USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=19 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 462 LYS NZ :NH3+ 180:sc= 1.19 (180deg=1.18) USER MOD Set 1.2: A 464 ASN : amide:sc= -0.207 K(o=0.99,f=-2.5!) USER MOD Set 2.1: A 443 LYS NZ :NH3+ 162:sc= 0.0508 (180deg=0) USER MOD Set 2.2: A 459 TYR OH : rot 180:sc= 0.0551 USER MOD Set 3.1: A 434 CYS SG : rot 130:sc= -0.825 USER MOD Set 3.2: A 436 THR OG1 : rot -47:sc= 0.167 USER MOD Set 3.3: A 439 CYS SG : rot 80:sc= -2.12 USER MOD Set 3.4: A 463 HIS : no HD1:sc= -0.774 K(o=-11,f=-9.4) USER MOD Set 3.5: A 465 HIS : no HD1:sc= -7.65! C(o=-11!,f=-9.4!) USER MOD Set 4.1: A 419 GLN : amide:sc= 1.05 K(o=2.2,f=-2.1!) USER MOD Set 4.2: A 430 SER OG : rot -55:sc= 1.17 USER MOD Single : A 412 TYR OH : rot 180:sc= 0 USER MOD Single : A 416 LYS NZ :NH3+ 153:sc= -0.155 (180deg=-0.808) USER MOD Single : A 417 TYR OH : rot 30:sc= -0.136 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= -3.68! C(o=-3.7!,f=-8.8!) USER MOD Single : A 427 TYR OH : rot 30:sc= 0 USER MOD Single : A 431 TYR OH : rot 180:sc= -0.149 USER MOD Single : A 432 TYR OH : rot 175:sc= -1.67 USER MOD Single : A 433 LYS NZ :NH3+ 141:sc= -1.03 (180deg=-2.35!) USER MOD Single : A 435 THR OG1 : rot 180:sc= 0 USER MOD Single : A 444 HIS : no HE2:sc= 0.0294 X(o=0.048,f=-0.31) USER MOD Single : A 450 THR OG1 : rot 180:sc= 0 USER MOD Single : A 453 LYS NZ :NH3+ 141:sc= 0.96 (180deg=-0.172) USER MOD Single : A 457 THR OG1 : rot 180:sc= 0 USER MOD Single : A 458 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 70 N TYR A 412 8.184 8.957 -6.556 1.00 0.00 N ATOM 71 CA TYR A 412 7.058 8.392 -7.291 1.00 0.00 C ATOM 72 C TYR A 412 5.788 8.434 -6.450 1.00 0.00 C ATOM 73 O TYR A 412 5.847 8.448 -5.220 1.00 0.00 O ATOM 74 CB TYR A 412 7.361 6.949 -7.701 1.00 0.00 C ATOM 75 CG TYR A 412 8.486 6.823 -8.705 1.00 0.00 C ATOM 76 CD1 TYR A 412 9.803 7.062 -8.335 1.00 0.00 C ATOM 77 CD2 TYR A 412 8.229 6.460 -10.021 1.00 0.00 C ATOM 78 CE1 TYR A 412 10.832 6.948 -9.249 1.00 0.00 C ATOM 79 CE2 TYR A 412 9.253 6.342 -10.941 1.00 0.00 C ATOM 80 CZ TYR A 412 10.553 6.587 -10.551 1.00 0.00 C ATOM 81 OH TYR A 412 11.575 6.471 -11.464 1.00 0.00 O ATOM 0 HA TYR A 412 6.903 8.993 -8.187 1.00 0.00 H new ATOM 0 HB2 TYR A 412 7.615 6.374 -6.811 1.00 0.00 H new ATOM 0 HB3 TYR A 412 6.459 6.504 -8.122 1.00 0.00 H new ATOM 0 HD1 TYR A 412 10.026 7.342 -7.316 1.00 0.00 H new ATOM 0 HD2 TYR A 412 7.212 6.267 -10.330 1.00 0.00 H new ATOM 0 HE1 TYR A 412 11.851 7.141 -8.946 1.00 0.00 H new ATOM 0 HE2 TYR A 412 9.036 6.059 -11.961 1.00 0.00 H new ATOM 0 HH TYR A 412 11.208 6.208 -12.334 1.00 0.00 H new ATOM 91 N ARG A 413 4.640 8.448 -7.118 1.00 0.00 N ATOM 92 CA ARG A 413 3.359 8.477 -6.424 1.00 0.00 C ATOM 93 C ARG A 413 2.911 7.064 -6.077 1.00 0.00 C ATOM 94 O ARG A 413 3.015 6.151 -6.899 1.00 0.00 O ATOM 95 CB ARG A 413 2.300 9.171 -7.283 1.00 0.00 C ATOM 96 CG ARG A 413 1.117 9.696 -6.484 1.00 0.00 C ATOM 97 CD ARG A 413 1.518 10.853 -5.581 1.00 0.00 C ATOM 98 NE ARG A 413 0.455 11.211 -4.646 1.00 0.00 N ATOM 99 CZ ARG A 413 0.547 12.206 -3.765 1.00 0.00 C ATOM 100 NH1 ARG A 413 1.647 12.944 -3.699 1.00 0.00 N ATOM 101 NH2 ARG A 413 -0.466 12.462 -2.949 1.00 0.00 N ATOM 0 H ARG A 413 4.570 8.440 -8.136 1.00 0.00 H new ATOM 0 HA ARG A 413 3.482 9.041 -5.500 1.00 0.00 H new ATOM 0 HB2 ARG A 413 2.764 10.000 -7.817 1.00 0.00 H new ATOM 0 HB3 ARG A 413 1.938 8.470 -8.035 1.00 0.00 H new ATOM 0 HG2 ARG A 413 0.332 10.022 -7.167 1.00 0.00 H new ATOM 0 HG3 ARG A 413 0.699 8.891 -5.880 1.00 0.00 H new ATOM 0 HD2 ARG A 413 2.415 10.584 -5.024 1.00 0.00 H new ATOM 0 HD3 ARG A 413 1.770 11.719 -6.192 1.00 0.00 H new ATOM 0 HE ARG A 413 -0.408 10.668 -4.669 1.00 0.00 H new ATOM 0 HH11 ARG A 413 2.429 12.751 -4.325 1.00 0.00 H new ATOM 0 HH12 ARG A 413 1.711 13.704 -3.022 1.00 0.00 H new ATOM 0 HH21 ARG A 413 -1.314 11.897 -2.996 1.00 0.00 H new ATOM 0 HH22 ARG A 413 -0.397 13.223 -2.274 1.00 0.00 H new ATOM 115 N TRP A 414 2.422 6.885 -4.856 1.00 0.00 N ATOM 116 CA TRP A 414 1.970 5.576 -4.406 1.00 0.00 C ATOM 117 C TRP A 414 0.621 5.670 -3.700 1.00 0.00 C ATOM 118 O TRP A 414 0.311 6.677 -3.062 1.00 0.00 O ATOM 119 CB TRP A 414 3.010 4.951 -3.477 1.00 0.00 C ATOM 120 CG TRP A 414 4.384 4.918 -4.075 1.00 0.00 C ATOM 121 CD1 TRP A 414 5.301 5.929 -4.083 1.00 0.00 C ATOM 122 CD2 TRP A 414 4.992 3.818 -4.762 1.00 0.00 C ATOM 123 NE1 TRP A 414 6.443 5.527 -4.733 1.00 0.00 N ATOM 124 CE2 TRP A 414 6.278 4.233 -5.160 1.00 0.00 C ATOM 125 CE3 TRP A 414 4.573 2.522 -5.078 1.00 0.00 C ATOM 126 CZ2 TRP A 414 7.146 3.396 -5.858 1.00 0.00 C ATOM 127 CZ3 TRP A 414 5.436 1.693 -5.770 1.00 0.00 C ATOM 128 CH2 TRP A 414 6.710 2.131 -6.154 1.00 0.00 C ATOM 0 H TRP A 414 2.329 7.627 -4.163 1.00 0.00 H new ATOM 0 HA TRP A 414 1.847 4.941 -5.283 1.00 0.00 H new ATOM 0 HB2 TRP A 414 3.039 5.513 -2.543 1.00 0.00 H new ATOM 0 HB3 TRP A 414 2.703 3.935 -3.228 1.00 0.00 H new ATOM 0 HD1 TRP A 414 5.151 6.904 -3.642 1.00 0.00 H new ATOM 0 HE1 TRP A 414 7.277 6.097 -4.875 1.00 0.00 H new ATOM 0 HE3 TRP A 414 3.593 2.175 -4.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 414 8.128 3.732 -6.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 414 5.123 0.690 -6.019 1.00 0.00 H new ATOM 0 HH2 TRP A 414 7.361 1.459 -6.694 1.00 0.00 H new ATOM 139 N ARG A 415 -0.181 4.619 -3.831 1.00 0.00 N ATOM 140 CA ARG A 415 -1.501 4.585 -3.217 1.00 0.00 C ATOM 141 C ARG A 415 -1.545 3.624 -2.032 1.00 0.00 C ATOM 142 O ARG A 415 -1.383 2.414 -2.193 1.00 0.00 O ATOM 143 CB ARG A 415 -2.553 4.183 -4.253 1.00 0.00 C ATOM 144 CG ARG A 415 -3.972 4.190 -3.709 1.00 0.00 C ATOM 145 CD ARG A 415 -4.971 3.707 -4.748 1.00 0.00 C ATOM 146 NE ARG A 415 -5.500 4.808 -5.550 1.00 0.00 N ATOM 147 CZ ARG A 415 -6.650 4.756 -6.217 1.00 0.00 C ATOM 148 NH1 ARG A 415 -7.394 3.657 -6.188 1.00 0.00 N ATOM 149 NH2 ARG A 415 -7.056 5.804 -6.919 1.00 0.00 N ATOM 0 H ARG A 415 0.061 3.780 -4.357 1.00 0.00 H new ATOM 0 HA ARG A 415 -1.720 5.586 -2.846 1.00 0.00 H new ATOM 0 HB2 ARG A 415 -2.494 4.864 -5.102 1.00 0.00 H new ATOM 0 HB3 ARG A 415 -2.321 3.186 -4.627 1.00 0.00 H new ATOM 0 HG2 ARG A 415 -4.027 3.553 -2.826 1.00 0.00 H new ATOM 0 HG3 ARG A 415 -4.236 5.199 -3.391 1.00 0.00 H new ATOM 0 HD2 ARG A 415 -4.491 2.980 -5.402 1.00 0.00 H new ATOM 0 HD3 ARG A 415 -5.793 3.193 -4.250 1.00 