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 443 LYS NZ :NH3+ -133:sc= -0.0267 (180deg=-1.91!) USER MOD Set 1.2: A 459 TYR OH : rot -134:sc= 0.0188 USER MOD Set 2.1: A 434 CYS SG : rot 140:sc= -0.297 USER MOD Set 2.2: A 436 THR OG1 : rot -56:sc= 0.131! USER MOD Set 2.3: A 439 CYS SG : rot -97:sc= -1.21 USER MOD Set 2.4: A 463 HIS :FLIP no HD1:sc= -0.433 F(o=-11,f=-9) USER MOD Set 2.5: A 465 HIS : no HE2:sc= -7.19! C(o=-9!,f=-11!) 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 180:sc= 0 USER MOD Single : A 419 GLN : amide:sc= 0 X(o=0,f=-0.041) 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= -4.08! C(o=-4.1!,f=-13!) USER MOD Single : A 427 TYR OH : rot 30:sc= -0.955 USER MOD Single : A 430 SER OG : rot 180:sc= 0 USER MOD Single : A 431 TYR OH : rot 150:sc= 0 USER MOD Single : A 432 TYR OH : rot 180:sc= -1.16 USER MOD Single : A 433 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 435 THR OG1 : rot 180:sc= 0 USER MOD Single : A 444 HIS :FLIP no HE2:sc= -0.453 F(o=-1.3,f=-0.45) USER MOD Single : A 450 THR OG1 : rot 180:sc= 0.0683 USER MOD Single : A 453 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 X(o=0,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 70 N TYR A 412 7.223 9.414 -8.657 1.00 0.00 N ATOM 71 CA TYR A 412 5.974 8.772 -9.043 1.00 0.00 C ATOM 72 C TYR A 412 4.899 9.008 -7.984 1.00 0.00 C ATOM 73 O TYR A 412 5.095 9.789 -7.053 1.00 0.00 O ATOM 74 CB TYR A 412 6.208 7.272 -9.253 1.00 0.00 C ATOM 75 CG TYR A 412 7.254 6.967 -10.306 1.00 0.00 C ATOM 76 CD1 TYR A 412 7.451 7.818 -11.389 1.00 0.00 C ATOM 77 CD2 TYR A 412 8.045 5.829 -10.217 1.00 0.00 C ATOM 78 CE1 TYR A 412 8.404 7.543 -12.349 1.00 0.00 C ATOM 79 CE2 TYR A 412 9.002 5.548 -11.173 1.00 0.00 C ATOM 80 CZ TYR A 412 9.177 6.409 -12.237 1.00 0.00 C ATOM 81 OH TYR A 412 10.129 6.132 -13.191 1.00 0.00 O ATOM 0 HA TYR A 412 5.625 9.209 -9.979 1.00 0.00 H new ATOM 0 HB2 TYR A 412 6.514 6.824 -8.308 1.00 0.00 H new ATOM 0 HB3 TYR A 412 5.267 6.802 -9.539 1.00 0.00 H new ATOM 0 HD1 TYR A 412 6.848 8.709 -11.480 1.00 0.00 H new ATOM 0 HD2 TYR A 412 7.910 5.152 -9.386 1.00 0.00 H new ATOM 0 HE1 TYR A 412 8.543 8.214 -13.184 1.00 0.00 H new ATOM 0 HE2 TYR A 412 9.610 4.659 -11.088 1.00 0.00 H new ATOM 0 HH TYR A 412 10.587 5.296 -12.963 1.00 0.00 H new ATOM 91 N ARG A 413 3.768 8.324 -8.124 1.00 0.00 N ATOM 92 CA ARG A 413 2.672 8.457 -7.172 1.00 0.00 C ATOM 93 C ARG A 413 2.330 7.103 -6.563 1.00 0.00 C ATOM 94 O ARG A 413 2.156 6.118 -7.278 1.00 0.00 O ATOM 95 CB ARG A 413 1.442 9.060 -7.856 1.00 0.00 C ATOM 96 CG ARG A 413 1.057 10.426 -7.312 1.00 0.00 C ATOM 97 CD ARG A 413 0.301 11.245 -8.345 1.00 0.00 C ATOM 98 NE ARG A 413 1.185 12.150 -9.075 1.00 0.00 N ATOM 99 CZ ARG A 413 0.770 13.246 -9.703 1.00 0.00 C ATOM 100 NH1 ARG A 413 -0.516 13.575 -9.703 1.00 0.00 N ATOM 101 NH2 ARG A 413 1.644 14.016 -10.338 1.00 0.00 N ATOM 0 H ARG A 413 3.587 7.672 -8.887 1.00 0.00 H new ATOM 0 HA ARG A 413 2.987 9.127 -6.372 1.00 0.00 H new ATOM 0 HB2 ARG A 413 1.635 9.144 -8.925 1.00 0.00 H new ATOM 0 HB3 ARG A 413 0.599 8.379 -7.737 1.00 0.00 H new ATOM 0 HG2 ARG A 413 0.440 10.303 -6.421 1.00 0.00 H new ATOM 0 HG3 ARG A 413 1.955 10.963 -7.007 1.00 0.00 H new ATOM 0 HD2 ARG A 413 -0.194 10.575 -9.048 1.00 0.00 H new ATOM 0 HD3 ARG A 413 -0.481 11.822 -7.850 1.00 0.00 H new ATOM 0 HE ARG A 413 2.180 11.928 -9.105 1.00 0.00 H new ATOM 0 HH11 ARG A 413 -1.193 12.985 -9.219 1.00 0.00 H new ATOM 0 HH12 ARG A 413 -0.827 14.417 -10.187 1.00 0.00 H new ATOM 0 HH21 ARG A 413 2.633 13.767 -10.344 1.00 0.00 H new ATOM 0 HH22 ARG A 413 1.327 14.857 -10.820 1.00 0.00 H new ATOM 115 N TRP A 414 2.251 7.056 -5.237 1.00 0.00 N ATOM 116 CA TRP A 414 1.946 5.815 -4.535 1.00 0.00 C ATOM 117 C TRP A 414 0.706 5.960 -3.665 1.00 0.00 C ATOM 118 O TRP A 414 0.488 7.000 -3.043 1.00 0.00 O ATOM 119 CB TRP A 414 3.149 5.392 -3.694 1.00 0.00 C ATOM 120 CG TRP A 414 4.402 5.303 -4.504 1.00 0.00 C ATOM 121 CD1 TRP A 414 5.291 6.307 -4.760 1.00 0.00 C ATOM 122 CD2 TRP A 414 4.894 4.146 -5.186 1.00 0.00 C ATOM 123 NE1 TRP A 414 6.306 5.846 -5.562 1.00 0.00 N ATOM 124 CE2 TRP A 414 6.085 4.518 -5.835 1.00 0.00 C ATOM 125 CE3 TRP A 414 4.439 2.831 -5.307 1.00 0.00 C ATOM 126 CZ2 TRP A 414 6.828 3.618 -6.598 1.00 0.00 C ATOM 127 CZ3 TRP A 414 5.177 1.939 -6.062 1.00 0.00 C ATOM 128 CH2 TRP A 414 6.358 2.336 -6.699 1.00 0.00 C ATOM 0 H TRP A 414 2.394 7.862 -4.628 1.00 0.00 H new ATOM 0 HA TRP A 414 1.736 5.042 -5.275 1.00 0.00 H new ATOM 0 HB2 TRP A 414 3.293 6.107 -2.883 1.00 0.00 H new ATOM 0 HB3 TRP A 414 2.946 4.425 -3.234 1.00 0.00 H new ATOM 0 HD1 TRP A 414 5.208 7.317 -4.386 1.00 0.00 H new ATOM 0 HE1 TRP A 414 7.094 6.399 -5.899 1.00 0.00 H new ATOM 0 HE3 TRP A 414 3.528 2.517 -4.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 414 7.740 3.921 -7.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 414 4.837 0.919 -6.162 1.00 0.00 H new ATOM 0 HH2 TRP A 414 6.911 1.615 -7.283 1.00 0.00 H new ATOM 139 N ARG A 415 -0.113 4.914 -3.640 1.00 0.00 N ATOM 140 CA ARG A 415 -1.344 4.922 -2.862 1.00 0.00 C ATOM 141 C ARG A 415 -1.360 3.792 -1.831 1.00 0.00 C ATOM 142 O ARG A 415 -1.314 2.613 -2.183 1.00 0.00 O ATOM 143 CB ARG A 415 -2.545 4.804 -3.804 1.00 0.00 C ATOM 144 CG ARG A 415 -3.104 6.147 -4.247 1.00 0.00 C ATOM 145 CD ARG A 415 -4.588 6.055 -4.566 1.00 0.00 C ATOM 146 NE ARG A 415 -4.851 5.187 -5.711 1.00 0.00 N ATOM 147 CZ ARG A 415 -5.895 5.329 -6.529 1.00 0.00 C ATOM 148 NH1 ARG A 415 -6.762 6.318 -6.354 1.00 0.00 N ATOM 149 NH2 ARG A 415 -6.067 4.477 -7.531 1.00 0.00 N ATOM 0 H ARG A 415 0.055 4.048 -4.152 1.00 0.00 H new ATOM 0 HA ARG A 415 -1.402 5.864 -2.317 1.00 0.00 H new ATOM 0 HB2 ARG A 415 -2.251 4.234 -4.685 1.00 0.00 H new ATOM 0 HB3 ARG A 415 -3.333 4.238 -3.306 1.00 0.00 H new ATOM 0 HG2 ARG A 415 -2.945 6.886 -3.461 1.00 0.00 H new ATOM 0 HG3 ARG A 415 -2.563 6.495 -5.127 1.00 0.00 H new ATOM 0 HD2 ARG A 415 -5.123 5.677 -3.695 1.00 0.00 H new ATOM 0 HD3 ARG A 415 -4.977 7.052 -4.771 1.00 0.00 H new ATOM 0 HE ARG A 415 -4.197 4.427 -5.896 1.00 0.00 H new ATOM 0 HH11 ARG A 415 -6.634 6.979 -5.588 1.00 0.00 H new ATOM 0 HH12 ARG A 415 -7.557 6.417 -6.986 1.00 0.00 H new ATOM 0 HH21 ARG A 415 -5.402 3.717 -7.674 1.00 0.00 H new ATOM 0 HH22 ARG A 415 -6.864 4.582 -8.159 1.00 0.00 H new ATOM 