USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=22 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+ -165:sc= 2.13 (180deg=1.01) USER MOD Set 1.2: A 464 ASN : amide:sc= 0.817 K(o=3,f=-9.2!) USER MOD Set 2.1: A 443 LYS NZ :NH3+ -108:sc= -1.49 (180deg=-5.38!) USER MOD Set 2.2: A 459 TYR OH : rot 180:sc= 0.0129 USER MOD Set 3.1: A 434 CYS SG : rot 150:sc= -0.24 USER MOD Set 3.2: A 436 THR OG1 : rot -177:sc= -3.24! USER MOD Set 3.3: A 439 CYS SG : rot -79:sc= -1.1 USER MOD Set 3.4: A 463 HIS :FLIP no HD1:sc= -0.36 F(o=-9.3,f=-7.7) USER MOD Set 3.5: A 465 HIS :FLIP no HD1:sc= -2.73 F(o=-11!,f=-7.7) USER MOD Set 4.1: A 419 GLN : amide:sc= 0.872 K(o=1.9,f=-3.2!) USER MOD Set 4.2: A 430 SER OG : rot -54:sc= 1.05 USER MOD Single : A 412 TYR OH : rot 180:sc= 0 USER MOD Single : A 416 LYS NZ :NH3+ -100:sc= -0.0787 (180deg=-0.724) USER MOD Single : A 417 TYR OH : rot 180:sc= 0 USER MOD Single : A 420 LYS NZ :NH3+ -128:sc= 0.0772 (180deg=-0.529) USER MOD Single : A 423 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 425 ASN : amide:sc= -2.93 K(o=-2.9,f=-10!) USER MOD Single : A 427 TYR OH : rot -128:sc= -1.21 USER MOD Single : A 431 TYR OH : rot 180:sc= 0.831 USER MOD Single : A 432 TYR OH : rot 180:sc= -0.366 USER MOD Single : A 433 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 435 THR OG1 : rot 140:sc= 0 USER MOD Single : A 444 HIS : no HE2:sc= -0.7 K(o=-0.7,f=-5.1!) USER MOD Single : A 450 THR OG1 : rot 180:sc= 0.0659 USER MOD Single : A 453 LYS NZ :NH3+ -115:sc= -0.0803 (180deg=-1.69!) 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 7.032 9.722 -7.684 1.00 0.00 N ATOM 71 CA TYR A 412 5.942 9.300 -8.552 1.00 0.00 C ATOM 72 C TYR A 412 4.610 9.446 -7.818 1.00 0.00 C ATOM 73 O TYR A 412 4.540 10.110 -6.785 1.00 0.00 O ATOM 74 CB TYR A 412 6.170 7.848 -8.992 1.00 0.00 C ATOM 75 CG TYR A 412 7.484 7.636 -9.703 1.00 0.00 C ATOM 76 CD1 TYR A 412 7.915 8.521 -10.681 1.00 0.00 C ATOM 77 CD2 TYR A 412 8.295 6.552 -9.396 1.00 0.00 C ATOM 78 CE1 TYR A 412 9.117 8.332 -11.334 1.00 0.00 C ATOM 79 CE2 TYR A 412 9.499 6.355 -10.042 1.00 0.00 C ATOM 80 CZ TYR A 412 9.906 7.248 -11.011 1.00 0.00 C ATOM 81 OH TYR A 412 11.104 7.056 -11.658 1.00 0.00 O ATOM 0 HA TYR A 412 5.913 9.931 -9.440 1.00 0.00 H new ATOM 0 HB2 TYR A 412 6.131 7.200 -8.116 1.00 0.00 H new ATOM 0 HB3 TYR A 412 5.356 7.544 -9.650 1.00 0.00 H new ATOM 0 HD1 TYR A 412 7.300 9.372 -10.936 