0.00 H new ATOM 0 HE ARG A 415 -4.955 5.668 -5.602 1.00 0.00 H new ATOM 0 HH11 ARG A 415 -7.085 2.846 -5.652 1.00 0.00 H new ATOM 0 HH12 ARG A 415 -8.275 3.624 -6.702 1.00 0.00 H new ATOM 0 HH21 ARG A 415 -6.487 6.650 -6.948 1.00 0.00 H new ATOM 0 HH22 ARG A 415 -7.938 5.765 -7.431 1.00 0.00 H new ATOM 163 N LYS A 416 -1.779 4.174 -0.845 1.00 0.00 N ATOM 164 CA LYS A 416 -1.863 3.376 0.375 1.00 0.00 C ATOM 165 C LYS A 416 -3.109 2.493 0.340 1.00 0.00 C ATOM 166 O LYS A 416 -4.192 2.958 -0.016 1.00 0.00 O ATOM 167 CB LYS A 416 -1.903 4.306 1.598 1.00 0.00 C ATOM 168 CG LYS A 416 -2.181 3.602 2.920 1.00 0.00 C ATOM 169 CD LYS A 416 -0.926 3.486 3.768 1.00 0.00 C ATOM 170 CE LYS A 416 -0.677 4.753 4.571 1.00 0.00 C ATOM 171 NZ LYS A 416 -1.806 5.054 5.498 1.00 0.00 N ATOM 0 H LYS A 416 -1.915 5.175 -0.701 1.00 0.00 H new ATOM 0 HA LYS A 416 -0.985 2.734 0.445 1.00 0.00 H new ATOM 0 HB2 LYS A 416 -0.949 4.828 1.673 1.00 0.00 H new ATOM 0 HB3 LYS A 416 -2.669 5.064 1.437 1.00 0.00 H new ATOM 0 HG2 LYS A 416 -2.944 4.151 3.472 1.00 0.00 H new ATOM 0 HG3 LYS A 416 -2.582 2.607 2.726 1.00 0.00 H new ATOM 0 HD2 LYS A 416 -1.021 2.637 4.445 1.00 0.00 H new ATOM 0 HD3 LYS A 416 -0.068 3.287 3.125 1.00 0.00 H new ATOM 0 HE2 LYS A 416 0.244 4.645 5.144 1.00 0.00 H new ATOM 0 HE3 LYS A 416 -0.533 5.592 3.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 416 -1.452 5.597 6.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 416 -2.527 5.611 4.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 416 -2.227 4.164 5.833 1.00 0.00 H new ATOM 185 N TYR A 417 -2.961 1.223 0.714 1.00 0.00 N ATOM 186 CA TYR A 417 -4.112 0.326 0.709 1.00 0.00 C ATOM 187 C TYR A 417 -3.909 -0.958 1.516 1.00 0.00 C ATOM 188 O TYR A 417 -2.897 -1.647 1.392 1.00 0.00 O ATOM 189 CB TYR A 417 -4.516 -0.013 -0.732 1.00 0.00 C ATOM 190 CG TYR A 417 -3.658 -1.068 -1.398 1.00 0.00 C ATOM 191 CD1 TYR A 417 -3.795 -2.411 -1.073 1.00 0.00 C ATOM 192 CD2 TYR A 417 -2.717 -0.719 -2.362 1.00 0.00 C ATOM 193 CE1 TYR A 417 -3.020 -3.377 -1.684 1.00 0.00 C ATOM 194 CE2 TYR A 417 -1.938 -1.681 -2.977 1.00 0.00 C ATOM 195 CZ TYR A 417 -2.093 -3.007 -2.636 1.00 0.00 C ATOM 196 OH TYR A 417 -1.320 -3.966 -3.248 1.00 0.00 O ATOM 0 H TYR A 417 -2.082 0.802 1.016 1.00 0.00 H new ATOM 0 HA TYR A 417 -4.915 0.869 1.207 1.00 0.00 H new ATOM 0 HB2 TYR A 417 -5.552 -0.352 -0.734 1.00 0.00 H new ATOM 0 HB3 TYR A 417 -4.477 0.898 -1.330 1.00 0.00 H new ATOM 0 HD1 TYR A 417 -4.521 -2.705 -0.329 1.00 0.00 H new ATOM 0 HD2 TYR A 417 -2.594 0.319 -2.634 1.00 0.00 H new ATOM 0 HE1 TYR A 417 -3.139 -4.417 -1.418 1.00 0.00 H new ATOM 0 HE2 TYR A 417 -1.211 -1.394 -3.722 1.00 0.00 H new ATOM 0 HH TYR A 417 -1.817 -4.809 -3.290 1.00 0.00 H new ATOM 206 N GLY A 418 -4.925 -1.267 2.320 1.00 0.00 N ATOM 207 CA GLY A 418 -4.928 -2.473 3.130 1.00 0.00 C ATOM 208 C GLY A 418 -3.859 -2.521 4.207 1.00 0.00 C ATOM 209 O GLY A 418 -2.849 -3.208 4.046 1.00 0.00 O ATOM 0 H GLY A 418 -5.760 -0.691 2.425 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -5.905 -2.573 3.603 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -4.802 -3.334 2.474 1.00 0.00 H new ATOM 213 N GLN A 419 -4.078 -1.826 5.323 1.00 0.00 N ATOM 214 CA GLN A 419 -3.121 -1.846 6.420 1.00 0.00 C ATOM 215 C GLN A 419 -3.260 -3.150 7.203 1.00 0.00 C ATOM 216 O GLN A 419 -4.296 -3.407 7.819 1.00 0.00 O ATOM 217 CB GLN A 419 -3.331 -0.650 7.347 1.00 0.00 C ATOM 218 CG GLN A 419 -2.221 -0.476 8.371 1.00 0.00 C ATOM 219 CD GLN A 419 -1.312 0.696 8.056 1.00 0.00 C ATOM 220 OE1 GLN A 419 -0.208 0.519 7.543 1.00 0.00 O ATOM 221 NE2 GLN A 419 -1.774 1.902 8.362 1.00 0.00 N ATOM 0 H GLN A 419 -4.903 -1.248 5.487 1.00 0.00 H new ATOM 0 HA GLN A 419 -2.115 -1.781 6.005 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -3.406 0.257 6.747 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -4.281 -0.767 7.869 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -2.662 -0.334 9.358 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -1.627 -1.389 8.416 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -2.696 2.002 8.787 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -1.207 2.729 8.173 1.00 0.00 H new ATOM 230 N LYS A 420 -2.221 -3.976 7.163 1.00 0.00 N ATOM 231 CA LYS A 420 -2.236 -5.263 7.854 1.00 0.00 C ATOM 232 C LYS A 420 -1.043 -5.395 8.794 1.00 0.00 C ATOM 233 O LYS A 420 0.035 -4.876 8.515 1.00 0.00 O ATOM 234 CB LYS A 420 -2.224 -6.402 6.831 1.00 0.00 C ATOM 235 CG LYS A 420 -2.298 -7.789 7.450 1.00 0.00 C ATOM 236 CD LYS A 420 -1.301 -8.740 6.805 1.00 0.00 C ATOM 237 CE LYS A 420 -1.796 -10.176 6.841 1.00 0.00 C ATOM 238 NZ LYS A 420 -0.685 -11.152 6.675 1.00 0.00 N ATOM 0 H LYS A 420 -1.356 -3.779 6.659 1.00 0.00 H new ATOM 0 HA LYS A 420 -3.146 -5.320 8.451 1.00 0.00 H new ATOM 0 HB2 LYS A 420 -3.065 -6.274 6.150 1.00 0.00 H new ATOM 0 HB3 LYS A 420 -1.316 -6.330 6.233 1.00 0.00 H new ATOM 0 HG2 LYS A 420 -2.100 -7.722 8.520 1.00 0.00 H new ATOM 0 HG3 LYS A 420 -3.307 -8.186 7.337 1.00 0.00 H new ATOM 0 HD2 LYS A 420 -1.127 -8.440 5.772 1.00 0.00 H new ATOM 0 HD3 LYS A 420 -0.344 -8.671 7.322 1.00 0.00 H new ATOM 0 HE2 LYS A 420 -2.303 -10.361 7.788 1.00 0.00 H new ATOM 0 HE3 LYS A 420 -2.532 -10.326 6.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 -1.065 -12.119 6.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 -0.217 -10.993 5.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 0.005 -11.027 7.443 1.00 0.00 H new ATOM 252 N VAL A 421 -1.238 -6.100 9.905 1.00 0.00 N ATOM 253 CA VAL A 421 -0.169 -6.304 10.874 1.00 0.00 C ATOM 254 C VAL A 421 0.467 -7.679 10.700 1.00 0.00 C ATOM 255 O VAL A 421 -0.217 -8.652 10.380 1.00 0.00 O ATOM 256 CB VAL A 421 -0.679 -6.158 12.323 1.00 0.00 C ATOM 257 CG1 VAL A 421 -1.762 -7.187 12.619 1.00 0.00 C ATOM 258 CG2 VAL A 421 0.471 -6.284 13.312 1.00 0.00 C ATOM 0 H VAL A 421 -2.125 -6.538 10.155 1.00 0.00 H new ATOM 0 HA VAL A 421 0.579 -5.533 10.689 1.00 0.00 H new ATOM 0 HB VAL A 421 -1.115 -5.165 12.433 1.00 0.00 H new ATOM 0 HG11 VAL A 421 -2.108 -7.066 13.646 1.00 0.00 H new ATOM 0 HG12 VAL A 421 -2.598 -7.042 11.935 1.00 0.00 H new ATOM 0 HG13 VAL A 421 -1.356 -8.190 12.488 1.00 0.00 H new ATOM 0 HG21 VAL A 421 0.090 -6.178 14.328 1.00 0.00 H new ATOM 0 HG22 VAL A 421 0.941 -7.261 13.201 1.00 0.00 H new ATOM 0 HG23 VAL A 421 1.206 -5.503 13.117 1.00 0.00 H