163 N LYS A 416 -1.431 4.168 -0.555 1.00 0.00 N ATOM 164 CA LYS A 416 -1.462 3.202 0.544 1.00 0.00 C ATOM 165 C LYS A 416 -2.659 2.264 0.401 1.00 0.00 C ATOM 166 O LYS A 416 -3.686 2.648 -0.158 1.00 0.00 O ATOM 167 CB LYS A 416 -1.547 3.951 1.880 1.00 0.00 C ATOM 168 CG LYS A 416 -0.834 3.261 3.032 1.00 0.00 C ATOM 169 CD LYS A 416 -0.670 4.196 4.221 1.00 0.00 C ATOM 170 CE LYS A 416 -1.983 4.391 4.967 1.00 0.00 C ATOM 171 NZ LYS A 416 -2.317 5.833 5.134 1.00 0.00 N ATOM 0 H LYS A 416 -1.468 5.142 -0.255 1.00 0.00 H new ATOM 0 HA LYS A 416 -0.550 2.606 0.515 1.00 0.00 H new ATOM 0 HB2 LYS A 416 -1.125 4.948 1.752 1.00 0.00 H new ATOM 0 HB3 LYS A 416 -2.597 4.081 2.144 1.00 0.00 H new ATOM 0 HG2 LYS A 416 -1.398 2.379 3.335 1.00 0.00 H new ATOM 0 HG3 LYS A 416 0.145 2.915 2.701 1.00 0.00 H new ATOM 0 HD2 LYS A 416 0.079 3.792 4.902 1.00 0.00 H new ATOM 0 HD3 LYS A 416 -0.300 5.162 3.877 1.00 0.00 H new ATOM 0 HE2 LYS A 416 -2.786 3.893 4.425 1.00 0.00 H new ATOM 0 HE3 LYS A 416 -1.918 3.917 5.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 416 -3.217 5.924 5.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 416 -1.563 6.304 5.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 416 -2.404 6.280 4.199 1.00 0.00 H new ATOM 185 N TYR A 417 -2.537 1.041 0.921 1.00 0.00 N ATOM 186 CA TYR A 417 -3.645 0.093 0.842 1.00 0.00 C ATOM 187 C TYR A 417 -3.381 -1.217 1.591 1.00 0.00 C ATOM 188 O TYR A 417 -2.272 -1.766 1.572 1.00 0.00 O ATOM 189 CB TYR A 417 -4.005 -0.185 -0.626 1.00 0.00 C ATOM 190 CG TYR A 417 -3.294 -1.371 -1.243 1.00 0.00 C ATOM 191 CD1 TYR A 417 -3.836 -2.647 -1.163 1.00 0.00 C ATOM 192 CD2 TYR A 417 -2.088 -1.212 -1.913 1.00 0.00 C ATOM 193 CE1 TYR A 417 -3.193 -3.731 -1.730 1.00 0.00 C ATOM 194 CE2 TYR A 417 -1.440 -2.292 -2.482 1.00 0.00 C ATOM 195 CZ TYR A 417 -1.996 -3.549 -2.388 1.00 0.00 C ATOM 196 OH TYR A 417 -1.356 -4.627 -2.955 1.00 0.00 O ATOM 0 H TYR A 417 -1.702 0.691 1.391 1.00 0.00 H new ATOM 0 HA TYR A 417 -4.491 0.563 1.343 1.00 0.00 H new ATOM 0 HB2 TYR A 417 -5.080 -0.348 -0.697 1.00 0.00 H new ATOM 0 HB3 TYR A 417 -3.778 0.703 -1.215 1.00 0.00 H new ATOM 0 HD1 TYR A 417 -4.775 -2.795 -0.650 1.00 0.00 H new ATOM 0 HD2 TYR A 417 -1.649 -0.228 -1.991 1.00 0.00 H new ATOM 0 HE1 TYR A 417 -3.627 -4.717 -1.658 1.00 0.00 H new ATOM 0 HE2 TYR A 417 -0.502 -2.151 -2.998 1.00 0.00 H new ATOM 0 HH TYR A 417 -0.526 -4.328 -3.381 1.00 0.00 H new ATOM 206 N GLY A 418 -4.440 -1.704 2.238 1.00 0.00 N ATOM 207 CA GLY A 418 -4.380 -2.951 2.984 1.00 0.00 C ATOM 208 C GLY A 418 -3.616 -2.850 4.292 1.00 0.00 C ATOM 209 O GLY A 418 -2.502 -3.361 4.401 1.00 0.00 O ATOM 0 H GLY A 418 -5.352 -1.248 2.257 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -5.396 -3.287 3.193 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -3.914 -3.714 2.360 1.00 0.00 H new ATOM 213 N GLN A 419 -4.210 -2.201 5.293 1.00 0.00 N ATOM 214 CA GLN A 419 -3.562 -2.061 6.594 1.00 0.00 C ATOM 215 C GLN A 419 -3.650 -3.365 7.386 1.00 0.00 C ATOM 216 O GLN A 419 -4.735 -3.907 7.594 1.00 0.00 O ATOM 217 CB GLN A 419 -4.196 -0.920 7.391 1.00 0.00 C ATOM 218 CG GLN A 419 -3.208 -0.185 8.284 1.00 0.00 C ATOM 219 CD GLN A 419 -3.577 -0.258 9.753 1.00 0.00 C ATOM 220 OE1 GLN A 419 -3.782 -1.342 10.300 1.00 0.00 O ATOM 221 NE2 GLN A 419 -3.660 0.899 10.399 1.00 0.00 N ATOM 0 H GLN A 419 -5.131 -1.768 5.228 1.00 0.00 H new ATOM 0 HA GLN A 419 -2.511 -1.828 6.424 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -4.646 -0.209 6.698 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -5.002 -1.320 8.006 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -2.213 -0.608 8.142 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -3.157 0.860 7.978 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -3.482 1.773 9.905 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -3.902 0.914 11.390 1.00 0.00 H new ATOM 230 N LYS A 420 -2.494 -3.862 7.816 1.00 0.00 N ATOM 231 CA LYS A 420 -2.433 -5.107 8.579 1.00 0.00 C ATOM 232 C LYS A 420 -1.258 -5.104 9.551 1.00 0.00 C ATOM 233 O LYS A 420 -0.308 -4.345 9.386 1.00 0.00 O ATOM 234 CB LYS A 420 -2.317 -6.300 7.626 1.00 0.00 C ATOM 235 CG LYS A 420 -3.358 -7.379 7.870 1.00 0.00 C ATOM 236 CD LYS A 420 -2.800 -8.764 7.585 1.00 0.00 C ATOM 237 CE LYS A 420 -2.859 -9.094 6.103 1.00 0.00 C ATOM 238 NZ LYS A 420 -3.093 -10.545 5.861 1.00 0.00 N ATOM 0 H LYS A 420 -1.588 -3.424 7.650 1.00 0.00 H new ATOM 0 HA LYS A 420 -3.352 -5.192 9.158 1.00 0.00 H new ATOM 0 HB2 LYS A 420 -2.409 -5.944 6.600 1.00 0.00 H new ATOM 0 HB3 LYS A 420 -1.323 -6.737 7.724 1.00 0.00 H new ATOM 0 HG2 LYS A 420 -3.701 -7.329 8.904 1.00 0.00 H new ATOM 0 HG3 LYS A 420 -4.227 -7.198 7.237 1.00 0.00 H new ATOM 0 HD2 LYS A 420 -1.768 -8.820 7.930 1.00 0.00 H new ATOM 0 HD3 LYS A 420 -3.365 -9.508 8.147 1.00 0.00 H new ATOM 0 HE2 LYS A 420 -3.656 -8.516 5.635 1.00 0.00 H new ATOM 0 HE3 LYS A 420 -1.925 -8.794 5.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 -3.126 -10.725 4.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 -2.320 -11.097 6.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 -3.997 -10.827 6.292 1.00 0.00 H new ATOM 252 N VAL A 421 -1.327 -5.967 10.563 1.00 0.00 N ATOM 253 CA VAL A 421 -0.262 -6.075 11.556 1.00 0.00 C ATOM 254 C VAL A 421 0.398 -7.448 11.489 1.00 0.00 C ATOM 255 O VAL A 421 -0.275 -8.458 11.281 1.00 0.00 O ATOM 256 CB VAL A 421 -0.792 -5.831 12.982 1.00 0.00 C ATOM 257 CG1 VAL A 421 -1.869 -6.843 13.335 1.00 0.00 C ATOM 258 CG2 VAL A 421 0.346 -5.876 13.993 1.00 0.00 C ATOM 0 H VAL A 421 -2.110 -6.602 10.716 1.00 0.00 H new ATOM 0 HA VAL A 421 0.475 -5.306 11.324 1.00 0.00 H new ATOM 0 HB VAL A 421 -1.237 -4.837 13.016 1.00 0.00 H new ATOM 0 HG11 VAL A 421 -2.230 -6.653 14.346 1.00 0.00 H new ATOM 0 HG12 VAL A 421 -2.697 -6.754 12.632 1.00 0.00 H new ATOM 0 HG13 VAL A 421 -1.454 -7.850 13.281 1.00 0.00 H new ATOM 0 HG21 VAL A 421 -0.049 -5.701 14.994 1.00 0.00 H new ATOM 0 HG22 VAL A 421 0.825 -6.854 13.958 1.00 0.00 H new ATOM 0 HG23 VAL A 421 1.077 -5.105 13.752 1.00 0.00 H new ATOM 268 N VAL A 422 1.717 -7.484 11.657 1.00 0.00 N ATOM 269 CA VAL A 422 2.452 -8.743 11.603 1.00 0.00 C ATOM 270 C VAL A 422 3.313 -8.959 12.843 1.00 0.00 C ATOM 271 O VAL A 422 3.890 -8.008 13.393 1.00 0.00 O ATOM 272 CB VAL A 422 3.352 -8.814 10.357 1.00 0.00 