1.00 0.00 H new ATOM 0 HD2 TYR A 412 7.978 5.850 -8.638 1.00 0.00 H new ATOM 0 HE1 TYR A 412 9.438 9.029 -12.094 1.00 0.00 H new ATOM 0 HE2 TYR A 412 10.118 5.507 -9.790 1.00 0.00 H new ATOM 0 HH TYR A 412 11.537 6.248 -11.312 1.00 0.00 H new ATOM 91 N ARG A 413 3.559 8.824 -8.344 1.00 0.00 N ATOM 92 CA ARG A 413 2.247 8.895 -7.713 1.00 0.00 C ATOM 93 C ARG A 413 1.858 7.536 -7.146 1.00 0.00 C ATOM 94 O ARG A 413 1.541 6.609 -7.893 1.00 0.00 O ATOM 95 CB ARG A 413 1.192 9.369 -8.713 1.00 0.00 C ATOM 96 CG ARG A 413 1.562 10.660 -9.426 1.00 0.00 C ATOM 97 CD ARG A 413 0.881 11.863 -8.792 1.00 0.00 C ATOM 98 NE ARG A 413 0.981 11.846 -7.335 1.00 0.00 N ATOM 99 CZ ARG A 413 2.077 12.183 -6.662 1.00 0.00 C ATOM 100 NH1 ARG A 413 3.168 12.570 -7.310 1.00 0.00 N ATOM 101 NH2 ARG A 413 2.081 12.137 -5.339 1.00 0.00 N ATOM 0 H ARG A 413 3.590 8.269 -9.199 1.00 0.00 H new ATOM 0 HA ARG A 413 2.299 9.616 -6.897 1.00 0.00 H new ATOM 0 HB2 ARG A 413 1.031 8.588 -9.456 1.00 0.00 H new ATOM 0 HB3 ARG A 413 0.246 9.511 -8.190 1.00 0.00 H new ATOM 0 HG2 ARG A 413 2.643 10.796 -9.397 1.00 0.00 H new ATOM 0 HG3 ARG A 413 1.277 10.591 -10.476 1.00 0.00 H new ATOM 0 HD2 ARG A 413 1.332 12.778 -9.175 1.00 0.00 H new ATOM 0 HD3 ARG A 413 -0.169 11.879 -9.083 1.00 0.00 H new ATOM 0 HE ARG A 413 0.161 11.558 -6.802 1.00 0.00 H new ATOM 0 HH11 ARG A 413 3.169 12.610 -8.329 1.00 0.00 H new ATOM 0 HH12 ARG A 413 4.006 12.828 -6.789 1.00 0.00 H new ATOM 0 HH21 ARG A 413 1.244 11.843 -4.836 1.00 0.00 H new ATOM 0 HH22 ARG A 413 2.922 12.395 -4.822 1.00 0.00 H new ATOM 115 N TRP A 414 1.908 7.416 -5.823 1.00 0.00 N ATOM 116 CA TRP A 414 1.584 6.161 -5.162 1.00 0.00 C ATOM 117 C TRP A 414 0.279 6.253 -4.382 1.00 0.00 C ATOM 118 O TRP A 414 -0.005 7.261 -3.734 1.00 0.00 O ATOM 119 CB TRP A 414 2.732 5.765 -4.239 1.00 0.00 C ATOM 120 CG TRP A 414 4.041 5.739 -4.955 1.00 0.00 C ATOM 121 CD1 TRP A 414 4.853 6.803 -5.226 1.00 0.00 C ATOM 122 CD2 TRP A 414 4.673 4.593 -5.525 1.00 0.00 C ATOM 123 NE1 TRP A 414 5.961 6.382 -5.921 1.00 0.00 N ATOM 124 CE2 TRP A 414 5.872 5.027 -6.118 1.00 0.00 C ATOM 125 CE3 TRP A 414 4.337 3.239 -5.583 1.00 0.00 C ATOM 126 CZ2 TRP A 414 6.738 4.149 -6.767 1.00 0.00 C ATOM 127 CZ3 TRP A 414 5.196 2.369 -6.227 1.00 0.00 C ATOM 128 CH2 TRP A 414 6.384 2.827 -6.812 1.00 0.00 C ATOM 0 H TRP A 414 2.169 8.172 -5.190 1.00 0.00 H new ATOM 0 HA TRP A 414 1.447 5.396 -5.926 1.00 0.00 H new ATOM 0 HB2 TRP A 414 2.787 6.467 -3.407 1.00 0.00 H new ATOM 0 HB3 TRP A 414 2.532 4.782 -3.813 1.00 0.00 H new ATOM 0 HD1 TRP A 414 4.654 7.824 -4.937 1.00 0.00 H new ATOM 0 HE1 TRP A 414 6.725 6.979 -6.239 1.00 0.00 H new ATOM 0 HE3 TRP A 414 3.424 2.879 -5.