new ATOM 268 N VAL A 422 1.778 -7.751 10.900 1.00 0.00 N ATOM 269 CA VAL A 422 2.499 -9.009 10.753 1.00 0.00 C ATOM 270 C VAL A 422 3.309 -9.343 12.002 1.00 0.00 C ATOM 271 O VAL A 422 3.880 -8.449 12.648 1.00 0.00 O ATOM 272 CB VAL A 422 3.447 -8.972 9.541 1.00 0.00 C ATOM 273 CG1 VAL A 422 2.663 -9.084 8.241 1.00 0.00 C ATOM 274 CG2 VAL A 422 4.285 -7.702 9.558 1.00 0.00 C ATOM 0 H VAL A 422 2.361 -6.956 11.163 1.00 0.00 H new ATOM 0 HA VAL A 422 1.745 -9.781 10.600 1.00 0.00 H new ATOM 0 HB VAL A 422 4.120 -9.827 9.605 1.00 0.00 H new ATOM 0 HG11 VAL A 422 3.352 -9.056 7.397 1.00 0.00 H new ATOM 0 HG12 VAL A 422 2.112 -10.024 8.228 1.00 0.00 H new ATOM 0 HG13 VAL A 422 1.963 -8.252 8.166 1.00 0.00 H new ATOM 0 HG21 VAL A 422 4.949 -7.693 8.694 1.00 0.00 H new ATOM 0 HG22 VAL A 422 3.629 -6.833 9.520 1.00 0.00 H new ATOM 0 HG23 VAL A 422 4.878 -7.670 10.472 1.00 0.00 H new ATOM 284 N LYS A 423 3.354 -10.640 12.327 1.00 0.00 N ATOM 285 CA LYS A 423 4.094 -11.128 13.485 1.00 0.00 C ATOM 286 C LYS A 423 5.576 -11.248 13.152 1.00 0.00 C ATOM 287 O LYS A 423 5.992 -10.929 12.038 1.00 0.00 O ATOM 288 CB LYS A 423 3.546 -12.483 13.937 1.00 0.00 C ATOM 289 CG LYS A 423 3.682 -13.576 12.888 1.00 0.00 C ATOM 290 CD LYS A 423 2.336 -13.940 12.281 1.00 0.00 C ATOM 291 CE LYS A 423 2.397 -15.268 11.544 1.00 0.00 C ATOM 292 NZ LYS A 423 1.452 -15.311 10.393 1.00 0.00 N ATOM 0 H LYS A 423 2.881 -11.372 11.797 1.00 0.00 H new ATOM 0 HA LYS A 423 3.973 -10.413 14.299 1.00 0.00 H new ATOM 0 HB2 LYS A 423 4.068 -12.793 14.842 1.00 0.00 H new ATOM 0 HB3 LYS A 423 2.494 -12.371 14.198 1.00 0.00 H new ATOM 0 HG2 LYS A 423 4.359 -13.243 12.101 1.00 0.00 H new ATOM 0 HG3 LYS A 423 4.129 -14.461 13.340 1.00 0.00 H new ATOM 0 HD2 LYS A 423 1.584 -13.994 13.068 1.00 0.00 H new ATOM 0 HD3 LYS A 423 2.022 -13.155 11.593 1.00 0.00 H new ATOM 0 HE2 LYS A 423 3.412 -15.438 11.186 1.00 0.00 H new ATOM 0 HE3 LYS A 423 2.163 -16.078 12.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 1.525 -16.233 9.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 0.480 -15.175 10.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 1.690 -14.555 9.720 1.00 0.00 H new ATOM 306 N GLY A 424 6.379 -11.681 14.121 1.00 0.00 N ATOM 307 CA GLY A 424 7.813 -11.795 13.894 1.00 0.00 C ATOM 308 C GLY A 424 8.465 -10.429 13.747 1.00 0.00 C ATOM 309 O GLY A 424 9.682 -10.287 13.872 1.00 0.00 O ATOM 0 H GLY A 424 6.067 -11.953 15.053 1.00 0.00 H new ATOM 0 HA2 GLY A 424 8.272 -12.331 14.725 1.00 0.00 H new ATOM 0 HA3 GLY A 424 7.994 -12.384 12.995 1.00 0.00 H new ATOM 313 N ASN A 425 7.632 -9.427 13.490 1.00 0.00 N ATOM 314 CA ASN A 425 8.057 -8.052 13.328 1.00 0.00 C ATOM 315 C ASN A 425 6.907 -7.152 13.770 1.00 0.00 C ATOM 316 O ASN A 425 6.436 -6.317 13.006 1.00 0.00 O ATOM 317 CB ASN A 425 8.421 -7.784 11.862 1.00 0.00 C ATOM 318 CG ASN A 425 8.963 -6.386 11.627 1.00 0.00 C ATOM 319 OD1 ASN A 425 10.165 -6.150 11.724 1.00 0.00 O ATOM 320 ND2 ASN A 425 8.076 -5.453 11.302 1.00 0.00 N ATOM 0 H ASN A 425 6.625 -9.556 13.388 1.00 0.00 H new ATOM 0 HA ASN A 425 8.941 -7.850 13.933 1.00 0.00 H new ATOM 0 HB2 ASN A 425 9.164 -8.514 11.539 1.00 0.00 H new ATOM 0 HB3 ASN A 425 7.537 -7.933 11.242 1.00 0.00 H new ATOM 0 HD21 ASN A 425 8.384 -4.497 11.122 1.00 0.00 H new ATOM 0 HD22 ASN A 425 7.087 -5.692 11.232 1.00 0.00 H new ATOM 327 N PRO A 426 6.431 -7.348 15.025 1.00 0.00 N ATOM 328 CA PRO A 426 5.320 -6.606 15.623 1.00 0.00 C ATOM 329 C PRO A 426 5.120 -5.216 15.040 1.00 0.00 C ATOM 330 O PRO A 426 5.376 -4.212 15.706 1.00 0.00 O ATOM 331 CB PRO A 426 5.763 -6.526 17.074 1.00 0.00 C ATOM 332 CG PRO A 426 6.452 -7.832 17.327 1.00 0.00 C ATOM 333 CD PRO A 426 6.945 -8.340 15.986 1.00 0.00 C ATOM 0 HA PRO A 426 4.357 -7.088 15.452 1.00 0.00 H new ATOM 0 HB2 PRO A 426 6.435 -5.684 17.238 1.00 0.00 H new ATOM 0 HB3 PRO A 426 4.913 -6.390 17.742 1.00 0.00 H new ATOM 0 HG2 PRO A 426 7.284 -7.702 18.019 1.00 0.00 H new ATOM 0 HG3 PRO A 426 5.767 -8.547 17.782 1.00 0.00 H new ATOM 0 HD2 PRO A 426 8.033 -8.400 15.956 1.00 0.00 H new ATOM 0 HD3 PRO A 426 6.565 -9.339 15.772 1.00 0.00 H new ATOM 341 N TYR A 427 4.663 -5.164 13.798 1.00 0.00 N ATOM 342 CA TYR A 427 4.449 -3.881 13.142 1.00 0.00 C ATOM 343 C TYR A 427 3.430 -3.969 12.013 1.00 0.00 C ATOM 344 O TYR A 427 3.325 -4.988 11.331 1.00 0.00 O ATOM 345 CB TYR A 427 5.777 -3.346 12.594 1.00 0.00 C ATOM 346 CG TYR A 427 6.700 -2.786 13.657 1.00 0.00 C ATOM 347 CD1 TYR A 427 7.499 -3.624 14.428 1.00 0.00 C ATOM 348 CD2 TYR A 427 6.779 -1.417 13.884 1.00 0.00 C ATOM 349 CE1 TYR A 427 8.344 -3.113 15.396 1.00 0.00 C ATOM 350 CE2 TYR A 427 7.624 -0.900 14.846 1.00 0.00 C ATOM 351 CZ TYR A 427 8.403 -1.751 15.599 1.00 0.00 C ATOM 352 OH TYR A 427 9.247 -1.240 16.559 1.00 0.00 O ATOM 0 H TYR A 427 4.436 -5.981 13.231 1.00 0.00 H new ATOM 0 HA TYR A 427 4.050 -3.198 13.893 1.00 0.00 H new ATOM 0 HB2 TYR A 427 6.291 -4.150 12.067 1.00 0.00 H new ATOM 0 HB3 TYR A 427 5.568 -2.567 11.861 1.00 0.00 H new ATOM 0 HD1 TYR A 427 7.459 -4.691 14.268 1.00 0.00 H new ATOM 0 HD2 TYR A 427 6.169 -0.746 13.298 1.00 0.00 H new ATOM 0 HE1 TYR A 427 8.954 -3.777 15.990 1.00 0.00 H new ATOM 0 HE2 TYR A 427 7.674 0.167 15.007 1.00 0.00 H new ATOM 0 HH TYR A 427 10.025 -1.828 16.657 1.00 0.00 H new ATOM 362 N PRO A 428 2.671 -2.879 11.794 1.00 0.00 N ATOM 363 CA PRO A 428 1.669 -2.812 10.739 1.00 0.00 C ATOM 364 C PRO A 428 2.294 -2.462 9.395 1.00 0.00 C ATOM 365 O PRO A 428 3.064 -1.509 9.290 1.00 0.00 O ATOM 366 CB PRO A 428 0.753 -1.690 11.214 1.00 0.00 C ATOM 367 CG PRO A 428 1.656 -0.763 11.956 1.00 0.00 C ATOM 368 CD PRO A 428 2.747 -1.616 12.556 1.00 0.00 C ATOM 0 HA PRO A 428 1.156 -3.761 10.581 1.00 0.00 H new ATOM 0 HB2 PRO A 428 0.271 -1.188 10.375 1.00 0.00 H new ATOM 0 HB3 PRO A 428 -0.041 -2.070 11.857 1.00 0.00 H new ATOM 0 HG2 PRO A 428 2.075 -0.011 11.287 1.00 0.00 H new ATOM 0 HG3 PRO A 428 1.110 -0.229 12.733 1.00 0.00 H new ATOM 0 HD2 PRO A 428 3.725 -1.145 12.452 1.00 0.00 H new ATOM 0 HD3 PRO A 428 2.584 -1.782 13.621 1.00 0.00 H new ATOM 376 N ARG A 429 1.962 -3.236 8.371 1.00 0.00 N ATOM 377 CA ARG A 429 2.498 -2.999 7.040 1.00 0.00 C ATOM 378 C ARG A 429 1.487 -2.252 6.176 1.00 0.00 C ATOM 379 O ARG A 429 0.312 -2.143 6.528 1.00 0.00 O ATOM 380 CB ARG A 429 2.891 -4.324 6.378 1.00 0.00 C ATOM 381 CG ARG A 429 1.719 -5.093 5.782 1.00 0.00 C ATOM 382 CD ARG A 429 2.066 -6.556 5.543 1.00 0.00 C ATOM 383 NE ARG A 429 3.389 -6.722 4.939 1.00 0.00 N ATOM 384 CZ ARG A 429 3.738 -7.766 4.191 1.00 0.00 C ATOM 385 NH1 ARG A 429 2.874 -8.745 3.953 1.00 0.00 N ATOM 386 NH2 ARG A 429 4.962 -7.835 3.682 1.00 0.00 N ATOM 0 H ARG A 429 1.326 -4.031 8.437 1.00 0.00 H new ATOM 0 HA ARG A 429 3.390 -2.380 7.136 1.00 0.00 H new ATOM 0 HB2 ARG A 429 3.618 -4.123 5.591 1.00 0.00 H new ATOM 0 HB3 ARG A 429 3.387 -4.954 7.117 1.00 0.00 H new ATOM 0 HG2 ARG A 429 0.862 -5.027 6.453 1.00 0.00 H new ATOM 0 HG3 ARG A 429 1.422 -4.631 4.840 1.00 0.00 H new ATOM 0 HD2 ARG A 429 2.031 -7.095 6.490 1.00 0.00 H new ATOM 0 HD3 ARG A 429 1.314 -7.004 4.894 1.00 0.00 H new ATOM 0 HE ARG A 429 4.085 -5.994 5.101 1.00 0.00 H new ATOM 0 HH11 ARG A 429 1.933 -8.701 4.345 1.00 0.00 H new ATOM 0 HH12 ARG A 429 3.151 -9.541 3.378 1.00 0.00 H new ATOM 0 HH21 ARG A 429 5.633 -7.089 3.864 1.00 0.00 H new ATOM 0 HH22 ARG A 429 5.232 -8.634 3.108 1.00 0.00 H new ATOM 400 N SER A 430 1.955 -1.750 5.044 1.00 0.00 N ATOM 401 CA SER A 430 1.101 -1.020 4.120 1.00 0.00 C ATOM 402 C SER A 430 1.400 -1.441 2.689 1.00 0.00 C ATOM 403 O SER A 430 2.542 -1.762 2.357 1.00 0.00 O ATOM 404 CB SER A 430 1.306 0.487 4.279 1.00 0.00 C ATOM 405 OG SER A 430 1.385 0.848 5.648 1.00 0.00 O ATOM 0 H SER A 430 2.926 -1.835 4.742 1.00 0.00 H new ATOM 0 HA SER A 430 0.061 -1.254 4.348 1.00 0.00 H new ATOM 0 HB2 SER A 430 2.219 0.789 3.766 1.00 0.00 H new ATOM 0 HB3 SER A 430 0.483 1.022 3.805 1.00 0.00 H new ATOM 0 HG SER A 430 0.591 0.519 6.119 1.00 0.00 H new ATOM 411 N TYR A 431 0.381 -1.431 1.838 1.00 0.00 N ATOM 412 CA TYR A 431 0.568 -1.811 0.448 1.00 0.00 C ATOM 413 C TYR A 431 0.486 -0.589 -0.454 1.00 0.00 C ATOM 414 O TYR A 431 -0.601 -0.131 -0.806 1.00 0.00 O ATOM 415 CB TYR A 431 -0.471 -2.852 0.028 1.00 0.00 C ATOM 416 CG TYR A 431 -0.501 -4.070 0.925 1.00 0.00 C ATOM 417 CD1 TYR A 431 -0.843 -3.962 2.267 1.00 0.00 C ATOM 418 CD2 TYR A 431 -0.182 -5.327 0.430 1.00 0.00 C ATOM 419 CE1 TYR A 431 -0.867 -5.072 3.090 1.00 0.00 C ATOM 420 CE2 TYR A 431 -0.204 -6.443 1.244 1.00 0.00 C ATOM 421 CZ TYR A 431 -0.546 -6.309 2.574 1.00 0.00 C ATOM 422 OH TYR A 431 -0.569 -7.417 3.390 1.00 0.00 O ATOM 0 H TYR A 431 -0.573 -1.167 2.085 1.00 0.00 H new ATOM 0 HA TYR A 431 1.559 -2.253 0.346 1.00 0.00 H new ATOM 0 HB2 TYR A 431 -1.458 -2.388 0.025 1.00 0.00 H new ATOM 0 HB3 TYR A 431 -0.264 -3.168 -0.994 1.00 0.00 H new ATOM 0 HD1 TYR A 431 -1.094 -2.994 2.674 1.00 0.00 H new ATOM 0 HD2 TYR A 431 0.088 -5.434 -0.610 1.00 0.00 H new ATOM 0 HE1 TYR A 431 -1.136 -4.971 4.131 1.00 0.00 H new ATOM 0 HE2 TYR A 431 0.045 -7.414 0.842 1.00 0.00 H new ATOM 0 HH TYR A 431 -0.319 -8.210 2.872 1.00 0.00 H new ATOM 432 N TYR A 432 1.650 -0.059 -0.816 1.00 0.00 N ATOM 433 CA TYR A 432 1.728 1.112 -1.676 1.00 0.00 C ATOM 434 C TYR A 432 1.961 0.683 -3.121 1.00 0.00 C ATOM 435 O TYR A 432 2.951 0.017 -3.423 1.00 0.00 O ATOM 436 CB TYR A 432 2.866 2.023 -1.212 1.00 0.00 C ATOM 437 CG TYR A 432 2.492 2.967 -0.095 1.00 0.00 C ATOM 438 CD1 TYR A 432 1.670 4.062 -0.326 1.00 0.00 C ATOM 439 CD2 TYR A 432 2.971 2.764 1.193 1.00 0.00 C ATOM 440 CE1 TYR A 432 1.335 4.929 0.697 1.00 0.00 C ATOM 441 CE2 TYR A 432 2.640 3.624 2.221 1.00 0.00 C ATOM 442 CZ TYR A 432 1.823 4.706 1.969 1.00 0.00 C ATOM 443 OH TYR A 432 1.491 5.567 2.990 1.00 0.00 O ATOM 0 H TYR A 432 2.556 -0.426 -0.524 1.00 0.00 H new ATOM 0 HA TYR A 432 0.787 1.659 -1.617 1.00 0.00 H new ATOM 0 HB2 TYR A 432 3.701 1.403 -0.884 1.00 0.00 H new ATOM 0 HB3 TYR A 432 3.218 2.607 -2.063 1.00 0.00 H new ATOM 0 HD1 TYR A 432 1.287 4.239 -1.320 1.00 0.00 H new ATOM 0 HD2 TYR A 432 3.613 1.919 1.394 1.00 0.00 H new ATOM 0 HE1 TYR A 432 0.695 5.777 0.502 1.00 0.00 H new ATOM 0 HE2 TYR A 432 3.019 3.450 3.217 1.00 0.00 H new ATOM 0 HH TYR A 432 1.849 5.225 3.836 1.00 0.00 H new ATOM 453 N LYS A 433 1.045 1.054 -4.010 1.00 0.00 N ATOM 454 CA LYS A 433 1.169 0.687 -5.416 1.00 0.00 C ATOM 455 C LYS A 433 1.378 1.911 -6.297 1.00 0.00 C ATOM 456 O LYS A 433 0.513 2.782 -6.388 1.00 0.00 O ATOM 457 CB LYS A 433 -0.072 -0.081 -5.876 1.00 0.00 C ATOM 458 CG LYS A 433 -1.380 0.644 -5.597 1.00 0.00 C ATOM 459 CD LYS A 433 -2.400 0.393 -6.696 1.00 0.00 C ATOM 460 CE LYS A 433 -2.324 1.456 -7.780 1.00 0.00 C ATOM 461 NZ LYS A 433 -1.532 0.997 -8.954 1.00 0.00 N ATOM 0 H LYS A 433 0.216 1.604 -3.785 1.00 0.00 H new ATOM 0 HA LYS A 433 2.046 0.047 -5.514 1.00 0.00 H new ATOM 0 HB2 LYS A 433 0.006 -0.272 -6.946 1.00 0.00 H new ATOM 0 HB3 LYS A 433 -0.092 -1.051 -5.380 1.00 0.00 H new ATOM 0 HG2 LYS A 433 -1.785 0.312 -4.641 1.00 0.00 H new ATOM 0 HG3 LYS A 433 -1.193 1.714 -5.510 1.00 0.00 H new ATOM 0 HD2 LYS A 433 -2.228 -0.589 -7.136 1.00 0.00 H new ATOM 0 HD3 LYS A 433 -3.402 0.380 -6.268 1.00 0.00 H new ATOM 0 HE2 LYS A 433 -3.332 1.718 -8.102 1.00 0.00 H new ATOM 0 HE3 LYS A 433 -1.875 2.361 -7.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 -1.982 1.333 -9.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 -0.567 1.379 -8.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 -1.493 -0.042 -8.961 1.00 0.00 H new ATOM 475 N CYS A 434 2.535 1.971 -6.952 1.00 0.00 N ATOM 476 CA CYS A 434 2.859 3.084 -7.832 1.00 0.00 C ATOM 477 C CYS A 434 1.884 3.146 -9.000 1.00 0.00 C ATOM 478 O CYS A 434 1.510 2.122 -9.571 1.00 0.00 O ATOM 479 CB CYS A 434 4.301 2.949 -8.350 1.00 0.00 C ATOM 480 SG CYS A 434 4.664 3.892 -9.858 1.00 0.00 S ATOM 0 H CYS A 434 3.263 1.259 -6.888 1.00 0.00 H new ATOM 0 HA CYS A 434 2.774 4.010 -7.263 1.00 0.00 H new ATOM 0 HB2 CYS A 434 4.985 3.270 -7.565 1.00 0.00 H new ATOM 0 HB3 CYS A 434 4.506 1.895 -8.540 1.00 0.00 H new ATOM 0 HG CYS A 434 5.748 4.589 -9.684 1.00 0.00 H new ATOM 485 N THR A 435 1.492 4.360 -9.359 1.00 0.00 N ATOM 486 CA THR A 435 0.579 4.576 -10.468 1.00 0.00 C ATOM 487 C THR A 435 1.214 5.522 -11.475 1.00 0.00 C ATOM 488 O THR A 435 1.924 6.451 -11.090 1.00 0.00 O ATOM 489 CB THR A 435 -0.760 5.173 -9.991 1.00 0.00 C ATOM 490 OG1 THR A 435 -0.558 6.512 -9.526 1.00 0.00 O ATOM 491 CG2 THR A 435 -1.364 4.329 -8.875 1.00 0.00 C ATOM 0 H THR A 435 1.796 5.215 -8.893 1.00 0.00 H new ATOM 0 HA THR A 435 0.379 3.609 -10.929 1.00 0.00 H new ATOM 0 HB THR A 435 -1.451 5.180 -10.834 1.00 0.00 H new ATOM 0 HG1 THR A 435 -1.412 6.886 -9.226 