C ATOM 273 CG1 VAL A 422 2.523 -9.086 9.111 1.00 0.00 C ATOM 274 CG2 VAL A 422 4.157 -7.532 10.204 1.00 0.00 C ATOM 0 H VAL A 422 2.295 -6.662 11.830 1.00 0.00 H new ATOM 0 HA VAL A 422 1.699 -9.530 11.556 1.00 0.00 H new ATOM 0 HB VAL A 422 4.051 -9.640 10.485 1.00 0.00 H new ATOM 0 HG11 VAL A 422 3.178 -9.132 8.241 1.00 0.00 H new ATOM 0 HG12 VAL A 422 2.000 -10.036 9.222 1.00 0.00 H new ATOM 0 HG13 VAL A 422 1.796 -8.285 8.976 1.00 0.00 H new ATOM 0 HG21 VAL A 422 4.787 -7.602 9.317 1.00 0.00 H new ATOM 0 HG22 VAL A 422 3.478 -6.686 10.101 1.00 0.00 H new ATOM 0 HG23 VAL A 422 4.784 -7.389 11.084 1.00 0.00 H new ATOM 284 N LYS A 423 3.403 -10.225 13.264 1.00 0.00 N ATOM 285 CA LYS A 423 4.198 -10.610 14.426 1.00 0.00 C ATOM 286 C LYS A 423 5.668 -10.733 14.041 1.00 0.00 C ATOM 287 O LYS A 423 6.046 -10.423 12.911 1.00 0.00 O ATOM 288 CB LYS A 423 3.693 -11.934 15.005 1.00 0.00 C ATOM 289 CG LYS A 423 3.703 -11.977 16.525 1.00 0.00 C ATOM 290 CD LYS A 423 2.508 -12.743 17.070 1.00 0.00 C ATOM 291 CE LYS A 423 2.646 -14.239 16.829 1.00 0.00 C ATOM 292 NZ LYS A 423 2.863 -14.988 18.097 1.00 0.00 N ATOM 0 H LYS A 423 2.928 -11.005 12.809 1.00 0.00 H new ATOM 0 HA LYS A 423 4.096 -9.836 15.187 1.00 0.00 H new ATOM 0 HB2 LYS A 423 2.677 -12.112 14.652 1.00 0.00 H new ATOM 0 HB3 LYS A 423 4.310 -12.747 14.623 1.00 0.00 H new ATOM 0 HG2 LYS A 423 4.625 -12.445 16.870 1.00 0.00 H new ATOM 0 HG3 LYS A 423 3.695 -10.961 16.919 1.00 0.00 H new ATOM 0 HD2 LYS A 423 2.410 -12.553 18.139 1.00 0.00 H new ATOM 0 HD3 LYS A 423 1.596 -12.380 16.597 1.00 0.00 H new ATOM 0 HE2 LYS A 423 1.748 -14.612 16.336 1.00 0.00 H new ATOM 0 HE3 LYS A 423 3.480 -14.422 16.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 2.952 -16.003 17.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 3.734 -14.651 18.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 2.055 -14.834 18.734 1.00 0.00 H new ATOM 306 N GLY A 424 6.505 -11.167 14.985 1.00 0.00 N ATOM 307 CA GLY A 424 7.930 -11.292 14.707 1.00 0.00 C ATOM 308 C GLY A 424 8.582 -9.942 14.435 1.00 0.00 C ATOM 309 O GLY A 424 9.805 -9.810 14.464 1.00 0.00 O ATOM 0 H GLY A 424 6.225 -11.432 15.929 1.00 0.00 H new ATOM 0 HA2 GLY A 424 8.424 -11.768 15.554 1.00 0.00 H new ATOM 0 HA3 GLY A 424 8.075 -11.944 13.846 1.00 0.00 H new ATOM 313 N ASN A 425 7.745 -8.944 14.172 1.00 0.00 N ATOM 314 CA ASN A 425 8.176 -7.588 13.892 1.00 0.00 C ATOM 315 C ASN A 425 7.021 -6.652 14.223 1.00 0.00 C ATOM 316 O ASN A 425 6.545 -5.914 13.363 1.00 0.00 O ATOM 317 CB ASN A 425 8.571 -7.452 12.420 1.00 0.00 C ATOM 318 CG ASN A 425 9.741 -6.512 12.212 1.00 0.00 C ATOM 319 OD1 ASN A 425 10.684 -6.492 13.002 1.00 0.00 O ATOM 320 ND2 ASN A 425 9.686 -5.729 11.141 1.00 0.00 N ATOM 0 H ASN A 425 6.732 -9.061 14.148 1.00 0.00 H new ATOM 0 HA ASN A 425 9.048 -7.335 14.495 1.00 0.00 H new ATOM 0 HB2 ASN A 425 8.826 -8.435 12.024 1.00 0.00 H new ATOM 0 HB3 ASN A 425 7.715 -7.091 11.850 1.00 0.00 H new ATOM 0 HD21 ASN A 425 10.446 -5.077 10.946 1.00 0.00 H new ATOM 0 HD22 ASN A 425 8.884 -5.780 10.513 1.00 0.00 H new ATOM 327 N PRO A 426 6.547 -6.707 15.488 1.00 0.00 N ATOM 328 CA PRO A 426 5.428 -5.913 15.996 1.00 0.00 C ATOM 329 C PRO A 426 5.226 -4.584 15.284 1.00 0.00 C ATOM 330 O PRO A 426 5.475 -3.523 15.858 1.00 0.00 O ATOM 331 CB PRO A 426 5.851 -5.692 17.438 1.00 0.00 C ATOM 332 CG PRO A 426 6.530 -6.967 17.826 1.00 0.00 C ATOM 333 CD PRO A 426 7.073 -7.581 16.552 1.00 0.00 C ATOM 0 HA PRO A 426 4.470 -6.414 15.855 1.00 0.00 H new ATOM 0 HB2 PRO A 426 6.524 -4.840 17.528 1.00 0.00 H new ATOM 0 HB3 PRO A 426 4.992 -5.489 18.077 1.00 0.00 H new ATOM 0 HG2 PRO A 426 7.335 -6.776 18.536 1.00 0.00 H new ATOM 0 HG3 PRO A 426 5.829 -7.645 18.313 1.00 0.00 H new ATOM 0 HD2 PRO A 426 8.163 -7.601 16.551 1.00 0.00 H new ATOM 0 HD3 PRO A 426 6.735 -8.610 16.428 1.00 0.00 H new ATOM 341 N TYR A 427 4.766 -4.640 14.041 1.00 0.00 N ATOM 342 CA TYR A 427 4.539 -3.423 13.272 1.00 0.00 C ATOM 343 C TYR A 427 3.487 -3.641 12.190 1.00 0.00 C ATOM 344 O TYR A 427 3.355 -4.740 11.651 1.00 0.00 O ATOM 345 CB TYR A 427 5.847 -2.937 12.640 1.00 0.00 C ATOM 346 CG TYR A 427 6.810 -2.314 13.629 1.00 0.00 C ATOM 347 CD1 TYR A 427 7.591 -3.104 14.467 1.00 0.00 C ATOM 348 CD2 TYR A 427 6.937 -0.934 13.724 1.00 0.00 C ATOM 349 CE1 TYR A 427 8.469 -2.534 15.369 1.00 0.00 C ATOM 350 CE2 TYR A 427 7.814 -0.358 14.624 1.00 0.00 C ATOM 351 CZ TYR A 427 8.576 -1.161 15.444 1.00 0.00 C ATOM 352 OH TYR A 427 9.448 -0.591 16.342 1.00 0.00 O ATOM 0 H TYR A 427 4.545 -5.505 13.548 1.00 0.00 H new ATOM 0 HA TYR A 427 4.170 -2.661 13.958 1.00 0.00 H new ATOM 0 HB2 TYR A 427 6.338 -3.778 12.150 1.00 0.00 H new ATOM 0 HB3 TYR A 427 5.615 -2.207 11.864 1.00 0.00 H new ATOM 0 HD1 TYR A 427 7.510 -4.180 14.412 1.00 0.00 H new ATOM 0 HD2 TYR A 427 6.341 -0.301 13.084 1.00 0.00 H new ATOM 0 HE1 TYR A 427 9.069 -3.161 16.012 1.00 0.00 H new ATOM 0 HE2 TYR A 427 7.901 0.717 14.684 1.00 0.00 H new ATOM 0 HH TYR A 427 10.208 -1.192 16.487 1.00 0.00 H new ATOM 362 N PRO A 428 2.720 -2.589 11.859 1.00 0.00 N ATOM 363 CA PRO A 428 1.674 -2.665 10.840 1.00 0.00 C ATOM 364 C PRO A 428 2.233 -2.561 9.425 1.00 0.00 C ATOM 365 O PRO A 428 2.935 -1.607 9.088 1.00 0.00 O ATOM 366 CB PRO A 428 0.802 -1.453 11.160 1.00 0.00 C ATOM 367 CG PRO A 428 1.751 -0.453 11.727 1.00 0.00 C ATOM 368 CD PRO A 428 2.811 -1.241 12.455 1.00 0.00 C ATOM 0 HA PRO A 428 1.142 -3.616 10.862 1.00 0.00 H new ATOM 0 HB2 PRO A 428 0.309 -1.071 10.266 1.00 0.00 H new ATOM 0 HB3 PRO A 428 0.017 -1.705 11.873 1.00 0.00 H new ATOM 0 HG2 PRO A 428 2.192 0.155 10.938 1.00 0.00 H new ATOM 0 HG3 PRO A 428 1.238 0.228 12.406 1.00 0.00 H new ATOM 0 HD2 PRO A 428 3.801 -0.807 12.313 1.00 0.00 H new ATOM 0 HD3 PRO A 428 2.625 -1.265 13.529 1.00 0.00 H new ATOM 376 N ARG A 429 1.907 -3.546 8.596 1.00 0.00 N ATOM 377 CA ARG A 429 2.360 -3.568 7.213 1.00 0.00 C ATOM 378 C ARG A 429 1.500 -2.646 6.357 1.00 0.00 C ATOM 379 O ARG A 429 0.278 -2.605 6.506 1.00 0.00 O ATOM 380 CB ARG A 429 2.309 -4.997 6.663 1.00 0.00 C ATOM 381 CG ARG A 429 3.622 -5.465 6.058 1.00 0.00 C ATOM 382 CD ARG A 429 3.906 -6.921 6.400 1.00 0.00 C ATOM 383 NE ARG A 429 3.405 -7.833 5.374 1.00 0.00 N ATOM 384 CZ ARG A 429 3.955 -7.968 4.169 1.00 0.00 C ATOM 385 NH1 ARG A 429 5.031 -7.263 3.839 1.00 0.00 