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 414 7.655 4.499 -7.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 414 4.948 1.319 -6.280 1.00 0.00 H new ATOM 0 HH2 TRP A 414 7.034 2.122 -7.309 1.00 0.00 H new ATOM 139 N ARG A 415 -0.514 5.191 -4.464 1.00 0.00 N ATOM 140 CA ARG A 415 -1.798 5.134 -3.784 1.00 0.00 C ATOM 141 C ARG A 415 -1.765 4.134 -2.629 1.00 0.00 C ATOM 142 O ARG A 415 -1.737 2.923 -2.844 1.00 0.00 O ATOM 143 CB ARG A 415 -2.898 4.751 -4.776 1.00 0.00 C ATOM 144 CG ARG A 415 -4.304 4.963 -4.237 1.00 0.00 C ATOM 145 CD ARG A 415 -5.316 5.170 -5.355 1.00 0.00 C ATOM 146 NE ARG A 415 -4.829 6.103 -6.370 1.00 0.00 N ATOM 147 CZ ARG A 415 -4.543 5.761 -7.626 1.00 0.00 C ATOM 148 NH1 ARG A 415 -4.688 4.505 -8.038 1.00 0.00 N ATOM 149 NH2 ARG A 415 -4.106 6.679 -8.475 1.00 0.00 N ATOM 0 H ARG A 415 -0.286 4.353 -4.999 1.00 0.00 H new ATOM 0 HA ARG A 415 -2.010 6.121 -3.373 1.00 0.00 H new ATOM 0 HB2 ARG A 415 -2.775 5.337 -5.687 1.00 0.00 H new ATOM 0 HB3 ARG A 415 -2.778 3.704 -5.052 1.00 0.00 H new ATOM 0 HG2 ARG A 415 -4.597 4.101 -3.638 1.00 0.00 H new ATOM 0 HG3 ARG A 415 -4.312 5.829 -3.575 1.00 0.00 H new ATOM 0 HD2 ARG A 415 -5.541 4.211 -5.822 1.00 0.00 H new ATOM 0 HD3 ARG A 415 -6.249 5.546 -4.935 1.00 0.00 H new ATOM 0 HE ARG A 415 -4.700 7.078 -6.100 1.00 0.00 H new ATOM 0 HH11 ARG A 415 -5.021 3.791 -7.390 1.00 0.00 H new ATOM 0 HH12 ARG A 415 -4.466 4.256 -9.002 1.00 0.00 H new ATOM 0 HH21 ARG A 415 -3.989 7.644 -8.167 1.00 0.00 H new ATOM 0 HH22 ARG A 415 -3.886 6.421 -9.437 1.00 0.00 H new ATOM 163 N LYS A 416 -1.781 4.653 -1.403 1.00 0.00 N ATOM 164 CA LYS A 416 -1.771 3.812 -0.209 1.00 0.00 C ATOM 165 C LYS A 416 -2.994 2.897 -0.216 1.00 0.00 C ATOM 166 O LYS A 416 -4.062 3.297 -0.676 1.00 0.00 O ATOM 167 CB LYS A 416 -1.761 4.699 1.046 1.00 0.00 C ATOM 168 CG LYS A 416 -2.064 3.963 2.345 1.00 0.00 C ATOM 169 CD LYS A 416 -2.392 4.931 3.471 1.00 0.00 C ATOM 170 CE LYS A 416 -1.257 5.914 3.718 1.00 0.00 C ATOM 171 NZ LYS A 416 -1.429 7.174 2.942 1.00 0.00 N ATOM 0 H LYS A 416 -1.801 5.655 -1.211 1.00 0.00 H new ATOM 0 HA LYS A 416 -0.874 3.192 -0.203 1.00 