1.00 0.00 H new ATOM 0 HG21 THR A 435 -2.308 4.770 -8.555 1.00 0.00 H new ATOM 0 HG22 THR A 435 -1.541 3.317 -9.239 1.00 0.00 H new ATOM 0 HG23 THR A 435 -0.675 4.295 -8.031 1.00 0.00 H new ATOM 499 N THR A 436 0.951 5.306 -12.761 1.00 0.00 N ATOM 500 CA THR A 436 1.499 6.163 -13.803 1.00 0.00 C ATOM 501 C THR A 436 0.833 5.838 -15.137 1.00 0.00 C ATOM 502 O THR A 436 0.629 4.668 -15.457 1.00 0.00 O ATOM 503 CB THR A 436 3.022 5.984 -13.945 1.00 0.00 C ATOM 504 OG1 THR A 436 3.630 5.815 -12.660 1.00 0.00 O ATOM 505 CG2 THR A 436 3.644 7.176 -14.652 1.00 0.00 C ATOM 0 H THR A 436 0.363 4.546 -13.104 1.00 0.00 H new ATOM 0 HA THR A 436 1.301 7.197 -13.520 1.00 0.00 H new ATOM 0 HB THR A 436 3.199 5.090 -14.544 1.00 0.00 H new ATOM 0 HG1 THR A 436 3.291 6.498 -12.045 1.00 0.00 H new ATOM 0 HG21 THR A 436 4.720 7.026 -14.740 1.00 0.00 H new ATOM 0 HG22 THR A 436 3.209 7.277 -15.646 1.00 0.00 H new ATOM 0 HG23 THR A 436 3.450 8.082 -14.077 1.00 0.00 H new ATOM 513 N PRO A 437 0.472 6.859 -15.935 1.00 0.00 N ATOM 514 CA PRO A 437 -0.182 6.649 -17.231 1.00 0.00 C ATOM 515 C PRO A 437 0.547 5.627 -18.100 1.00 0.00 C ATOM 516 O PRO A 437 1.374 5.991 -18.936 1.00 0.00 O ATOM 517 CB PRO A 437 -0.132 8.033 -17.879 1.00 0.00 C ATOM 518 CG PRO A 437 -0.110 8.982 -16.732 1.00 0.00 C ATOM 519 CD PRO A 437 0.660 8.293 -15.638 1.00 0.00 C ATOM 0 HA PRO A 437 -1.190 6.250 -17.116 1.00 0.00 H new ATOM 0 HB2 PRO A 437 0.753 8.146 -18.505 1.00 0.00 H new ATOM 0 HB3 PRO A 437 -0.998 8.203 -18.518 1.00 0.00 H new ATOM 0 HG2 PRO A 437 0.366 9.922 -17.012 1.00 0.00 H new ATOM 0 HG3 PRO A 437 -1.122 9.222 -16.405 1.00 0.00 H new ATOM 0 HD2 PRO A 437 1.714 8.571 -15.652 1.00 0.00 H new ATOM 0 HD3 PRO A 437 0.275 8.552 -14.652 1.00 0.00 H new ATOM 527 N GLY A 438 0.233 4.348 -17.902 1.00 0.00 N ATOM 528 CA GLY A 438 0.866 3.301 -18.681 1.00 0.00 C ATOM 529 C GLY A 438 1.729 2.367 -17.849 1.00 0.00 C ATOM 530 O GLY A 438 2.317 1.427 -18.383 1.00 0.00 O ATOM 0 H GLY A 438 -0.448 4.021 -17.217 1.00 0.00 H new ATOM 0 HA2 GLY A 438 0.096 2.718 -19.186 1.00 0.00 H new ATOM 0 HA3 GLY A 438 1.481 3.757 -19.457 1.00 0.00 H new ATOM 534 N CYS A 439 1.820 2.621 -16.544 1.00 0.00 N ATOM 535 CA CYS A 439 2.634 1.782 -15.669 1.00 0.00 C ATOM 536 C CYS A 439 1.932 1.482 -14.344 1.00 0.00 C ATOM 537 O CYS A 439 1.126 2.276 -13.849 1.00 0.00 O ATOM 538 CB CYS A 439 3.994 2.446 -15.411 1.00 0.00 C ATOM 539 SG CYS A 439 4.764 2.033 -13.819 1.00 0.00 S ATOM 0 H CYS A 439 1.346 3.392 -16.075 1.00 0.00 H new ATOM 0 HA CYS A 439 2.787 0.831 -16.179 1.00 0.00 H new ATOM 0 HB2 CYS A 439 4.677 2.162 -16.212 1.00 0.00 H new ATOM 0 HB3 CYS A 439 3.869 3.527 -15.467 1.00 0.00 H new ATOM 0 HG CYS A 439 5.337 0.869 -13.903 1.00 0.00 H new ATOM 544 N GLY A 440 2.271 0.325 -13.781 1.00 0.00 N ATOM 545 CA GLY A 440 1.706 -0.103 -12.516 1.00 0.00 C ATOM 546 C GLY A 440 2.664 -0.981 -11.729 1.00 0.00 C ATOM 547 O GLY A 440 2.889 -2.138 -12.084 1.00 0.00 O ATOM 0 H GLY A 440 2.938 -0.331 -14.187 1.00 0.00 H new ATOM 0 HA2 GLY A 440 1.446 0.773 -11.921 1.00 0.00 H new ATOM 0 HA3 GLY A 440 0.781 -0.650 -12.699 1.00 0.00 H new ATOM 551 N VAL A 441 3.231 -0.430 -10.659 1.00 0.00 N ATOM 552 CA VAL A 441 4.171 -1.166 -9.818 1.00 0.00 C ATOM 553 C VAL A 441 3.703 -1.165 -8.367 1.00 0.00 C ATOM 554 O VAL A 441 2.938 -0.294 -7.958 1.00 0.00 O ATOM 555 CB VAL A 441 5.592 -0.556 -9.901 1.00 0.00 C ATOM 556 CG1 VAL A 441 6.464 -1.011 -8.737 1.00 0.00 C ATOM 557 CG2 VAL A 441 6.244 -0.914 -11.222 1.00 0.00 C ATOM 0 H VAL A 441 3.055 0.527 -10.353 1.00 0.00 H new ATOM 0 HA VAL A 441 4.209 -2.191 -10.186 1.00 0.00 H new ATOM 0 HB VAL A 441 5.493 0.528 -9.838 1.00 0.00 H new ATOM 0 HG11 VAL A 441 7.454 -0.564 -8.827 1.00 0.00 H new ATOM 0 HG12 VAL A 441 6.009 -0.698 -7.797 1.00 0.00 H new ATOM 0 HG13 VAL A 441 6.554 -2.097 -8.752 1.00 0.00 H new ATOM 0 HG21 VAL A 441 7.242 -0.478 -11.265 1.00 0.00 H new ATOM 0 HG22 VAL A 441 6.317 -1.998 -11.310 1.00 0.00 H new ATOM 0 HG23 VAL A 441 5.642 -0.524 -12.043 1.00 0.00 H new ATOM 567 N ARG A 442 4.160 -2.142 -7.592 1.00 0.00 N ATOM 568 CA ARG A 442 3.778 -2.236 -6.189 1.00 0.00 C ATOM 569 C ARG A 442 5.005 -2.413 -5.298 1.00 0.00 C ATOM 570 O ARG A 442 6.061 -2.848 -5.759 1.00 0.00 O ATOM 571 CB ARG A 442 2.813 -3.406 -5.981 1.00 0.00 C ATOM 572 CG ARG A 442 1.352 -3.026 -6.141 1.00 0.00 C ATOM 573 CD ARG A 442 0.514 -4.212 -6.589 1.00 0.00 C ATOM 574 NE ARG A 442 -0.835 -4.170 -6.032 1.00 0.00 N ATOM 575 CZ ARG A 442 -1.731 -5.142 -6.186 1.00 0.00 C ATOM 576 NH1 ARG A 442 -1.418 -6.240 -6.861 1.00 0.00 N ATOM 577 NH2 ARG A 442 -2.941 -5.018 -5.659 1.00 0.00 N ATOM 0 H ARG A 442 4.792 -2.877 -7.910 1.00 0.00 H new ATOM 0 HA ARG A 442 3.282 -1.306 -5.912 1.00 0.00 H new ATOM 0 HB2 ARG A 442 3.054 -4.196 -6.693 1.00 0.00 H new ATOM 0 HB3 ARG A 442 2.965 -3.818 -4.984 1.00 0.00 H new ATOM 0 HG2 ARG A 442 0.968 -2.645 -5.195 1.00 0.00 H new ATOM 0 HG3 ARG A 442 1.262 -2.220 -6.869 1.00 0.00 H new ATOM 0 HD2 ARG A 442 0.457 -4.225 -7.677 1.00 0.00 H new ATOM 0 HD3 ARG A 442 1.003 -5.137 -6.285 1.00 0.00 H new ATOM 0 HE ARG A 442 -1.107 -3.348 -5.493 1.00 0.00 H new ATOM 0 HH11 ARG A 442 -0.487 -6.342 -7.265 1.00 0.00 H new ATOM 0 HH12 ARG A 442 -2.108 -6.982 -6.976 1.00 0.00 H new ATOM 0 HH21 ARG A 442 -3.186 -4.178 -5.135 1.00 0.00 H new ATOM 0 HH22 ARG A 442 -3.628 -5.763 -5.777 1.00 0.00 H new ATOM 591 N LYS A 443 4.856 -2.081 -4.020 1.00 0.00 N ATOM 592 CA LYS A 443 5.946 -2.208 -3.060 1.00 0.00 C ATOM 593 C LYS A 443 5.398 -2.398 -1.648 1.00 0.00 C ATOM 594 O LYS A 443 4.256 -2.038 -1.359 1.00 0.00 O ATOM 595 CB LYS A 443 6.863 -0.981 -3.122 1.00 0.00 C ATOM 596 CG LYS A 443 6.216 0.295 -2.619 1.00 0.00 C ATOM 597 CD LYS A 443 7.235 1.218 -1.972 1.00 0.00 C ATOM 598 CE LYS A 443 6.730 2.650 -1.911 1.00 0.00 C ATOM 599 NZ LYS A 443 7.845 3.635 -1.955 1.00 0.00 N ATOM 0 H LYS A 443 3.988 -1.721 -3.624 1.00 0.00 H new ATOM 0 HA LYS A 443 6.533 -3.089 -3.321 1.00 0.00 H new ATOM 0 HB2 LYS A 443 7.759 -1.179 -2.534 1.00 0.00 H new ATOM 0 HB3 LYS A 443 7.185 -0.832 -4.153 1.00 0.00 H new ATOM 0 HG2 LYS A 443 5.732 0.810 -3.449 1.00 0.00 H new ATOM 0 HG3 LYS A 443 5.436 0.049 -1.898 1.00 0.00 H new ATOM 0 HD2 LYS A 443 7.458 0.866 -0.965 1.00 0.00 H new ATOM 0 HD3 LYS A 443 8.168 1.184 -2.535 1.00 0.00 H new ATOM 0 HE2 LYS A 443 6.052 2.832 -2.745 1.00 0.00 H new ATOM 0 HE3 LYS A 443 6.155 2.793 -0.