N ATOM 386 NH2 ARG A 429 3.432 -8.816 3.293 1.00 0.00 N ATOM 0 H ARG A 429 1.328 -4.343 8.861 1.00 0.00 H new ATOM 0 HA ARG A 429 3.390 -3.214 7.180 1.00 0.00 H new ATOM 0 HB2 ARG A 429 2.027 -5.677 7.467 1.00 0.00 H new ATOM 0 HB3 ARG A 429 1.528 -5.058 5.905 1.00 0.00 H new ATOM 0 HG2 ARG A 429 3.588 -5.344 4.975 1.00 0.00 H new ATOM 0 HG3 ARG A 429 4.436 -4.839 6.423 1.00 0.00 H new ATOM 0 HD2 ARG A 429 4.980 -7.063 6.517 1.00 0.00 H new ATOM 0 HD3 ARG A 429 3.446 -7.165 7.358 1.00 0.00 H new ATOM 0 HE ARG A 429 2.586 -8.399 5.594 1.00 0.00 H new ATOM 0 HH11 ARG A 429 5.441 -6.614 4.510 1.00 0.00 H new ATOM 0 HH12 ARG A 429 5.448 -7.371 2.914 1.00 0.00 H new ATOM 0 HH21 ARG A 429 2.609 -9.364 3.543 1.00 0.00 H new ATOM 0 HH22 ARG A 429 3.853 -8.920 2.370 1.00 0.00 H new ATOM 400 N SER A 430 2.142 -1.908 5.460 1.00 0.00 N ATOM 401 CA SER A 430 1.433 -0.986 4.583 1.00 0.00 C ATOM 402 C SER A 430 1.822 -1.224 3.129 1.00 0.00 C ATOM 403 O SER A 430 2.943 -0.914 2.719 1.00 0.00 O ATOM 404 CB SER A 430 1.735 0.461 4.978 1.00 0.00 C ATOM 405 OG SER A 430 1.944 0.576 6.376 1.00 0.00 O ATOM 0 H SER A 430 3.152 -1.930 5.321 1.00 0.00 H new ATOM 0 HA SER A 430 0.363 -1.164 4.690 1.00 0.00 H new ATOM 0 HB2 SER A 430 2.620 0.810 4.445 1.00 0.00 H new ATOM 0 HB3 SER A 430 0.908 1.104 4.677 1.00 0.00 H new ATOM 0 HG SER A 430 2.137 1.510 6.602 1.00 0.00 H new ATOM 411 N TYR A 431 0.899 -1.786 2.352 1.00 0.00 N ATOM 412 CA TYR A 431 1.166 -2.068 0.951 1.00 0.00 C ATOM 413 C TYR A 431 0.929 -0.831 0.096 1.00 0.00 C ATOM 414 O TYR A 431 -0.208 -0.483 -0.208 1.00 0.00 O ATOM 415 CB TYR A 431 0.286 -3.219 0.455 1.00 0.00 C ATOM 416 CG TYR A 431 0.372 -4.463 1.310 1.00 0.00 C ATOM 417 CD1 TYR A 431 -0.345 -4.563 2.496 1.00 0.00 C ATOM 418 CD2 TYR A 431 1.167 -5.536 0.932 1.00 0.00 C ATOM 419 CE1 TYR A 431 -0.271 -5.698 3.280 1.00 0.00 C ATOM 420 CE2 TYR A 431 1.248 -6.674 1.710 1.00 0.00 C ATOM 421 CZ TYR A 431 0.527 -6.751 2.882 1.00 0.00 C ATOM 422 OH TYR A 431 0.603 -7.883 3.661 1.00 0.00 O ATOM 0 H TYR A 431 -0.033 -2.052 2.669 1.00 0.00 H new ATOM 0 HA TYR A 431 2.212 -2.360 0.862 1.00 0.00 H new ATOM 0 HB2 TYR A 431 -0.750 -2.883 0.421 1.00 0.00 H new ATOM 0 HB3 TYR A 431 0.573 -3.470 -0.566 1.00 0.00 H new ATOM 0 HD1 TYR A 431 -0.970 -3.740 2.810 1.00 0.00 H new ATOM 0 HD2 TYR A 431 1.732 -5.480 0.013 1.00 0.00 H new ATOM 0 HE1 TYR A 431 -0.835 -5.761 4.199 1.00 0.00 H new ATOM 0 HE2 TYR A 431 1.873 -7.499 1.402 1.00 0.00 H new ATOM 0 HH TYR A 431 0.772 -8.662 3.091 1.00 0.00 H new ATOM 432 N TYR A 432 2.013 -0.173 -0.291 1.00 0.00 N ATOM 433 CA TYR A 432 1.922 1.020 -1.119 1.00 0.00 C ATOM 434 C TYR A 432 1.995 0.634 -2.591 1.00 0.00 C ATOM 435 O TYR A 432 2.941 -0.025 -3.018 1.00 0.00 O ATOM 436 CB TYR A 432 3.051 1.993 -0.774 1.00 0.00 C ATOM 437 CG TYR A 432 2.694 2.993 0.300 1.00 0.00 C ATOM 438 CD1 TYR A 432 2.006 4.160 -0.006 1.00 0.00 C ATOM 439 CD2 TYR A 432 3.055 2.772 1.623 1.00 0.00 C ATOM 440 CE1 TYR A 432 1.684 5.077 0.976 1.00 0.00 C ATOM 441 CE2 TYR A 432 2.739 3.684 2.612 1.00 0.00 C ATOM 442 CZ TYR A 432 2.053 4.834 2.285 1.00 0.00 C ATOM 443 OH TYR A 432 1.738 5.746 3.268 1.00 0.00 O ATOM 0 H TYR A 432 2.965 -0.445 -0.045 1.00 0.00 H new ATOM 0 HA TYR A 432 0.968 1.511 -0.926 1.00 0.00 H new ATOM 0 HB2 TYR A 432 3.922 1.423 -0.450 1.00 0.00 H new ATOM 0 HB3 TYR A 432 3.340 2.532 -1.676 1.00 0.00 H new ATOM 0 HD1 TYR A 432 1.718 4.354 -1.029 1.00 0.00 H new ATOM 0 HD2 TYR A 432 3.592 1.872 1.883 1.00 0.00 H new ATOM 0 HE1 TYR A 432 1.147 5.979 0.722 1.00 0.00 H new ATOM 0 HE2 TYR A 432 3.028 3.497 3.636 1.00 0.00 H new ATOM 0 HH TYR A 432 2.068 5.423 4.132 1.00 0.00 H new ATOM 453 N LYS A 433 0.993 1.033 -3.367 1.00 0.00 N ATOM 454 CA LYS A 433 0.966 0.709 -4.787 1.00 0.00 C ATOM 455 C LYS A 433 1.009 1.965 -5.642 1.00 0.00 C ATOM 456 O LYS A 433 0.358 2.962 -5.335 1.00 0.00 O ATOM 457 CB LYS A 433 -0.284 -0.106 -5.134 1.00 0.00 C ATOM 458 CG LYS A 433 -1.586 0.564 -4.724 1.00 0.00 C ATOM 459 CD LYS A 433 -2.774 -0.368 -4.909 1.00 0.00 C ATOM 460 CE LYS A 433 -3.280 -0.350 -6.343 1.00 0.00 C ATOM 461 NZ LYS A 433 -4.364 -1.349 -6.563 1.00 0.00 N ATOM 0 H LYS A 433 0.195 1.577 -3.039 1.00 0.00 H new ATOM 0 HA LYS A 433 1.853 0.113 -5.001 1.00 0.00 H new ATOM 0 HB2 LYS A 433 -0.302 -0.287 -6.209 1.00 0.00 H new ATOM 0 HB3 LYS A 433 -0.218 -1.079 -4.648 1.00 0.00 H new ATOM 0 HG2 LYS A 433 -1.524 0.874 -3.681 1.00 0.00 H new ATOM 0 HG3 LYS A 433 -1.734 1.467 -5.317 1.00 0.00 H new ATOM 0 HD2 LYS A 433 -2.487 -1.384 -4.636 1.00 0.00 H new ATOM 0 HD3 LYS A 433 -3.578 -0.072 -4.235 1.00 0.00 H new ATOM 0 HE2 LYS A 433 -3.650 0.646 -6.585 1.00 0.00 H new ATOM 0 HE3 LYS A 433 -2.453 -0.556 -7.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 -4.681 -1.305 -7.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 -4.004 -2.303 -6.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 -5.164 -1.137 -5.933 1.00 0.00 H new ATOM 475 N CYS A 434 1.771 1.903 -6.726 1.00 0.00 N ATOM 476 CA CYS A 434 1.888 3.023 -7.642 1.00 0.00 C ATOM 477 C CYS A 434 0.745 2.986 -8.648 1.00 0.00 C ATOM 478 O CYS A 434 0.405 1.930 -9.179 1.00 0.00 O ATOM 479 CB CYS A 434 3.242 2.983 -8.367 1.00 0.00 C ATOM 480 SG CYS A 434 3.315 3.946 -9.903 1.00 0.00 S ATOM 0 H CYS A 434 2.318 1.084 -6.991 1.00 0.00 H new ATOM 0 HA CYS A 434 1.831 3.952 -7.075 1.00 0.00 H new ATOM 0 HB2 CYS A 434 4.012 3.350 -7.688 1.00 0.00 H new ATOM 0 HB3 CYS A 434 3.486 1.945 -8.594 1.00 0.00 H new ATOM 0 HG CYS A 434 4.463 4.551 -9.982 1.00 0.00 H new ATOM 485 N THR A 435 0.167 4.146 -8.913 1.00 0.00 N ATOM 486 CA THR A 435 -0.926 4.253 -9.865 1.00 0.00 C ATOM 487 C THR A 435 -0.501 5.150 -11.017 1.00 0.00 C ATOM 488 O THR A 435 0.271 6.088 -10.816 1.00 0.00 O ATOM 489 CB THR A 435 -2.198 4.829 -9.206 1.00 0.00 C ATOM 490 OG1 THR A 435 -2.095 6.255 -9.104 1.00 0.00 O ATOM 491 CG2 THR A 435 -2.418 4.229 -7.820 1.00 0.00 C ATOM 0 H THR A 435 0.438 5.029 -8.481 1.00 0.00 H new ATOM 0 HA THR A 435 -1.160 3.253 -10.230 1.00 0.00 H new ATOM 0 HB THR A 435 -3.051 4.569 -9.833 1.00 0.00 H new ATOM 0 HG1 THR A 435 -2.906 6.613 -8.687 1.00 0.00 H new ATOM 0 HG21 THR A 435 -3.321 4.652 -7.379 1.00 0.00 H new ATOM 0 HG22 THR A 435 -2.528 3.148 -7.905 1.00 0.00 H new ATOM 0 HG23 THR A 435 -1.562 4.457 -7.185 1.00 0.00 H new ATOM 499 