0.00 H new ATOM 0 HB2 LYS A 416 -0.783 5.173 1.132 1.00 0.00 H new ATOM 0 HB3 LYS A 416 -2.492 5.497 0.917 1.00 0.00 H new ATOM 0 HG2 LYS A 416 -2.902 3.283 2.192 1.00 0.00 H new ATOM 0 HG3 LYS A 416 -1.206 3.352 2.627 1.00 0.00 H new ATOM 0 HD2 LYS A 416 -3.301 5.480 3.226 1.00 0.00 H new ATOM 0 HD3 LYS A 416 -2.594 4.372 4.384 1.00 0.00 H new ATOM 0 HE2 LYS A 416 -1.205 6.148 4.781 1.00 0.00 H new ATOM 0 HE3 LYS A 416 -0.309 5.448 3.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 416 -0.831 7.143 2.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 416 -2.425 7.275 2.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 416 -1.152 7.985 3.531 1.00 0.00 H new ATOM 185 N TYR A 417 -2.848 1.669 0.286 1.00 0.00 N ATOM 186 CA TYR A 417 -3.983 0.751 0.301 1.00 0.00 C ATOM 187 C TYR A 417 -3.801 -0.442 1.240 1.00 0.00 C ATOM 188 O TYR A 417 -2.729 -1.053 1.311 1.00 0.00 O ATOM 189 CB TYR A 417 -4.279 0.251 -1.121 1.00 0.00 C ATOM 190 CG TYR A 417 -3.447 -0.943 -1.556 1.00 0.00 C ATOM 191 CD1 TYR A 417 -3.726 -2.223 -1.087 1.00 0.00 C ATOM 192 CD2 TYR A 417 -2.384 -0.790 -2.438 1.00 0.00 C ATOM 193 CE1 TYR A 417 -2.968 -3.311 -1.481 1.00 0.00 C ATOM 194 CE2 TYR A 417 -1.623 -1.873 -2.836 1.00 0.00 C ATOM 195 CZ TYR A 417 -1.919 -3.130 -2.355 1.00 0.00 C ATOM 196 OH TYR A 417 -1.163 -4.210 -2.750 1.00 0.00 O ATOM 0 H TYR A 417 -1.982 1.297 0.676 1.00 0.00 H new ATOM 0 HA TYR A 417 -4.827 1.323 0.687 1.00 0.00 H new ATOM 0 HB2 TYR A 417 -5.334 -0.014 -1.187 1.00 0.00 H new ATOM 0 HB3 TYR A 417 -4.112 1.069 -1.822 1.00 0.00 H new ATOM 0 HD1 TYR A 417 -4.549 -2.370 -0.403 1.00 0.00 H new ATOM 0 HD2 TYR A 417 -2.148 0.193 -2.819 1.00 0.00 H new ATOM 0 HE1 TYR A 417 -3.198 -4.297 -1.105 1.00 0.00 H new ATOM 0 HE2 TYR A 417 -0.800 -1.735 -3.521 1.00 0.00 H new ATOM 0 HH TYR A 417 -0.464 -3.911 -3.368 1.00 0.00 H new ATOM 206 N GLY A 418 -4.896 -0.765 1.927 1.00 0.00 N ATOM 207 CA GLY A 418 -4.939 -1.896 2.836 1.00 0.00 C ATOM 208 C GLY A 418 -3.853 -1.900 3.904 1.00 0.00 C ATOM 209 O GLY A 418 -2.826 -2.557 3.735 1.00 0.00 O ATOM 0 H GLY A 418 -5.773 -0.248 1.865 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -5.912 -1.912 3.327 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -4.860 -2.815 2.254 1.00 0.00 H new ATOM 213 N GLN A 419 -4.077 -1.200 5.019 1.00 0.00 N ATOM 214 CA GLN A 419 -3.103 -1.186 6.103 1.00 0.00 C ATOM 215 C GLN A 419 -3.307 -2.411 6.993 