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 7.472 4.570 -2.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 8.296 3.691 -1.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 8.547 3.333 -2.660 1.00 0.00 H new ATOM 613 N HIS A 444 6.219 -2.969 -0.771 1.00 0.00 N ATOM 614 CA HIS A 444 5.814 -3.211 0.610 1.00 0.00 C ATOM 615 C HIS A 444 6.607 -2.339 1.576 1.00 0.00 C ATOM 616 O HIS A 444 7.794 -2.097 1.374 1.00 0.00 O ATOM 617 CB HIS A 444 6.002 -4.687 0.967 1.00 0.00 C ATOM 618 CG HIS A 444 4.893 -5.566 0.481 1.00 0.00 C ATOM 619 ND1 HIS A 444 4.859 -6.102 -0.789 1.00 0.00 N ATOM 620 CD2 HIS A 444 3.770 -6.000 1.101 1.00 0.00 C ATOM 621 CE1 HIS A 444 3.763 -6.827 -0.930 1.00 0.00 C ATOM 622 NE2 HIS A 444 3.087 -6.783 0.203 1.00 0.00 N ATOM 0 H HIS A 444 7.167 -3.272 -0.992 1.00 0.00 H new ATOM 0 HA HIS A 444 4.759 -2.951 0.701 1.00 0.00 H new ATOM 0 HB2 HIS A 444 6.944 -5.037 0.545 1.00 0.00 H new ATOM 0 HB3 HIS A 444 6.083 -4.783 2.050 1.00 0.00 H new ATOM 0 HD1 HIS A 444 5.569 -5.961 -1.508 1.00 0.00 H new ATOM 0 HD2 HIS A 444 3.468 -5.773 2.113 1.00 0.00 H new ATOM 0 HE1 HIS A 444 3.470 -7.364 -1.820 1.00 0.00 H new ATOM 631 N VAL A 445 5.940 -1.866 2.623 1.00 0.00 N ATOM 632 CA VAL A 445 6.586 -1.016 3.617 1.00 0.00 C ATOM 633 C VAL A 445 6.364 -1.551 5.030 1.00 0.00 C ATOM 634 O VAL A 445 5.227 -1.702 5.476 1.00 0.00 O ATOM 635 CB VAL A 445 6.052 0.428 3.528 1.00 0.00 C ATOM 636 CG1 VAL A 445 6.779 1.344 4.498 1.00 0.00 C ATOM 637 CG2 VAL A 445 6.176 0.949 2.104 1.00 0.00 C ATOM 0 H VAL A 445 4.955 -2.056 2.805 1.00 0.00 H new ATOM 0 HA VAL A 445 7.655 -1.020 3.404 1.00 0.00 H new ATOM 0 HB VAL A 445 4.998 0.418 3.807 1.00 0.00 H new ATOM 0 HG11 VAL A 445 6.381 2.355 4.412 1.00 0.00 H new ATOM 0 HG12 VAL A 445 6.636 0.983 5.516 1.00 0.00 H new ATOM 0 HG13 VAL A 445 7.843 1.352 4.262 1.00 0.00 H new ATOM 0 HG21 VAL A 445 5.795 1.969 2.055 1.00 0.00 H new ATOM 0 HG22 VAL A 445 7.223 0.938 1.802 1.00 0.00 H new ATOM 0 HG23 VAL A 445 5.598 0.314 1.433 1.00 0.00 H new ATOM 647 N GLU A 446 7.461 -1.842 5.728 1.00 0.00 N ATOM 648 CA GLU A 446 7.391 -2.368 7.088 1.00 0.00 C ATOM 649 C GLU A 446 8.419 -1.691 7.993 1.00 0.00 C ATOM 650 O GLU A 446 9.458 -1.228 7.525 1.00 0.00 O ATOM 651 CB GLU A 446 7.634 -3.880 7.083 1.00 0.00 C ATOM 652 CG GLU A 446 6.429 -4.693 6.645 1.00 0.00 C ATOM 653 CD GLU A 446 6.365 -4.881 5.142 1.00 0.00 C ATOM 654 OE1 GLU A 446 7.131 -5.715 4.616 1.00 0.00 O ATOM 655 OE2 GLU A 446 5.549 -4.195 4.491 1.00 0.00 O ATOM 0 H GLU A 446 8.409 -1.722 5.372 1.00 0.00 H new ATOM 0 HA GLU A 446 6.394 -2.160 7.476 1.00 0.00 H new ATOM 0 HB2 GLU A 446 8.471 -4.102 6.420 1.00 0.00 H new ATOM 0 HB3 GLU A 446 7.928 -4.195 8.084 1.00 0.00 H new ATOM 0 HG2 GLU A 446 6.460 -5.670 7.128 1.00 0.00 H new ATOM 0 HG3 GLU A 446 5.519 -4.198 6.984 1.00 0.00 H new ATOM 662 N ARG A 447 8.121 -1.640 9.287 1.00 0.00 N ATOM 663 CA ARG A 447 9.022 -1.021 10.256 1.00 0.00 C ATOM 664 C ARG A 447 9.806 -2.080 11.029 1.00 0.00 C ATOM 665 O ARG A 447 9.222 -2.907 11.732 1.00 0.00 O ATOM 666 CB ARG A 447 8.234 -0.143 11.227 1.00 0.00 C ATOM 667 CG ARG A 447 7.683 1.126 10.592 1.00 0.00 C ATOM 668 CD ARG A 447 6.164 1.097 10.504 1.00 0.00 C ATOM 669 NE ARG A 447 5.688 1.348 9.147 1.00 0.00 N ATOM 670 CZ ARG A 447 5.849 2.506 8.509 1.00 0.00 C ATOM 671 NH1 ARG A 447 6.476 3.515 9.102 1.00 0.00 N ATOM 672 NH2 ARG A 447 5.383 2.656 7.278 1.00 0.00 N ATOM 0 H ARG A 447 7.264 -2.019 9.690 1.00 0.00 H new ATOM 0 HA ARG A 447 9.731 -0.400 9.709 1.00 0.00 H new ATOM 0 HB2 ARG A 447 7.407 -0.722 11.638 1.00 0.00 H new ATOM 0 HB3 ARG A 447 8.879 0.129 12.063 1.00 0.00 H new ATOM 0 HG2 ARG A 447 7.997 1.991 11.176 1.00 0.00 H new ATOM 0 HG3 ARG A 447 8.103 1.245 9.593 1.00 0.00 H new ATOM 0 HD2 ARG A 447 5.800 0.127 10.842 1.00 0.00 H new ATOM 0 HD3 ARG A 447 5.748 1.846 11.178 1.00 0.00 H new ATOM 0 HE ARG A 447 5.205 0.594 8.660 1.00 0.00 H new ATOM 0 HH11 ARG A 447 6.837 3.405 10.050 1.00 0.00 H new ATOM 0 HH12 ARG A 447 6.597 4.400 8.610 1.00 0.00 H new ATOM 0 HH21 ARG A 447 4.900 1.884 6.818 1.00 0.00 H new ATOM 0 HH22 ARG A 447 5.507 3.543 6.790 1.00 0.00 H new ATOM 686 N ALA A 448 11.129 -2.055 10.877 1.00 0.00 N ATOM 687 CA ALA A 448 12.017 -3.012 11.540 1.00 0.00 C ATOM 688 C ALA A 448 11.567 -3.355 12.959 1.00 0.00 C ATOM 689 O ALA A 448 11.248 -2.474 13.759 1.00 0.00 O ATOM 690 CB ALA A 448 13.439 -2.472 11.562 1.00 0.00 C ATOM 0 H ALA A 448 11.615 -1.374 10.294 1.00 0.00 H new ATOM 0 HA ALA A 448 11.977 -3.935 10.962 1.00 0.00 H new ATOM 0 HB1 ALA A 448 14.093 -3.190 12.057 1.00 0.00 H new ATOM 0 HB2 ALA A 448 13.783 -2.312 10.540 1.00 0.00 H new ATOM 0 HB3 ALA A 448 13.461 -1.527 12.105 1.00 0.00 H new ATOM 696 N ALA A 449 11.540 -4.652 13.254 1.00 0.00 N ATOM 697 CA ALA A 449 11.130 -5.145 14.566 1.00 0.00 C ATOM 698 C ALA A 449 12.082 -4.689 15.671 1.00 0.00 C ATOM 699 O ALA A 449 11.768 -4.809 16.854 1.00 0.00 O ATOM 700 CB ALA A 449 11.038 -6.664 14.557 1.00 0.00 C ATOM 0 H ALA A 449 11.800 -5.386 12.596 1.00 0.00 H new ATOM 0 HA ALA A 449 10.147 -4.723 14.777 1.00 0.00 H new ATOM 0 HB1 ALA A 449 10.731 -7.016 15.542 1.00 0.00 H new ATOM 0 HB2 ALA A 449 10.305 -6.980 13.815 1.00 0.00 H new ATOM 0 HB3 ALA A 449 12.012 -7.086 14.308 1.00 0.00 H new ATOM 706 N THR A 450 13.245 -4.169 15.286 1.00 0.00 N ATOM 707 CA THR A 450 14.227 -3.705 16.260 1.00 0.00 C ATOM 708 C THR A 450 14.553 -2.227 16.059 1.00 0.00 C ATOM 709 O THR A 450 15.604 -1.752 16.491 1.00 0.00 O ATOM 710 CB THR A 450 15.528 -4.525 16.176 1.00 0.00 C ATOM 711 OG1 THR A 450 15.702 -5.036 14.848 1.00 0.00 O ATOM 712 CG2 THR A 450 15.502 -5.680 17.166 1.00 0.00 C ATOM 0 H THR A 450 13.528 -4.059 14.312 1.00 0.00 H new ATOM 0 HA THR A 450 13.782 -3.841 17.246 1.00 0.00 H new ATOM 0 HB THR A 450 16.362 -3.868 16.425 1.00 0.00 H new ATOM 0 HG1 THR A 450 16.532 -5.555 14.803 1.00 0.00 H new ATOM 0 HG21 THR A 450 16.431 -6.246 17.090 1.00 0.00 H new ATOM 0 HG22 THR A 450 15.397 -5.289 18.178 1.00 0.00 H new ATOM 0 HG23 THR A 450 14.659 -6.334 16.940 1.00 0.00 H new ATOM 720 N ASP A 451 13.650 -1.505 15.405 1.00 0.00 N ATOM 721 CA ASP A 451 13.847 -0.083 15.150 1.00 0.00 C ATOM 722 C ASP A 451 12.621 0.518 14.466 1.00 0.00 C ATOM 723 O ASP A 451 12.461 0.399 13.251 1.00 0.00 O ATOM 724 