N THR A 436 -0.996 4.883 -12.220 1.00 0.00 N ATOM 500 CA THR A 436 -0.649 5.693 -13.376 1.00 0.00 C ATOM 501 C THR A 436 -1.529 5.313 -14.564 1.00 0.00 C ATOM 502 O THR A 436 -1.768 4.130 -14.804 1.00 0.00 O ATOM 503 CB THR A 436 0.828 5.511 -13.776 1.00 0.00 C ATOM 504 OG1 THR A 436 1.634 5.260 -12.618 1.00 0.00 O ATOM 505 CG2 THR A 436 1.349 6.740 -14.502 1.00 0.00 C ATOM 0 H THR A 436 -1.636 4.114 -12.418 1.00 0.00 H new ATOM 0 HA THR A 436 -0.811 6.736 -13.102 1.00 0.00 H new ATOM 0 HB THR A 436 0.889 4.655 -14.448 1.00 0.00 H new ATOM 0 HG1 THR A 436 1.514 5.987 -11.972 1.00 0.00 H new ATOM 0 HG21 THR A 436 2.393 6.587 -14.774 1.00 0.00 H new ATOM 0 HG22 THR A 436 0.760 6.907 -15.404 1.00 0.00 H new ATOM 0 HG23 THR A 436 1.268 7.610 -13.850 1.00 0.00 H new ATOM 513 N PRO A 437 -2.027 6.302 -15.328 1.00 0.00 N ATOM 514 CA PRO A 437 -2.882 6.042 -16.492 1.00 0.00 C ATOM 515 C PRO A 437 -2.229 5.073 -17.470 1.00 0.00 C ATOM 516 O PRO A 437 -1.599 5.488 -18.442 1.00 0.00 O ATOM 517 CB PRO A 437 -3.058 7.423 -17.139 1.00 0.00 C ATOM 518 CG PRO A 437 -2.025 8.295 -16.506 1.00 0.00 C ATOM 519 CD PRO A 437 -1.804 7.740 -15.131 1.00 0.00 C ATOM 0 HA PRO A 437 -3.826 5.578 -16.208 1.00 0.00 H new ATOM 0 HB2 PRO A 437 -2.919 7.371 -18.219 1.00 0.00 H new ATOM 0 HB3 PRO A 437 -4.061 7.813 -16.965 1.00 0.00 H new ATOM 0 HG2 PRO A 437 -1.101 8.287 -17.083 1.00 0.00 H new ATOM 0 HG3 PRO A 437 -2.363 9.330 -16.460 1.00 0.00 H new ATOM 0 HD2 PRO A 437 -0.798 7.948 -14.766 1.00 0.00 H new ATOM 0 HD3 PRO A 437 -2.500 8.163 -14.406 1.00 0.00 H new ATOM 527 N GLY A 438 -2.381 3.779 -17.205 1.00 0.00 N ATOM 528 CA GLY A 438 -1.796 2.773 -18.068 1.00 0.00 C ATOM 529 C GLY A 438 -0.772 1.906 -17.352 1.00 0.00 C ATOM 530 O GLY A 438 -0.260 0.946 -17.928 1.00 0.00 O ATOM 0 H GLY A 438 -2.899 3.411 -16.407 1.00 0.00 H new ATOM 0 HA2 GLY A 438 -2.587 2.138 -18.467 1.00 0.00 H new ATOM 0 HA3 GLY A 438 -1.320 3.262 -18.918 1.00 0.00 H new ATOM 534 N CYS A 439 -0.462 2.244 -16.100 1.00 0.00 N ATOM 535 CA CYS A 439 0.517 1.481 -15.329 1.00 0.00 C ATOM 536 C CYS A 439 0.033 1.203 -13.908 1.00 0.00 C ATOM 537 O CYS A 439 -0.777 1.947 -13.347 1.00 0.00 O ATOM 538 CB CYS A 439 1.863 2.223 -15.302 1.00 0.00 C ATOM 539 SG CYS A 439 2.747 2.171 -13.715 1.00 0.00 S ATOM 0 H CYS A 439 -0.871 3.035 -15.602 1.00 0.00 H new ATOM 0 HA CYS A 439 0.647 0.517 -15.822 1.00 0.00 H new ATOM 0 HB2 CYS A 439 2.508 1.800 -16.072 1.00 0.00 H new ATOM 0 HB3 CYS A 439 1.690 3.266 -15.569 1.00 0.00 H new ATOM 0 HG CYS A 439 2.506 3.261 -13.048 1.00 0.00 H new ATOM 544 N GLY A 440 0.564 0.126 -13.335 1.00 0.00 N ATOM 545 CA GLY A 440 0.220 -0.263 -11.983 1.00 0.00 C ATOM 546 C GLY A 440 1.298 -1.123 -11.346 1.00 0.00 C ATOM 547 O GLY A 440 1.420 -2.306 -11.658 1.00 0.00 O ATOM 0 H GLY A 440 1.236 -0.490 -13.793 1.00 0.00 H new ATOM 0 HA2 GLY A 440 0.064 0.630 -11.378 1.00 0.00 H new ATOM 0 HA3 GLY A 440 -0.722 -0.811 -11.992 1.00 0.00 H new ATOM 551 N VAL A 441 2.072 -0.527 -10.446 1.00 0.00 N ATOM 552 CA VAL A 441 3.139 -1.238 -9.751 1.00 0.00 C ATOM 553 C VAL A 441 2.873 -1.224 -8.251 1.00 0.00 C ATOM 554 O VAL A 441 2.161 -0.354 -7.757 1.00 0.00 O ATOM 555 CB VAL A 441 4.519 -0.601 -10.038 1.00 0.00 C ATOM 556 CG1 VAL A 441 5.543 -0.973 -8.972 1.00 0.00 C ATOM 557 CG2 VAL A 441 5.015 -1.015 -11.415 1.00 0.00 C ATOM 0 H VAL A 441 1.979 0.453 -10.179 1.00 0.00 H new ATOM 0 HA VAL A 441 3.155 -2.265 -10.116 1.00 0.00 H new ATOM 0 HB VAL A 441 4.396 0.482 -10.014 1.00 0.00 H new ATOM 0 HG11 VAL A 441 6.500 -0.507 -9.208 1.00 0.00 H new ATOM 0 HG12 VAL A 441 5.199 -0.623 -7.999 1.00 0.00 H new ATOM 0 HG13 VAL A 441 5.664 -2.056 -8.946 1.00 0.00 H new ATOM 0 HG21 VAL A 441 5.987 -0.559 -11.604 1.00 0.00 H new ATOM 0 HG22 VAL A 441 5.108 -2.100 -11.457 1.00 0.00 H new ATOM 0 HG23 VAL A 441 4.305 -0.682 -12.173 1.00 0.00 H new ATOM 567 N ARG A 442 3.431 -2.185 -7.525 1.00 0.00 N ATOM 568 CA ARG A 442 3.226 -2.247 -6.086 1.00 0.00 C ATOM 569 C ARG A 442 4.552 -2.359 -5.343 1.00 0.00 C ATOM 570 O ARG A 442 5.565 -2.770 -5.911 1.00 0.00 O ATOM 571 CB ARG A 442 2.330 -3.434 -5.727 1.00 0.00 C ATOM 572 CG ARG A 442 1.047 -3.499 -6.542 1.00 0.00 C ATOM 573 CD ARG A 442 0.736 -4.923 -6.979 1.00 0.00 C ATOM 574 NE ARG A 442 -0.701 -5.162 -7.086 1.00 0.00 N ATOM 575 CZ ARG A 442 -1.236 -6.161 -7.787 1.00 0.00 C ATOM 576 NH1 ARG A 442 -0.458 -7.008 -8.450 1.00 0.00 N ATOM 577 NH2 ARG A 442 -2.553 -6.312 -7.826 1.00 0.00 N ATOM 0 H ARG A 442 4.023 -2.924 -7.905 1.00 0.00 H new ATOM 0 HA ARG A 442 2.738 -1.322 -5.780 1.00 0.00 H new ATOM 0 HB2 ARG A 442 2.890 -4.358 -5.873 1.00 0.00 H new ATOM 0 HB3 ARG A 442 2.075 -3.379 -4.669 1.00 0.00 H new ATOM 0 HG2 ARG A 442 0.219 -3.110 -5.950 1.00 0.00 H new ATOM 0 HG3 ARG A 442 1.140 -2.860 -7.420 1.00 0.00 H new ATOM 0 HD2 ARG A 442 1.208 -5.118 -7.942 1.00 0.00 H new ATOM 0 HD3 ARG A 442 1.168 -5.624 -6.264 1.00 0.00 H new ATOM 0 HE ARG A 442 -1.331 -4.527 -6.596 1.00 0.00 H new ATOM 0 HH11 ARG A 442 0.556 -6.896 -8.425 1.00 0.00 H new ATOM 0 HH12 ARG A 442 -0.874 -7.771 -8.985 1.00 0.00 H new ATOM 0 HH21 ARG A 442 -3.156 -5.664 -7.320 1.00 0.00 H new ATOM 0 HH22 ARG A 442 -2.963 -7.077 -8.362 1.00 0.00 H new ATOM 591 N LYS A 443 4.531 -2.002 -4.066 1.00 0.00 N ATOM 592 CA LYS A 443 5.717 -2.071 -3.224 1.00 0.00 C ATOM 593 C LYS A 443 5.310 -2.310 -1.774 1.00 0.00 C ATOM 594 O LYS A 443 4.175 -2.031 -1.386 1.00 0.00 O ATOM 595 CB LYS A 443 6.555 -0.793 -3.359 1.00 0.00 C ATOM 596 CG LYS A 443 5.972 0.412 -2.639 1.00 0.00 C ATOM 597 CD LYS A 443 6.852 1.639 -2.806 1.00 0.00 C ATOM 598 CE LYS A 443 6.657 2.621 -1.662 1.00 0.00 C ATOM 599 NZ LYS A 443 7.794 3.576 -1.550 1.00 0.00 N ATOM 0 H LYS A 443 3.698 -1.659 -3.588 1.00 0.00 H new ATOM 0 HA LYS A 443 6.335 -2.907 -3.553 1.00 0.00 H new ATOM 0 HB2 LYS A 443 7.555 -0.985 -2.971 1.00 0.00 H new ATOM 0 HB3 LYS A 443 6.664 -0.553 -4.417 1.00 0.00 H new ATOM 0 HG2 LYS A 443 4.975 0.622 -3.027 1.00 0.00 H new ATOM 0 HG3 LYS A 443 5.860 0.185 -1.579 1.00 0.00 H new ATOM 0 HD2 LYS A 443 7.898 1.335 -2.852 1.00 0.00 H new ATOM 0 HD3 LYS A 443 6.620 2.129 -3.752 1.00 0.00 H new ATOM 0 HE2 LYS A 443 5.731 3.175 -1.813 1.00 0.00 H new ATOM 0 HE3 LYS A 443 6.551 2.072 -0.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 8.097 3.640 -0.