.079 7.697 1.00 0.00 H new ATOM 0 HG22 VAL A 455 9.201 2.607 8.692 1.00 0.00 H new ATOM 0 HG23 VAL A 455 10.561 3.754 8.672 1.00 0.00 H new ATOM 794 N VAL A 456 11.456 -0.223 5.649 1.00 0.00 N ATOM 795 CA VAL A 456 12.019 -0.908 4.492 1.00 0.00 C ATOM 796 C VAL A 456 11.177 -0.611 3.252 1.00 0.00 C ATOM 797 O VAL A 456 9.955 -0.496 3.344 1.00 0.00 O ATOM 798 CB VAL A 456 12.119 -2.440 4.718 1.00 0.00 C ATOM 799 CG1 VAL A 456 12.483 -2.749 6.164 1.00 0.00 C ATOM 800 CG2 VAL A 456 10.826 -3.146 4.332 1.00 0.00 C ATOM 0 H VAL A 456 10.574 -0.615 5.978 1.00 0.00 H new ATOM 0 HA VAL A 456 13.032 -0.533 4.344 1.00 0.00 H new ATOM 0 HB VAL A 456 12.911 -2.817 4.071 1.00 0.00 H new ATOM 0 HG11 VAL A 456 12.548 -3.829 6.300 1.00 0.00 H new ATOM 0 HG12 VAL A 456 13.445 -2.295 6.402 1.00 0.00 H new ATOM 0 HG13 VAL A 456 11.717 -2.345 6.826 1.00 0.00 H new ATOM 0 HG21 VAL A 456 10.931 -4.217 4.503 1.00 0.00 H new ATOM 0 HG22 VAL A 456 10.006 -2.761 4.938 1.00 0.00 H new ATOM 0 HG23 VAL A 456 10.614 -2.966 3.278 1.00 0.00 H new ATOM 810 N THR A 457 11.821 -0.480 2.098 1.00 0.00 N ATOM 811 CA THR A 457 11.098 -0.189 0.865 1.00 0.00 C ATOM 812 C THR A 457 11.523 -1.107 -0.276 1.00 0.00 C ATOM 813 O THR A 457 12.693 -1.147 -0.655 1.00 0.00 O ATOM 814 CB THR A 457 11.288 1.274 0.425 1.00 0.00 C ATOM 815 OG1 THR A 457 11.504 2.107 1.571 1.00 0.00 O ATOM 816 CG2 THR A 457 10.071 1.766 -0.343 1.00 0.00 C ATOM 0 H THR A 457 12.831 -0.569 1.990 1.00 0.00 H new ATOM 0 HA THR A 457 10.045 -0.364 1.086 1.00 0.00 H new ATOM 0 HB THR A 457 12.159 1.325 -0.229 1.00 0.00 H new ATOM 0 HG1 THR A 457 11.626 3.036 1.282 1.00 0.00 H new ATOM 0 HG21 THR A 457 10.226 2.802 -0.645 1.00 0.00 H new ATOM 0 HG22 THR A 457 9.925 1.148 -1.229 1.00 0.00 H new ATOM 0 HG23 THR A 457 9.189 1.701 0.294 1.00 0.00 H new ATOM 824 N THR A 458 10.556 -1.838 -0.819 1.00 0.00 N ATOM 825 CA THR A 458 10.808 -2.755 -1.922 1.00 0.00 C ATOM 826 C THR A 458 9.985 -2.363 -3.146 1.00 0.00 C ATOM 827 O THR A 458 8.780 -2.141 -3.043 1.00 0.00 O ATOM 828 CB THR A 458 10.469 -4.205 -1.533 1.00 0.00 C ATOM 829 OG1 THR A 458 10.665 -4.394 -0.127 1.00 0.00 O ATOM 830 CG2 THR A 458 11.329 -5.191 -2.306 1.00 0.00 C ATOM 0 H THR A 458 9.584 -1.812 -0.510 1.00 