CB ASP A 451 15.088 0.135 14.283 1.00 0.00 C ATOM 725 CG ASP A 451 15.710 1.499 14.499 1.00 0.00 C ATOM 726 OD1 ASP A 451 15.434 2.119 15.548 1.00 0.00 O ATOM 727 OD2 ASP A 451 16.474 1.950 13.619 1.00 0.00 O ATOM 0 H ASP A 451 12.774 -1.881 15.042 1.00 0.00 H new ATOM 0 HA ASP A 451 13.991 0.418 16.107 1.00 0.00 H new ATOM 0 HB2 ASP A 451 15.824 -0.637 14.507 1.00 0.00 H new ATOM 0 HB3 ASP A 451 14.818 0.024 13.233 1.00 0.00 H new ATOM 732 N PRO A 452 11.732 1.171 15.236 1.00 0.00 N ATOM 733 CA PRO A 452 10.516 1.785 14.690 1.00 0.00 C ATOM 734 C PRO A 452 10.818 2.956 13.758 1.00 0.00 C ATOM 735 O PRO A 452 9.939 3.424 13.035 1.00 0.00 O ATOM 736 CB PRO A 452 9.765 2.270 15.933 1.00 0.00 C ATOM 737 CG PRO A 452 10.814 2.425 16.978 1.00 0.00 C ATOM 738 CD PRO A 452 11.838 1.362 16.696 1.00 0.00 C ATOM 0 HA PRO A 452 9.948 1.080 14.083 1.00 0.00 H new ATOM 0 HB2 PRO A 452 9.254 3.214 15.743 1.00 0.00 H new ATOM 0 HB3 PRO A 452 9.004 1.552 16.240 1.00 0.00 H new ATOM 0 HG2 PRO A 452 11.261 3.418 16.938 1.00 0.00 H new ATOM 0 HG3 PRO A 452 10.392 2.305 17.976 1.00 0.00 H new ATOM 0 HD2 PRO A 452 12.839 1.679 16.989 1.00 0.00 H new ATOM 0 HD3 PRO A 452 11.623 0.442 17.239 1.00 0.00 H new ATOM 746 N LYS A 453 12.062 3.426 13.778 1.00 0.00 N ATOM 747 CA LYS A 453 12.466 4.543 12.929 1.00 0.00 C ATOM 748 C LYS A 453 12.973 4.048 11.574 1.00 0.00 C ATOM 749 O LYS A 453 13.043 4.816 10.614 1.00 0.00 O ATOM 750 CB LYS A 453 13.545 5.380 13.625 1.00 0.00 C ATOM 751 CG LYS A 453 14.923 4.739 13.624 1.00 0.00 C ATOM 752 CD LYS A 453 15.975 5.680 14.190 1.00 0.00 C ATOM 753 CE LYS A 453 16.338 5.314 15.621 1.00 0.00 C ATOM 754 NZ LYS A 453 17.321 4.197 15.675 1.00 0.00 N ATOM 0 H LYS A 453 12.805 3.053 14.370 1.00 0.00 H new ATOM 0 HA LYS A 453 11.591 5.169 12.757 1.00 0.00 H new ATOM 0 HB2 LYS A 453 13.608 6.352 13.136 1.00 0.00 H new ATOM 0 HB3 LYS A 453 13.241 5.561 14.656 1.00 0.00 H new ATOM 0 HG2 LYS A 453 14.899 3.822 14.212 1.00 0.00 H new ATOM 0 HG3 LYS A 453 15.194 4.458 12.606 1.00 0.00 H new ATOM 0 HD2 LYS A 453 16.869 5.646 13.567 1.00 0.00 H new ATOM 0 HD3 LYS A 453 15.603 6.704 14.158 1.00 0.00 H new ATOM 0 HE2 LYS A 453 16.752 6.187 16.125 1.00 0.00 H new ATOM 0 HE3 LYS A 453 15.436 5.031 16.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 18.008 4.375 16.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 16.822 3.304 15.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 17.821 4.130 14.766 1.00 0.00 H new ATOM 768 N ALA A 454 13.319 2.765 11.498 1.00 0.00 N ATOM 769 CA ALA A 454 13.811 2.178 10.257 1.00 0.00 C ATOM 770 C ALA A 454 12.681 1.486 9.504 1.00 0.00 C ATOM 771 O ALA A 454 11.876 0.768 10.099 1.00 0.00 O ATOM 772 CB ALA A 454 14.936 1.197 10.546 1.00 0.00 C ATOM 0 H ALA A 454 13.267 2.114 12.281 1.00 0.00 H new ATOM 0 HA ALA A 454 14.200 2.979 9.628 1.00 0.00 H new ATOM 0 HB1 ALA A 454 15.293 0.767 9.610 1.00 0.00 H new ATOM 0 HB2 ALA A 454 15.755 1.718 11.042 1.00 0.00 H new ATOM 0 HB3 ALA A 454 14.568 0.401 11.194 1.00 0.00 H new ATOM 778 N VAL A 455 12.617 1.712 8.196 1.00 0.00 N ATOM 779 CA VAL A 455 11.571 1.116 7.372 1.00 0.00 C ATOM 780 C VAL A 455 12.155 0.264 6.249 1.00 0.00 C ATOM 781 O VAL A 455 13.198 0.588 5.683 1.00 0.00 O ATOM 782 CB VAL A 455 10.665 2.198 6.758 1.00 0.00 C ATOM 783 CG1 VAL A 455 9.457 1.567 6.084 1.00 0.00 C ATOM 784 CG2 VAL A 455 10.232 3.198 7.820 1.00 0.00 C ATOM 0 H VAL A 455 13.274 2.301 7.685 1.00 0.00 H new ATOM 0 HA VAL A 455 10.981 0.478 8.030 1.00 0.00 H new ATOM 0 HB VAL A 455 11.235 2.733 5.999 1.00 0.00 H new ATOM 0 HG11 VAL A 455 8.829 2.349 5.656 1.00 0.00 H new ATOM 0 HG12 VAL A 455 9.791 0.896 5.292 1.00 0.00 H new ATOM 0 HG13 VAL A 455 8.883 1.003 6.819 1.00 0.00 H new ATOM 0 HG21 VAL A 455 9.592 3.955 7.367 1.00 0.00 H new ATOM 0 HG22 VAL A 455 9.681 2.680 8.605 1.00 0.00 H new ATOM 0 HG23 VAL A 455 11.112 3.676 8.250 1.00 0.00 H new ATOM 794 N VAL A 456 11.458 -0.821 5.921 1.00 0.00 N ATOM 795 CA VAL A 456 11.885 -1.719 4.853 1.00 0.00 C ATOM 796 C VAL A 456 11.019 -1.499 3.615 1.00 0.00 C ATOM 797 O VAL A 456 9.808 -1.322 3.727 1.00 0.00 O ATOM 798 CB VAL A 456 11.817 -3.208 5.286 1.00 0.00 C ATOM 799 CG1 VAL A 456 12.127 -3.353 6.768 1.00 0.00 C ATOM 800 CG2 VAL A 456 10.458 -3.818 4.968 1.00 0.00 C ATOM 0 H VAL A 456 10.592 -1.100 6.382 1.00 0.00 H new ATOM 0 HA VAL A 456 12.925 -1.489 4.623 1.00 0.00 H new ATOM 0 HB VAL A 456 12.572 -3.751 4.716 1.00 0.00 H new ATOM 0 HG11 VAL A 456 12.074 -4.405 7.050 1.00 0.00 H new ATOM 0 HG12 VAL A 456 13.129 -2.974 6.969 1.00 0.00 H new ATOM 0 HG13 VAL A 456 11.401 -2.785 7.349 1.00 0.00 H new ATOM 0 HG21 VAL A 456 10.444 -4.861 5.284 1.00 0.00 H new ATOM 0 HG22 VAL A 456 9.680 -3.268 5.497 1.00 0.00 H new ATOM 0 HG23 VAL A 456 10.276 -3.762 3.895 1.00 0.00 H new ATOM 810 N THR A 457 11.634 -1.514 2.436 1.00 0.00 N ATOM 811 CA THR A 457 10.882 -1.317 1.204 1.00 0.00 C ATOM 812 C THR A 457 11.244 -2.339 0.133 1.00 0.00 C ATOM 813 O THR A 457 12.407 -2.475 -0.248 1.00 0.00 O ATOM 814 CB THR A 457 11.082 0.096 0.631 1.00 0.00 C ATOM 815 OG1 THR A 457 11.377 1.019 1.687 1.00 0.00 O ATOM 816 CG2 THR A 457 9.833 0.550 -0.112 1.00 0.00 C ATOM 0 H THR A 457 12.636 -1.658 2.309 1.00 0.00 H new ATOM 0 HA THR A 457 9.835 -1.451 1.476 1.00 0.00 H new ATOM 0 HB THR A 457 11.919 0.070 -0.067 1.00 0.00 H new ATOM 0 HG1 THR A 457 11.504 1.915 1.312 1.00 0.00 H new ATOM 0 HG21 THR A 457 9.991 1.552 -0.511 1.00 0.00 H new ATOM 0 HG22 THR A 457 9.626 -0.139 -0.931 1.00 0.00 H new ATOM 0 HG23 THR A 457 8.986 0.562 0.574 1.00 0.00 H new ATOM 824 N THR A 458 10.231 -3.034 -0.367 1.00 0.00 N ATOM 825 CA THR A 458 10.420 -4.023 -1.421 1.00 0.00 C ATOM 826 C THR A 458 9.701 -3.565 -2.684 1.00 0.00 C ATOM 827 O THR A 458 8.520 -3.235 -2.641 1.00 0.00 O ATOM 828 CB THR A 458 9.885 -5.407 -1.006 1.00 0.00 C ATOM 829 OG1 THR A 458 9.885 -5.526 0.421 1.00 0.00 O ATOM 830 CG2 THR A 458 10.730 -6.519 -1.612 1.00 0.00 C ATOM 0 H THR A 458 9.265 -2.930 -0.058 1.00 0.00 H new ATOM 0 HA THR A 458 11.490 -4.114 -1.606 1.00 0.00 H new ATOM 0 HB THR A 458 8.865 -5.503 -1.378 1.00 0.00 H new ATOM 0 HG1 THR A 458 9.542 -6.408 0.676 1.00 0.00 H new ATOM 0 HG21 THR A 458 10.333 -7.486 -1.305 1.00 0.00 H new ATOM 0 HG22 THR A 458 10.704 -6.445 -2.699 1.00 0.00 H new ATOM 0 HG23 THR A 458 11.759 -6.423 -1.267 1.00 0.00 H new ATOM 