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 8.587 3.241 -2.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 7.493 4.515 -1.881 1.00 0.00 H new ATOM 613 N HIS A 444 6.230 -2.841 -0.979 1.00 0.00 N ATOM 614 CA HIS A 444 5.944 -3.128 0.421 1.00 0.00 C ATOM 615 C HIS A 444 6.746 -2.222 1.346 1.00 0.00 C ATOM 616 O HIS A 444 7.909 -1.924 1.083 1.00 0.00 O ATOM 617 CB HIS A 444 6.253 -4.593 0.730 1.00 0.00 C ATOM 618 CG HIS A 444 5.363 -5.555 0.007 1.00 0.00 C ATOM 619 ND1 HIS A 444 4.231 -6.184 0.401 1.00 0.00 N flip ATOM 620 CD2 HIS A 444 5.601 -5.973 -1.287 1.00 0.00 C flip ATOM 621 CE1 HIS A 444 3.810 -6.962 -0.649 1.00 0.00 C flip ATOM 622 NE2 HIS A 444 4.653 -6.816 -1.656 1.00 0.00 N flip ATOM 0 H HIS A 444 7.176 -3.081 -1.277 1.00 0.00 H new ATOM 0 HA HIS A 444 4.885 -2.937 0.594 1.00 0.00 H new ATOM 0 HB2 HIS A 444 7.290 -4.801 0.466 1.00 0.00 H new ATOM 0 HB3 HIS A 444 6.158 -4.758 1.803 1.00 0.00 H new ATOM 0 HD1 HIS A 444 3.775 -6.096 1.309 1.00 0.00 H new ATOM 0 HD2 HIS A 444 6.432 -5.660 -1.902 1.00 0.00 H new ATOM 0 HE1 HIS A 444 2.932 -7.591 -0.651 1.00 0.00 H new ATOM 631 N VAL A 445 6.119 -1.795 2.437 1.00 0.00 N ATOM 632 CA VAL A 445 6.780 -0.935 3.407 1.00 0.00 C ATOM 633 C VAL A 445 6.681 -1.530 4.807 1.00 0.00 C ATOM 634 O VAL A 445 5.584 -1.770 5.312 1.00 0.00 O ATOM 635 CB VAL A 445 6.164 0.478 3.411 1.00 0.00 C ATOM 636 CG1 VAL A 445 6.958 1.409 4.313 1.00 0.00 C ATOM 637 CG2 VAL A 445 6.089 1.030 1.996 1.00 0.00 C ATOM 0 H VAL A 445 5.154 -2.031 2.670 1.00 0.00 H new ATOM 0 HA VAL A 445 7.828 -0.861 3.117 1.00 0.00 H new ATOM 0 HB VAL A 445 5.150 0.410 3.806 1.00 0.00 H new ATOM 0 HG11 VAL A 445 6.506 2.401 4.301 1.00 0.00 H new ATOM 0 HG12 VAL A 445 6.953 1.020 5.331 1.00 0.00 H new ATOM 0 HG13 VAL A 445 7.985 1.474 3.954 1.00 0.00 H new ATOM 0 HG21 VAL A 445 5.652 2.028 2.018 1.00 0.00 H new ATOM 0 HG22 VAL A 445 7.092 1.082 1.572 1.00 0.00 H new ATOM 0 HG23 VAL A 445 5.470 0.376 1.383 1.00 0.00 H new ATOM 647 N GLU A 446 7.829 -1.785 5.424 1.00 0.00 N ATOM 648 CA GLU A 446 7.864 -2.372 6.759 1.00 0.00 C ATOM 649 C GLU A 446 8.911 -1.688 7.634 1.00 0.00 C ATOM 650 O GLU A 446 9.891 -1.139 7.131 1.00 0.00 O ATOM 651 CB GLU A 446 8.174 -3.868 6.657 1.00 0.00 C ATOM 652 CG GLU A 446 7.429 -4.723 7.668 1.00 0.00 C ATOM 653 CD GLU A 446 7.168 -6.126 7.158 1.00 0.00 C ATOM 654 OE1 GLU A 446 6.993 -6.290 5.933 1.00 0.00 O ATOM 655 OE2 GLU A 446 7.138 -7.063 7.985 1.00 0.00 O ATOM 0 H GLU A 446 8.747 -1.595 5.022 1.00 0.00 H new ATOM 0 HA GLU A 446 6.887 -2.229 7.221 1.00 0.00 H new ATOM 0 HB2 GLU A 446 7.927 -4.212 5.653 1.00 0.00 H new ATOM 0 HB3 GLU A 446 9.246 -4.017 6.790 1.00 0.00 H new ATOM 0 HG2 GLU A 446 8.007 -4.776 8.591 1.00 0.00 H new ATOM 0 HG3 GLU A 446 6.480 -4.246 7.914 1.00 0.00 H new ATOM 662 N ARG A 447 8.703 -1.732 8.945 1.00 0.00 N ATOM 663 CA ARG A 447 9.636 -1.126 9.886 1.00 0.00 C ATOM 664 C ARG A 447 10.538 -2.188 10.502 1.00 0.00 C ATOM 665 O ARG A 447 10.299 -3.385 10.346 1.00 0.00 O ATOM 666 CB ARG A 447 8.877 -0.380 10.985 1.00 0.00 C ATOM 667 CG ARG A 447 8.698 1.104 10.698 1.00 0.00 C ATOM 668 CD ARG A 447 7.229 1.483 10.609 1.00 0.00 C ATOM 669 NE ARG A 447 6.988 2.499 9.587 1.00 0.00 N ATOM 670 CZ ARG A 447 5.939 3.318 9.587 1.00 0.00 C ATOM 671 NH1 ARG A 447 5.020 3.234 10.542 1.00 0.00 N ATOM 672 NH2 ARG A 447 5.804 4.222 8.626 1.00 0.00 N ATOM 0 H ARG A 447 7.897 -2.181 9.380 1.00 0.00 H new ATOM 0 HA ARG A 447 10.256 -0.413 9.342 1.00 0.00 H new ATOM 0 HB2 ARG A 447 7.896 -0.838 11.114 1.00 0.00 H new ATOM 0 HB3 ARG A 447 9.410 -0.498 11.928 1.00 0.00 H new ATOM 0 HG2 ARG A 447 9.178 1.688 11.484 1.00 0.00 H new ATOM 0 HG3 ARG A 447 9.197 1.357 9.763 1.00 0.00 H new ATOM 0 HD2 ARG A 447 6.638 0.595 10.384 1.00 0.00 H new ATOM 0 HD3 ARG A 447 6.891 1.854 11.576 1.00 0.00 H new ATOM 0 HE ARG A 447 7.664 2.586 8.828 1.00 0.00 H new ATOM 0 HH11 ARG A 447 5.116 2.538 11.282 1.00 0.00 H new ATOM 0 HH12 ARG A 447 4.219 3.865 10.536 1.00 0.00 H new ATOM 0 HH21 ARG A 447 6.504 4.289 7.887 1.00 0.00 H new ATOM 0 HH22 ARG A 447 5.000 4.850 8.626 1.00 0.00 H new ATOM 686 N ALA A 448 11.578 -1.745 11.198 1.00 0.00 N ATOM 687 CA ALA A 448 12.516 -2.663 11.832 1.00 0.00 C ATOM 688 C ALA A 448 12.217 -2.819 13.321 1.00 0.00 C ATOM 689 O ALA A 448 12.192 -1.839 14.067 1.00 0.00 O ATOM 690 CB ALA A 448 13.943 -2.186 11.615 1.00 0.00 C ATOM 0 H ALA A 448 11.793 -0.758 11.338 1.00 0.00 H new ATOM 0 HA ALA A 448 12.400 -3.643 11.369 1.00 0.00 H new ATOM 0 HB1 ALA A 448 14.635 -2.879 12.093 1.00 0.00 H new ATOM 0 HB2 ALA A 448 14.153 -2.142 10.546 1.00 0.00 H new ATOM 0 HB3 ALA A 448 14.065 -1.194 12.050 1.00 0.00 H new ATOM 696 N ALA A 449 11.978 -4.061 13.741 1.00 0.00 N ATOM 697 CA ALA A 449 11.665 -4.362 15.137 1.00 0.00 C ATOM 698 C ALA A 449 12.570 -3.596 16.100 1.00 0.00 C ATOM 699 O ALA A 449 12.090 -2.945 17.029 1.00 0.00 O ATOM 700 CB ALA A 449 11.771 -5.859 15.392 1.00 0.00 C ATOM 0 H ALA A 449 11.995 -4.878 13.131 1.00 0.00 H new ATOM 0 HA ALA A 449 10.640 -4.039 15.321 1.00 0.00 H new ATOM 0 HB1 ALA A 449 11.535 -6.068 16.435 1.00 0.00 H new ATOM 0 HB2 ALA A 449 11.069 -6.388 14.748 1.00 0.00 H new ATOM 0 HB3 ALA A 449 12.785 -6.194 15.175 1.00 0.00 H new ATOM 706 N THR A 450 13.879 -3.681 15.882 1.00 0.00 N ATOM 707 CA THR A 450 14.841 -2.997 16.741 1.00 0.00 C ATOM 708 C THR A 450 15.142 -1.583 16.244 1.00 0.00 C ATOM 709 O THR A 450 16.155 -0.991 16.615 1.00 0.00 O ATOM 710 CB THR A 450 16.159 -3.787 16.840 1.00 0.00 C ATOM 711 OG1 THR A 450 16.337 -4.594 15.670 1.00 0.00 O ATOM 712 CG2 THR A 450 16.166 -4.673 18.078 1.00 0.00 C ATOM 0 H THR A 450 14.297 -4.215 15.120 1.00 0.00 H new ATOM 0 HA THR A 450 14.383 -2.931 17.728 1.00 0.00 H new ATOM 0 HB THR A 450 16.979 -3.073 16.917 1.00 0.00 H new ATOM 0 HG1 THR A 450 17.178 -5.092 15.741 1.00 0.00 H new ATOM 0 HG21 THR A 450 17.107 -5.222 18.127 1.00 0.00 H new ATOM 0 HG22 THR A 450 16.060 -4.054 18.969 1.00 0.00 H new ATOM 0 HG23 THR A 450 15.337 -5.378 18.025 1.00 0.00 H new ATOM 720 N ASP A 451 14.260 -1.042 15.410 1.00 0.00 N ATOM 721 CA ASP A 451 14.438 0.303 14.873 1.00 0.00 C ATOM 722 C ASP A 451 13.127 0.831 14.299 1.00 0.00 C ATOM 723 O ASP A 451 12.856 0.685 13.108 1.00 0.00 O ATOM 724 CB ASP A 451 15.523 0.310 13.796 1.00 0.00 C ATOM 725 CG ASP A 451 16.271 1.627 13.739 