0.00 H new ATOM 0 HA THR A 458 11.870 -2.692 -2.159 1.00 0.00 H new ATOM 0 HB THR A 458 9.424 -4.388 -1.783 1.00 0.00 H new ATOM 0 HG1 THR A 458 10.445 -5.319 0.113 1.00 0.00 H new ATOM 0 HG21 THR A 458 11.070 -6.208 -2.012 1.00 0.00 H new ATOM 0 HG22 THR A 458 11.155 -5.066 -3.375 1.00 0.00 H new ATOM 0 HG23 THR A 458 12.381 -5.007 -2.086 1.00 0.00 H new ATOM 838 N TYR A 459 10.638 -2.275 -4.299 1.00 0.00 N ATOM 839 CA TYR A 459 9.953 -1.905 -5.534 1.00 0.00 C ATOM 840 C TYR A 459 9.642 -3.138 -6.380 1.00 0.00 C ATOM 841 O TYR A 459 10.546 -3.856 -6.807 1.00 0.00 O ATOM 842 CB TYR A 459 10.802 -0.916 -6.337 1.00 0.00 C ATOM 843 CG TYR A 459 10.753 0.497 -5.803 1.00 0.00 C ATOM 844 CD1 TYR A 459 9.620 1.286 -5.967 1.00 0.00 C ATOM 845 CD2 TYR A 459 11.841 1.044 -5.131 1.00 0.00 C ATOM 846 CE1 TYR A 459 9.573 2.579 -5.479 1.00 0.00 C ATOM 847 CE2 TYR A 459 11.801 2.336 -4.641 1.00 0.00 C ATOM 848 CZ TYR A 459 10.666 3.098 -4.818 1.00 0.00 C ATOM 849 OH TYR A 459 10.622 4.384 -4.331 1.00 0.00 O ATOM 0 H TYR A 459 11.637 -2.454 -4.406 1.00 0.00 H new ATOM 0 HA TYR A 459 9.010 -1.428 -5.267 1.00 0.00 H new ATOM 0 HB2 TYR A 459 11.837 -1.258 -6.341 1.00 0.00 H new ATOM 0 HB3 TYR A 459 10.462 -0.916 -7.373 1.00 0.00 H new ATOM 0 HD1 TYR A 459 8.762 0.882 -6.484 1.00 0.00 H new ATOM 0 HD2 TYR A 459 12.732 0.450 -4.990 1.00 0.00 H new ATOM 0 HE1 TYR A 459 8.685 3.179 -5.615 1.00 0.00 H new ATOM 0 HE2 TYR A 459 12.655 2.746 -4.122 1.00 0.00 H new ATOM 0 HH TYR A 459 11.471 4.596 -3.891 1.00 0.00 H new ATOM 859 N GLU A 460 8.354 -3.375 -6.612 1.00 0.00 N ATOM 860 CA GLU A 460 7.914 -4.520 -7.403 1.00 0.00 C ATOM 861 C GLU A 460 7.480 -4.086 -8.800 1.00 0.00 C ATOM 862 O GLU A 460 6.355 -3.626 -8.993 1.00 0.00 O ATOM 863 CB GLU A 460 6.759 -5.234 -6.699 1.00 0.00 C ATOM 864 CG GLU A 460 7.011 -5.496 -5.223 1.00 0.00 C ATOM 865 CD GLU A 460 5.740 -5.807 -4.458 1.00 0.00 C ATOM 866 OE1 GLU A 460 4.783 -6.315 -5.080 1.00 0.00 O ATOM 867 OE2 GLU A 460 5.701 -5.543 -3.239 1.00 0.00 O ATOM 0 H GLU A 460 7.596 -2.789 -6.263 1.00 0.00 H new ATOM 0 HA GLU A 460 8.755 -5.206 -7.502 1.00 0.00 H new ATOM 0 HB2 GLU A 460 5.855 -4.634 -6.803 1.00 0.00 H new ATOM 0 HB3 GLU A 460 6.571 -6.183 -7.200 1.00 0.00 H