838 N TYR A 459 10.417 -3.525 -3.801 1.00 0.00 N ATOM 839 CA TYR A 459 9.826 -3.078 -5.057 1.00 0.00 C ATOM 840 C TYR A 459 9.468 -4.249 -5.965 1.00 0.00 C ATOM 841 O TYR A 459 10.325 -5.056 -6.326 1.00 0.00 O ATOM 842 CB TYR A 459 10.777 -2.127 -5.783 1.00 0.00 C ATOM 843 CG TYR A 459 10.670 -0.695 -5.309 1.00 0.00 C ATOM 844 CD1 TYR A 459 10.653 -0.395 -3.954 1.00 0.00 C ATOM 845 CD2 TYR A 459 10.589 0.354 -6.216 1.00 0.00 C ATOM 846 CE1 TYR A 459 10.557 0.912 -3.514 1.00 0.00 C ATOM 847 CE2 TYR A 459 10.493 1.664 -5.784 1.00 0.00 C ATOM 848 CZ TYR A 459 10.478 1.937 -4.433 1.00 0.00 C ATOM 849 OH TYR A 459 10.383 3.239 -3.999 1.00 0.00 O ATOM 0 H TYR A 459 11.399 -3.794 -3.864 1.00 0.00 H new ATOM 0 HA TYR A 459 8.903 -2.551 -4.813 1.00 0.00 H new ATOM 0 HB2 TYR A 459 11.801 -2.473 -5.644 1.00 0.00 H new ATOM 0 HB3 TYR A 459 10.570 -2.165 -6.853 1.00 0.00 H new ATOM 0 HD1 TYR A 459 10.716 -1.196 -3.232 1.00 0.00 H new ATOM 0 HD2 TYR A 459 10.601 0.143 -7.275 1.00 0.00 H new ATOM 0 HE1 TYR A 459 10.544 1.129 -2.456 1.00 0.00 H new ATOM 0 HE2 TYR A 459 10.430 2.469 -6.501 1.00 0.00 H new ATOM 0 HH TYR A 459 10.337 3.839 -4.772 1.00 0.00 H new ATOM 859 N GLU A 460 8.193 -4.325 -6.333 1.00 0.00 N ATOM 860 CA GLU A 460 7.707 -5.384 -7.207 1.00 0.00 C ATOM 861 C GLU A 460 7.105 -4.794 -8.479 1.00 0.00 C ATOM 862 O GLU A 460 6.004 -4.246 -8.459 1.00 0.00 O ATOM 863 CB GLU A 460 6.662 -6.232 -6.479 1.00 0.00 C ATOM 864 CG GLU A 460 7.203 -6.935 -5.245 1.00 0.00 C ATOM 865 CD GLU A 460 6.601 -6.404 -3.958 1.00 0.00 C ATOM 866 OE1 GLU A 460 5.394 -6.081 -3.958 1.00 0.00 O ATOM 867 OE2 GLU A 460 7.335 -6.314 -2.952 1.00 0.00 O ATOM 0 H GLU A 460 7.476 -3.662 -6.037 1.00 0.00 H new ATOM 0 HA GLU A 460 8.550 -6.018 -7.482 1.00 0.00 H new ATOM 0 HB2 GLU A 460 5.828 -5.594 -6.187 1.00 0.00 H new ATOM 0 HB3 GLU A 460 6.267 -6.978 -7.168 1.00 0.00 H new ATOM 0 HG2 GLU A 460 7.001 -8.003 -5.322 1.00 0.00 H new ATOM 0 HG3 GLU A 460 8.286 -6.817 -5.210 1.00 0.00 H new ATOM 874 N GLY A 461 7.836 -4.912 -9.583 1.00 0.00 N ATOM 875 CA GLY A 461 7.356 -4.385 -10.848 1.00 0.00 C ATOM 876 C GLY A 461 8.228 -3.265 -11.385 1.00 0.00 C ATOM 877 O GLY A 461 8.656 -2.387 -10.636 1.00 0.00 O ATOM 0 H GLY A 461 8.750 -5.362 -9.625 1.00 0.00 H new ATOM 0 HA2 GLY A 461 7.315 -5.191 -11.581 1.00 0.00 H new ATOM 0 HA3 GLY A 461 6.338 -4.018 -10.721 1.00 0.00 H new ATOM 881 N LYS A 462 8.488 -3.297 -12.689 1.00 0.00 N ATOM 882 CA LYS A 462 9.312 -2.281 -13.334 1.00 0.00 C ATOM 883 C LYS A 462 8.465 -1.082 -13.760 1.00 0.00 C ATOM 884 O LYS A 462 7.294 -1.231 -14.108 1.00 0.00 O ATOM 885 CB LYS A 462 10.023 -2.878 -14.552 1.00 0.00 C ATOM 886 CG LYS A 462 10.919 -1.892 -15.288 1.00 0.00 C ATOM 887 CD LYS A 462 10.325 -1.488 -16.628 1.00 0.00 C ATOM 888 CE LYS A 462 11.325 -0.709 -17.468 1.00 0.00 C ATOM 889 NZ LYS A 462 10.675 0.401 -18.219 1.00 0.00 N ATOM 0 H LYS A 462 8.139 -4.018 -13.321 1.00 0.00 H new ATOM 0 HA LYS A 462 10.056 -1.938 -12.616 1.00 0.00 H new ATOM 0 HB2 LYS A 462 10.624 -3.728 -14.229 1.00 0.00 H new ATOM 0 HB3 LYS A 462 9.275 -3.261 -15.246 1.00 0.00 H new ATOM 0 HG2 LYS A 462 11.067 -1.005 -14.673 1.00 0.00 H new ATOM 0 HG3 LYS A 462 11.901 -2.339 -15.444 1.00 0.00 H new ATOM 0 HD2 LYS A 462 10.008 -2.379 -17.170 1.00 0.00 H new ATOM 0 HD3 LYS A 462 9.435 -0.881 -16.464 1.00 0.00 H new ATOM 0 HE2 LYS A 462 12.103 -0.303 -16.822 1.00 0.00 H new ATOM 0 HE3 LYS A 462 11.814 -1.385 -18.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 462 11.391 0.907 -18.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 462 9.950 0.012 -18.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 462 10.230 1.060 -17.549 1.00 0.00 H new ATOM 903 N HIS A 463 9.067 0.104 -13.735 1.00 0.00 N ATOM 904 CA HIS A 463 8.367 1.324 -14.123 1.00 0.00 C ATOM 905 C HIS A 463 8.486 1.556 -15.625 1.00 0.00 C ATOM 906 O HIS A 463 9.588 1.614 -16.170 1.00 0.00 O ATOM 907 CB HIS A 463 8.923 2.527 -13.358 1.00 0.00 C ATOM 908 CG HIS A 463 8.708 2.442 -11.879 1.00 0.00 C ATOM 909 ND1 HIS A 463 7.463 2.528 -11.290 1.00 0.00 N ATOM 910 CD2 HIS A 463 9.589 2.273 -10.863 1.00 0.00 C ATOM 911 CE1 HIS A 463 7.587 2.414 -9.979 1.00 0.00 C ATOM 912 NE2 HIS A 463 8.866 2.259 -9.696 1.00 0.00 N ATOM 0 H HIS A 463 10.036 0.246 -13.451 1.00 0.00 H new ATOM 0 HA HIS A 463 7.313 1.207 -13.872 1.00 0.00 H new ATOM 0 HB2 HIS A 463 9.991 2.613 -13.558 1.00 0.00 H new ATOM 0 HB3 HIS A 463 8.454 3.436 -13.734 1.00 0.00 H new ATOM 0 HD2 HIS A 463 10.660 2.169 -10.954 1.00 0.00 H new ATOM 0 HE1 HIS A 463 6.780 2.443 -9.262 1.00 0.00 H new ATOM 0 HE2 HIS A 463 9.255 2.147 -8.760 1.00 0.00 H new ATOM 920 N ASN A 464 7.343 1.675 -16.291 1.00 0.00 N ATOM 921 CA ASN A 464 7.313 1.884 -17.734 1.00 0.00 C ATOM 922 C ASN A 464 6.968 3.332 -18.085 1.00 0.00 C ATOM 923 O ASN A 464 6.043 3.590 -18.856 1.00 0.00 O ATOM 924 CB ASN A 464 6.300 0.933 -18.376 1.00 0.00 C ATOM 925 CG ASN A 464 6.847 0.247 -19.612 1.00 0.00 C ATOM 926 OD1 ASN A 464 7.987 0.482 -20.014 1.00 0.00 O ATOM 927 ND2 ASN A 464 6.035 -0.607 -20.219 1.00 0.00 N ATOM 0 H ASN A 464 6.423 1.630 -15.853 1.00 0.00 H new ATOM 0 HA ASN A 464 8.309 1.675 -18.125 1.00 0.00 H new ATOM 0 HB2 ASN A 464 6.003 0.178 -17.648 1.00 0.00 H new ATOM 0 HB3 ASN A 464 5.402 1.490 -18.642 1.00 0.00 H new ATOM 0 HD21 ASN A 464 6.347 -1.101 -21.055 1.00 0.00 H new ATOM 0 HD22 ASN A 464 5.098 -0.770 -19.850 1.00 0.00 H new ATOM 934 N HIS A 465 7.717 4.275 -17.522 1.00 0.00 N ATOM 935 CA HIS A 465 7.487 5.689 -17.786 1.00 0.00 C ATOM 936 C HIS A 465 8.786 6.488 -17.574 1.00 0.00 C ATOM 937 O HIS A 465 9.805 6.187 -18.195 1.00 0.00 O ATOM 938 CB HIS A 465 6.333 6.206 -16.905 1.00 0.00 C ATOM 939 CG HIS A 465 6.496 5.913 -15.437 1.00 0.00 C ATOM 940 ND1 HIS A 465 6.891 6.857 -14.507 1.00 0.00 N ATOM 941 CD2 HIS A 465 6.310 4.767 -14.740 1.00 0.00 C ATOM 942 CE1 HIS A 465 6.943 6.303 -13.310 1.00 0.00 C ATOM 943 NE2 HIS A 465 6.594 5.034 -13.422 1.00 0.00 N ATOM 0 H HIS A 465 8.487 4.085 -16.881 1.00 0.00 H new ATOM 0 HA HIS A 465 7.192 5.825 -18.826 1.00 0.00 H new ATOM 0 HB2 HIS A 465 6.242 7.284 -17.041 1.00 0.00 H new ATOM 0 HB3 HIS A 465 5.400 5.762 -17.251 1.00 0.00 H new ATOM 0 HD2 HIS A 465 5.996 3.817 -15.146 1.00 0.00 H new ATOM 0 HE1 HIS A 465 7.223 6.803 -12.394 1.00 0.00 H new ATOM 0 HE2 HIS A 465 6.544 4.362 -12.656 1.00 0.00 H new