1.00 0.00 C ATOM 726 OD1 ASP A 451 15.617 2.672 13.539 1.00 0.00 O ATOM 727 OD2 ASP A 451 17.510 1.613 13.891 1.00 0.00 O ATOM 0 H ASP A 451 13.414 -1.514 15.091 1.00 0.00 H new ATOM 0 HA ASP A 451 14.749 0.956 15.688 1.00 0.00 H new ATOM 0 HB2 ASP A 451 16.229 -0.498 13.990 1.00 0.00 H new ATOM 0 HB3 ASP A 451 15.069 0.111 12.825 1.00 0.00 H new ATOM 732 N PRO A 452 12.288 1.450 15.148 1.00 0.00 N ATOM 733 CA PRO A 452 10.992 1.996 14.728 1.00 0.00 C ATOM 734 C PRO A 452 11.128 3.112 13.694 1.00 0.00 C ATOM 735 O PRO A 452 10.147 3.497 13.057 1.00 0.00 O ATOM 736 CB PRO A 452 10.386 2.546 16.027 1.00 0.00 C ATOM 737 CG PRO A 452 11.149 1.884 17.125 1.00 0.00 C ATOM 738 CD PRO A 452 12.529 1.660 16.584 1.00 0.00 C ATOM 0 HA PRO A 452 10.379 1.235 14.245 1.00 0.00 H new ATOM 0 HB2 PRO A 452 10.483 3.630 16.078 1.00 0.00 H new ATOM 0 HB3 PRO A 452 9.322 2.317 16.093 1.00 0.00 H new ATOM 0 HG2 PRO A 452 11.175 2.511 18.016 1.00 0.00 H new ATOM 0 HG3 PRO A 452 10.683 0.941 17.412 1.00 0.00 H new ATOM 0 HD2 PRO A 452 13.178 2.517 16.764 1.00 0.00 H new ATOM 0 HD3 PRO A 452 13.008 0.796 17.044 1.00 0.00 H new ATOM 746 N LYS A 453 12.341 3.635 13.531 1.00 0.00 N ATOM 747 CA LYS A 453 12.579 4.711 12.573 1.00 0.00 C ATOM 748 C LYS A 453 13.133 4.173 11.254 1.00 0.00 C ATOM 749 O LYS A 453 13.254 4.916 10.280 1.00 0.00 O ATOM 750 CB LYS A 453 13.544 5.765 13.141 1.00 0.00 C ATOM 751 CG LYS A 453 13.728 5.718 14.654 1.00 0.00 C ATOM 752 CD LYS A 453 15.165 5.388 15.028 1.00 0.00 C ATOM 753 CE LYS A 453 15.999 6.648 15.212 1.00 0.00 C ATOM 754 NZ LYS A 453 17.145 6.705 14.260 1.00 0.00 N ATOM 0 H LYS A 453 13.169 3.334 14.046 1.00 0.00 H new ATOM 0 HA LYS A 453 11.614 5.182 12.383 1.00 0.00 H new ATOM 0 HB2 LYS A 453 14.517 5.638 12.667 1.00 0.00 H new ATOM 0 HB3 LYS A 453 13.181 6.755 12.864 1.00 0.00 H new ATOM 0 HG2 LYS A 453 13.450 6.679 15.086 1.00 0.00 H new ATOM 0 HG3 LYS A 453 13.059 4.971 15.080 1.00 0.00 H new ATOM 0 HD2 LYS A 453 15.177 4.805 15.949 1.00 0.00 H new ATOM 0 HD3 LYS A 453 15.610 4.766 14.251 1.00 0.00 H new ATOM 0 HE2 LYS A 453 15.367 7.525 15.071 1.00 0.00 H new ATOM 0 HE3 LYS A 453 16.375 6.687 16.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 17.686 7.579 14.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 17.763 5.882 14.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 16.786 6.694 13.284 1.00 0.00 H new ATOM 768 N ALA A 454 13.470 2.886 11.217 1.00 0.00 N ATOM 769 CA ALA A 454 14.008 2.277 10.007 1.00 0.00 C ATOM 770 C ALA A 454 12.910 1.578 9.213 1.00 0.00 C ATOM 771 O ALA A 454 12.179 0.744 9.749 1.00 0.00 O ATOM 772 CB ALA A 454 15.115 1.296 10.356 1.00 0.00 C ATOM 0 H ALA A 454 13.380 2.248 12.008 1.00 0.00 H new ATOM 0 HA ALA A 454 14.425 3.069 9.385 1.00 0.00 H new ATOM 0 HB1 ALA A 454 15.507 0.849 9.442 1.00 0.00 H new ATOM 0 HB2 ALA A 454 15.916 1.821 10.876 1.00 0.00 H new ATOM 0 HB3 ALA A 454 14.717 0.513 11.001 1.00 0.00 H new ATOM 778 N VAL A 455 12.792 1.927 7.937 1.00 0.00 N ATOM 779 CA VAL A 455 11.775 1.334 7.078 1.00 0.00 C ATOM 780 C VAL A 455 12.395 0.615 5.885 1.00 0.00 C ATOM 781 O VAL A 455 13.424 1.033 5.354 1.00 0.00 O ATOM 782 CB VAL A 455 10.790 2.402 6.563 1.00 0.00 C ATOM 783 CG1 VAL A 455 9.622 1.749 5.840 1.00 0.00 C ATOM 784 CG2 VAL A 455 10.296 3.271 7.710 1.00 0.00 C ATOM 0 H VAL A 455 13.386 2.616 7.476 1.00 0.00 H new ATOM 0 HA VAL A 455 11.237 0.608 7.687 1.00 0.00 H new ATOM 0 HB VAL A 455 11.316 3.041 5.853 1.00 0.00 H new ATOM 0 HG11 VAL A 455 8.938 2.519 5.484 1.00 0.00 H new ATOM 0 HG12 VAL A 455 9.994 1.174 4.992 1.00 0.00 H new ATOM 0 HG13 VAL A 455 9.095 1.085 6.525 1.00 0.00 H new ATOM 0 HG21 VAL A 455 9.602 4.019 7.327 1.00 0.00 H new ATOM 0 HG22 VAL A 455 9.788 2.648 8.446 1.00 0.00 H new ATOM 0 HG23 VAL A 455 11.144 3.770 8.180 1.00 0.00 H new ATOM 794 N VAL A 456 11.749 -0.468 5.465 1.00 0.00 N ATOM 795 CA VAL A 456 12.212 -1.257 4.328 1.00 0.00 C ATOM 796 C VAL A 456 11.241 -1.110 3.158 1.00 0.00 C ATOM 797 O VAL A 456 10.030 -1.032 3.360 1.00 0.00 O ATOM 798 CB VAL A 456 12.358 -2.750 4.700 1.00 0.00 C ATOM 799 CG1 VAL A 456 13.097 -2.902 6.023 1.00 0.00 C ATOM 800 CG2 VAL A 456 10.997 -3.431 4.767 1.00 0.00 C ATOM 0 H VAL A 456 10.896 -0.822 5.899 1.00 0.00 H new ATOM 0 HA VAL A 456 13.193 -0.881 4.038 1.00 0.00 H new ATOM 0 HB VAL A 456 12.942 -3.237 3.919 1.00 0.00 H new ATOM 0 HG11 VAL A 456 13.190 -3.960 6.268 1.00 0.00 H new ATOM 0 HG12 VAL A 456 14.090 -2.460 5.938 1.00 0.00 H new ATOM 0 HG13 VAL A 456 12.541 -2.394 6.811 1.00 0.00 H new ATOM 0 HG21 VAL A 456 11.128 -4.481 5.031 1.00 0.00 H new ATOM 0 HG22 VAL A 456 10.382 -2.941 5.522 1.00 0.00 H new ATOM 0 HG23 VAL A 456 10.506 -3.359 3.797 1.00 0.00 H new ATOM 810 N THR A 457 11.767 -1.073 1.939 1.00 0.00 N ATOM 811 CA THR A 457 10.914 -0.937 0.762 1.00 0.00 C ATOM 812 C THR A 457 11.275 -1.931 -0.336 1.00 0.00 C ATOM 813 O THR A 457 12.425 -2.007 -0.769 1.00 0.00 O ATOM 814 CB THR A 457 10.966 0.489 0.184 1.00 0.00 C ATOM 815 OG1 THR A 457 11.201 1.438 1.231 1.00 0.00 O ATOM 816 CG2 THR A 457 9.661 0.821 -0.529 1.00 0.00 C ATOM 0 H THR A 457 12.765 -1.134 1.740 1.00 0.00 H new ATOM 0 HA THR A 457 9.902 -1.151 1.105 1.00 0.00 H new ATOM 0 HB THR A 457 11.784 0.541 -0.535 1.00 0.00 H new ATOM 0 HG1 THR A 457 11.234 2.341 0.852 1.00 0.00 H new ATOM 0 HG21 THR A 457 9.714 1.832 -0.932 1.00 0.00 H new ATOM 0 HG22 THR A 457 9.501 0.114 -1.343 1.00 0.00 H new ATOM 0 HG23 THR A 457 8.833 0.755 0.177 1.00 0.00 H new ATOM 824 N THR A 458 10.273 -2.676 -0.792 1.00 0.00 N ATOM 825 CA THR A 458 10.460 -3.656 -1.854 1.00 0.00 C ATOM 826 C THR A 458 9.610 -3.287 -3.068 1.00 0.00 C ATOM 827 O THR A 458 8.407 -3.064 -2.944 1.00 0.00 O ATOM 828 CB THR A 458 10.084 -5.075 -1.384 1.00 0.00 C ATOM 829 OG1 THR A 458 10.123 -5.143 0.047 1.00 0.00 O ATOM 830 CG2 THR A 458 11.030 -6.111 -1.970 1.00 0.00 C ATOM 0 H THR A 458 9.318 -2.618 -0.439 1.00 0.00 H new ATOM 0 HA THR A 458 11.516 -3.649 -2.125 1.00 0.00 H new ATOM 0 HB THR A 458 9.074 -5.292 -1.732 1.00 0.00 H new ATOM 0 HG1 THR A 458 9.881 -6.047 0.338 1.00 0.00 H new ATOM 0 HG21 THR A 458 10.743 -7.104 -1.623 1.00 0.00 H new ATOM 0 HG22 THR A 458 10.977 -6.078 -3.058 1.00 0.00 H new ATOM 0 HG23 THR A 458 12.049 -5.895 -1.650 1.00 0.00 H new ATOM 838 N TYR A 459 10.240 -3.209 -4.237 1.00 0.00 N