new ATOM 0 HG2 GLU A 460 7.705 -6.330 -5.120 1.00 0.00 H new ATOM 0 HG3 GLU A 460 7.492 -4.624 -4.780 1.00 0.00 H new ATOM 874 N GLY A 461 8.374 -4.241 -9.771 1.00 0.00 N ATOM 875 CA GLY A 461 8.056 -3.865 -11.136 1.00 0.00 C ATOM 876 C GLY A 461 8.673 -2.539 -11.542 1.00 0.00 C ATOM 877 O GLY A 461 8.896 -1.666 -10.702 1.00 0.00 O ATOM 0 H GLY A 461 9.312 -4.620 -9.637 1.00 0.00 H new ATOM 0 HA2 GLY A 461 8.405 -4.645 -11.813 1.00 0.00 H new ATOM 0 HA3 GLY A 461 6.973 -3.806 -11.249 1.00 0.00 H new ATOM 881 N LYS A 462 8.949 -2.392 -12.834 1.00 0.00 N ATOM 882 CA LYS A 462 9.542 -1.169 -13.360 1.00 0.00 C ATOM 883 C LYS A 462 8.468 -0.243 -13.922 1.00 0.00 C ATOM 884 O LYS A 462 7.326 -0.655 -14.130 1.00 0.00 O ATOM 885 CB LYS A 462 10.566 -1.500 -14.448 1.00 0.00 C ATOM 886 CG LYS A 462 11.809 -0.627 -14.401 1.00 0.00 C ATOM 887 CD LYS A 462 12.455 -0.505 -15.772 1.00 0.00 C ATOM 888 CE LYS A 462 12.090 0.806 -16.449 1.00 0.00 C ATOM 889 NZ LYS A 462 13.296 1.611 -16.788 1.00 0.00 N ATOM 0 H LYS A 462 8.770 -3.108 -13.538 1.00 0.00 H new ATOM 0 HA LYS A 462 10.046 -0.657 -12.540 1.00 0.00 H new ATOM 0 HB2 LYS A 462 10.862 -2.544 -14.351 1.00 0.00 H new ATOM 0 HB3 LYS A 462 10.094 -1.392 -15.424 1.00 0.00 H new ATOM 0 HG2 LYS A 462 11.545 0.364 -14.032 1.00 0.00 H new ATOM 0 HG3 LYS A 462 12.525 -1.049 -13.696 1.00 0.00 H new ATOM 0 HD2 LYS A 462 13.538 -0.574 -15.672 1.00 0.00 H new ATOM 0 HD3 LYS A 462 12.139 -1.339 -16.399 1.00 0.00 H new ATOM 0 HE2 LYS A 462 11.524 0.600 -17.357 1.00 0.00 H new ATOM 0 HE3 LYS A 462 11.440 1.385 -15.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 462 13.004 2.497 -17.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 462 13.823 1.830 -15.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 462 13.904 1.069 -17.435 1.00 0.00 H new ATOM 903 N HIS A 463 8.838 1.011 -14.163 1.00 0.00 N ATOM 904 CA HIS A 463 7.903 1.995 -14.696 1.00 0.00 C ATOM 905 C HIS A 463 8.150 2.243 -16.180 1.00 0.00 C ATOM 906 O HIS A 463 9.284 2.466 -16.603 1.00 0.00 O ATOM 907 CB HIS A 463 8.015 3.310 -13.926 1.00 0.00 C ATOM 908 CG HIS A 463 7.857 3.151 -12.447 1.00 0.00 C ATOM 909 ND1 HIS A 463 6.636 3.206 -11.809 1.00 0.00 N ATOM 910 CD2 HIS A 463 8.776 2.929 -11.476 1.00 0.00 C ATOM 911 CE1 HIS A 463 6.810 3.026 -10.512 1.00 0.00 C ATOM 912 NE2 HIS A 463 8.099 2.857 -10.283 1.00 0.00 N ATOM 0 H HIS A 463 9.779 1.369 -13.998 1.00 0.00 H new ATOM 0 HA HIS A 463 6.896 1.595 -14.577 1.00 0.00 H new ATOM 0 HB2 HIS A 463 8.985 3.762 -14.133 1.00 0.00 H new ATOM 0 HB3 HIS A 463 7.257 4.002 -14.292 1.00 0.00 H new ATOM 0 HD2 HIS A 463 9.842 2.828 -11.614 1.00 0.00 H new ATOM 0 HE1 HIS A 463 6.030 3.018 -9.765 1.00 0.00 H new ATOM 0 HE2 HIS A 463 8.523 2.699 -9.369 1.00 0.00 H new ATOM 920 N ASN A 464 7.076 2.221 -16.961 1.00 0.00 N ATOM 921 CA ASN A 464 7.168 2.459 -18.397 1.00 0.00 C ATOM 922 C ASN A 464 6.678 3.865 -18.728 1.00 0.00 C ATOM 923 O ASN A 464 5.684 4.042 -19.432 1.00 0.00 O ATOM 924 CB ASN A 464 6.348 1.419 -19.168 1.00 0.00 C ATOM 925 CG ASN A 464 4.989 1.169 -18.544 1.00 0.00 C ATOM 926 OD1 ASN A 464 4.888 0.839 -17.361 1.00 0.00 O ATOM 927 ND2 ASN A 464 3.934 1.323 -19.336 1.00 0.00 N ATOM 0 H ASN A 464 6.130 2.041 -16.624 1.00 0.00 H new ATOM 0 HA ASN A 464 8.212 2.368 -18.697 1.00 0.00 H new ATOM 0 HB2 ASN A 464 6.215 1.756 -20.196 1.00 0.00 H new ATOM 0 HB3 ASN A 464 6.903 0.482 -19.209 1.00 0.00 H new ATOM 0 HD21 ASN A 464 2.995 1.167 -18.970 1.00 0.00 H new ATOM 0 HD22 ASN A 464 4.063 1.597 -20.310 1.00 0.00 H new ATOM 934 N HIS A 465 7.383 4.862 -18.204 1.00 0.00 N ATOM 935 CA HIS A 465 7.015 6.254 -18.431 1.00 0.00 C ATOM 936 C HIS A 465 8.075 7.210 -17.898 1.00 0.00 C ATOM 937 O HIS A 465 8.905 6.838 -17.068 1.00 0.00 O ATOM 938 CB HIS A 465 5.676 6.557 -17.760 1.00 0.00 C ATOM 939 CG HIS A 465 5.704 6.377 -16.272 1.00 0.00 C ATOM 940 ND1 HIS A 465 6.455 7.170 -15.430 1.00 0.00 N ATOM 941 CD2 HIS A 465 5.072 5.483 -15.480 1.00 0.00 C ATOM 942 CE1 HIS A 465 6.283 6.768 -14.182 1.00 0.00 C ATOM 943 NE2 HIS A 465 5.449 5.744 -14.184 1.00 0.00 N ATOM 0 H HIS A 465 8.210 4.732 -17.621 1.00 0.00 H new ATOM 0 HA HIS A 465 6.933 6.401 -19.508 1.00 0.00 H new ATOM 0 HB2 HIS A 465 5.386 7.582 -17.990 1.00 0.00 H new ATOM 0 HB3 HIS A 465 4.910 5.907 -18.183 1.00 0.00 H new ATOM 0 HD2 HIS A 465 4.395 4.707 -15.805 1.00 0.00 H new ATOM 0 HE1 HIS A 465 6.746 7.203 -13.309 1.00 0.00 H new ATOM 0 HE2 HIS A 465 5.136 5.231 -13.360 1.00 0.00 H new