ATOM 839 CA TYR A 459 9.528 -2.849 -5.460 1.00 0.00 C ATOM 840 C TYR A 459 9.237 -4.075 -6.319 1.00 0.00 C ATOM 841 O TYR A 459 10.148 -4.812 -6.700 1.00 0.00 O ATOM 842 CB TYR A 459 10.335 -1.831 -6.266 1.00 0.00 C ATOM 843 CG TYR A 459 10.157 -0.407 -5.791 1.00 0.00 C ATOM 844 CD1 TYR A 459 10.245 -0.091 -4.442 1.00 0.00 C ATOM 845 CD2 TYR A 459 9.901 0.621 -6.690 1.00 0.00 C ATOM 846 CE1 TYR A 459 10.085 1.208 -4.000 1.00 0.00 C ATOM 847 CE2 TYR A 459 9.739 1.924 -6.256 1.00 0.00 C ATOM 848 CZ TYR A 459 9.832 2.212 -4.911 1.00 0.00 C ATOM 849 OH TYR A 459 9.669 3.506 -4.475 1.00 0.00 O ATOM 0 H TYR A 459 11.236 -3.389 -4.363 1.00 0.00 H new ATOM 0 HA TYR A 459 8.576 -2.405 -5.168 1.00 0.00 H new ATOM 0 HB2 TYR A 459 11.392 -2.094 -6.214 1.00 0.00 H new ATOM 0 HB3 TYR A 459 10.042 -1.895 -7.314 1.00 0.00 H new ATOM 0 HD1 TYR A 459 10.442 -0.875 -3.725 1.00 0.00 H new ATOM 0 HD2 TYR A 459 9.827 0.399 -7.744 1.00 0.00 H new ATOM 0 HE1 TYR A 459 10.158 1.436 -2.947 1.00 0.00 H new ATOM 0 HE2 TYR A 459 9.541 2.712 -6.967 1.00 0.00 H new ATOM 0 HH TYR A 459 8.882 3.900 -4.907 1.00 0.00 H new ATOM 859 N GLU A 460 7.960 -4.285 -6.620 1.00 0.00 N ATOM 860 CA GLU A 460 7.539 -5.419 -7.436 1.00 0.00 C ATOM 861 C GLU A 460 6.776 -4.948 -8.670 1.00 0.00 C ATOM 862 O GLU A 460 5.643 -4.479 -8.570 1.00 0.00 O ATOM 863 CB GLU A 460 6.662 -6.363 -6.613 1.00 0.00 C ATOM 864 CG GLU A 460 7.449 -7.419 -5.854 1.00 0.00 C ATOM 865 CD GLU A 460 7.209 -7.366 -4.359 1.00 0.00 C ATOM 866 OE1 GLU A 460 7.475 -6.307 -3.751 1.00 0.00 O ATOM 867 OE2 GLU A 460 6.750 -8.383 -3.796 1.00 0.00 O ATOM 0 H GLU A 460 7.197 -3.683 -6.310 1.00 0.00 H new ATOM 0 HA GLU A 460 8.432 -5.952 -7.764 1.00 0.00 H new ATOM 0 HB2 GLU A 460 6.079 -5.777 -5.903 1.00 0.00 H new ATOM 0 HB3 GLU A 460 5.953 -6.858 -7.277 1.00 0.00 H new ATOM 0 HG2 GLU A 460 7.177 -8.407 -6.227 1.00 0.00 H new ATOM 0 HG3 GLU A 460 8.513 -7.286 -6.052 1.00 0.00 H new ATOM 874 N GLY A 461 7.404 -5.079 -9.836 1.00 0.00 N ATOM 875 CA GLY A 461 6.764 -4.665 -11.072 1.00 0.00 C ATOM 876 C GLY A 461 7.639 -3.748 -11.905 1.00 0.00 C ATOM 877 O GLY A 461 8.854 -3.698 -11.718 1.00 0.00 O ATOM 0 H GLY A 461 8.342 -5.464 -9.946 1.00 0.00 H new ATOM 0 HA2 GLY A 461 6.509 -5.548 -11.658 1.00 0.00 H new ATOM 0 HA3 GLY A 461 5.829 -4.156 -10.839 1.00 0.00 H new ATOM 881 N LYS A 462 7.017 -3.021 -12.828 1.00 0.00 N ATOM 882 CA LYS A 462 7.741 -2.099 -13.696 1.00 0.00 C ATOM 883 C LYS A 462 6.822 -0.984 -14.185 1.00 0.00 C ATOM 884 O LYS A 462 5.642 -1.212 -14.454 1.00 0.00 O ATOM 885 CB LYS A 462 8.330 -2.851 -14.891 1.00 0.00 C ATOM 886 CG LYS A 462 9.209 -1.987 -15.782 1.00 0.00 C ATOM 887 CD LYS A 462 10.684 -2.184 -15.470 1.00 0.00 C ATOM 888 CE LYS A 462 11.275 -3.338 -16.265 1.00 0.00 C ATOM 889 NZ LYS A 462 12.198 -4.166 -15.443 1.00 0.00 N ATOM 0 H LYS A 462 6.011 -3.053 -12.994 1.00 0.00 H new ATOM 0 HA LYS A 462 8.552 -1.653 -13.120 1.00 0.00 H new ATOM 0 HB2 LYS A 462 8.916 -3.695 -14.526 1.00 0.00 H new ATOM 0 HB3 LYS A 462 7.516 -3.263 -15.488 1.00 0.00 H new ATOM 0 HG2 LYS A 462 9.021 -2.232 -16.827 1.00 0.00 H new ATOM 0 HG3 LYS A 462 8.945 -0.938 -15.648 1.00 0.00 H new ATOM 0 HD2 LYS A 462 11.230 -1.268 -15.696 1.00 0.00 H new ATOM 0 HD3 LYS A 462 10.809 -2.374 -14.404 1.00 0.00 H new ATOM 0 HE2 LYS A 462 10.469 -3.965 -16.648 1.00 0.00 H new ATOM 0 HE3 LYS A 462 11.812 -2.946 -17.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 462 12.579 -4.941 -16.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 462 12.981 -3.575 -15.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 462 11.680 -4.562 -14.632 1.00 0.00 H new ATOM 903 N HIS A 463 7.368 0.225 -14.299 1.00 0.00 N ATOM 904 CA HIS A 463 6.591 1.371 -14.754 1.00 0.00 C ATOM 905 C HIS A 463 6.827 1.640 -16.235 1.00 0.00 C ATOM 906 O HIS A 463 7.963 1.819 -16.671 1.00 0.00 O ATOM 907 CB HIS A 463 6.947 2.617 -13.944 1.00 0.00 C ATOM 908 CG HIS A 463 6.944 2.390 -12.466 1.00 0.00 C ATOM 909 ND1 HIS A 463 7.892 1.879 -11.646 1.00 0.00 N flip ATOM 910 CD2 HIS A 463 5.871 2.702 -11.657 1.00 0.00 C flip ATOM 911 CE1 HIS A 463 7.380 1.890 -10.373 1.00 0.00 C flip ATOM 912 NE2 HIS A 463 6.160 2.392 -10.405 1.00 0.00 N flip ATOM 0 H HIS A 463 8.343 0.434 -14.083 1.00 0.00 H new ATOM 0 HA HIS A 463 5.537 1.136 -14.605 1.00 0.00 H new ATOM 0 HB2 HIS A 463 7.933 2.968 -14.247 1.00 0.00 H new ATOM 0 HB3 HIS A 463 6.239 3.410 -14.183 1.00 0.00 H new ATOM 0 HD2 HIS A 463 4.940 3.133 -11.994 1.00 0.00 H new ATOM 0 HE1 HIS A 463 7.893 1.544 -9.488 1.00 0.00 H new ATOM 0 HE2 HIS A 463 5.545 2.519 -9.601 1.00 0.00 H new ATOM 920 N ASN A 464 5.744 1.671 -17.002 1.00 0.00 N ATOM 921 CA ASN A 464 5.828 1.926 -18.433 1.00 0.00 C ATOM 922 C ASN A 464 5.355 3.341 -18.753 1.00 0.00 C ATOM 923 O ASN A 464 4.591 3.553 -19.696 1.00 0.00 O ATOM 924 CB ASN A 464 4.991 0.904 -19.205 1.00 0.00 C ATOM 925 CG ASN A 464 5.440 -0.522 -18.946 1.00 0.00 C ATOM 926 OD1 ASN A 464 6.632 -0.791 -18.797 1.00 0.00 O ATOM 927 ND2 ASN A 464 4.485 -1.444 -18.894 1.00 0.00 N ATOM 0 H ASN A 464 4.796 1.522 -16.655 1.00 0.00 H new ATOM 0 HA ASN A 464 6.870 1.830 -18.739 1.00 0.00 H new ATOM 0 HB2 ASN A 464 3.943 1.009 -18.924 1.00 0.00 H new ATOM 0 HB3 ASN A 464 5.057 1.115 -20.272 1.00 0.00 H new ATOM 0 HD21 ASN A 464 4.727 -2.420 -18.725 1.00 0.00 H new ATOM 0 HD22 ASN A 464 3.509 -1.176 -19.023 1.00 0.00 H new ATOM 934 N HIS A 465 5.813 4.306 -17.962 1.00 0.00 N ATOM 935 CA HIS A 465 5.446 5.705 -18.149 1.00 0.00 C ATOM 936 C HIS A 465 6.568 6.598 -17.640 1.00 0.00 C ATOM 937 O HIS A 465 6.325 7.564 -16.921 1.00 0.00 O ATOM 938 CB HIS A 465 4.156 6.016 -17.393 1.00 0.00 C ATOM 939 CG HIS A 465 4.290 5.881 -15.904 1.00 0.00 C ATOM 940 ND1 HIS A 465 4.801 6.876 -15.096 1.00 0.00 N ATOM 941 CD2 HIS A 465 3.994 4.849 -15.083 1.00 0.00 C ATOM 942 CE1 HIS A 465 4.815 6.459 -13.841 1.00 0.00 C ATOM 943 NE2 HIS A 465 4.329 5.232 -13.806 1.00 0.00 N ATOM 0 H HIS A 465 6.445 4.142 -17.178 1.00 0.00 H new ATOM 0 HA HIS A 465 5.286 5.892 -19.211 1.00 0.00 H new ATOM 0 HB2 HIS A 465 3.840 7.032 -17.631 1.00 0.00 H new ATOM 0 HB3 HIS A 465 3.369 5.347 -17.742 1.00 0.00 H new ATOM 0 HD1 HIS A 465 5.119 7.791 -15.417 1.00 0.00 H new ATOM 0 HD2 HIS A 465 3.572 3.899 -15.376 1.00 0.00 H new ATOM 0 HE1 HIS A 465 5.164 7.025 -12.990 1.00 0.00 H new