1.00 0.00 C ATOM 216 O GLN A 419 -4.441 -2.804 7.266 1.00 0.00 O ATOM 217 CB GLN A 419 -3.231 0.096 6.928 1.00 0.00 C ATOM 218 CG GLN A 419 -2.268 0.161 8.104 1.00 0.00 C ATOM 219 CD GLN A 419 -1.246 1.271 7.961 1.00 0.00 C ATOM 220 OE1 GLN A 419 -0.182 1.078 7.375 1.00 0.00 O ATOM 221 NE2 GLN A 419 -1.565 2.442 8.500 1.00 0.00 N ATOM 0 H GLN A 419 -4.914 -0.643 5.190 1.00 0.00 H new ATOM 0 HA GLN A 419 -2.101 -1.216 5.675 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -3.058 0.955 6.279 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -4.252 0.178 7.300 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -2.834 0.309 9.024 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -1.751 -0.794 8.198 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -2.459 2.557 8.977 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -0.916 3.226 8.437 1.00 0.00 H new ATOM 230 N LYS A 420 -2.210 -3.019 7.430 1.00 0.00 N ATOM 231 CA LYS A 420 -2.299 -4.208 8.276 1.00 0.00 C ATOM 232 C LYS A 420 -1.032 -4.424 9.099 1.00 0.00 C ATOM 233 O LYS A 420 0.034 -3.911 8.769 1.00 0.00 O ATOM 234 CB LYS A 420 -2.576 -5.441 7.413 1.00 0.00 C ATOM 235 CG LYS A 420 -3.683 -6.330 7.958 1.00 0.00 C ATOM 236 CD LYS A 420 -3.123 -7.562 8.648 1.00 0.00 C ATOM 237 CE LYS A 420 -2.590 -8.570 7.642 1.00 0.00 C ATOM 238 NZ LYS A 420 -1.366 -9.258 8.139 1.00 0.00 N ATOM 0 H LYS A 420 -1.260 -2.715 7.217 1.00 0.00 H new ATOM 0 HA LYS A 420 -3.121 -4.053 8.975 1.00 0.00 H new ATOM 0 HB2 LYS A 420 -2.844 -5.117 6.407 1.00 0.00 H new ATOM 0 HB3 LYS A 420 -1.661 -6.027 7.327 1.00 0.00 H new ATOM 0 HG2 LYS A 420 -4.292 -5.763 8.662 1.00 0.00 H new ATOM 0 HG3 LYS A 420 -4.339 -6.636 7.143 1.00 0.00 H new ATOM 0 HD2 LYS A 420 -2.324 -7.268 9.328 1.00 0.00 H new ATOM 0 HD3 LYS A 420 -3.901 -8.027 9.253 1.00 0.00 H new ATOM 0 HE2 LYS A 420 -3.361 -9.310 7.427 1.00 0.00 H new ATOM 0 HE3 LYS A 420 -2.365 -8.062 6.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 -0.614 -9.187 7.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 -1.049 -8.808 9.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 -1.580 -10.260 8.319 1.00 0.00 H new ATOM 252 N VAL A 421 -1.168 -5.206 10.167 1.00 0.00 N ATOM 253 CA VAL A 421 -0.048 -5.522 11.048 1.00 0.00 C ATOM 254 C VAL A 421 0.276 -7.013 10.968 1.00 0.00 C ATOM 255 O VAL A 421 -0.621 -7.844 10.828 1.00 0.00 O ATOM 256 CB VAL A 421 -0.341 -5.116 12.520 1.00 0.00 C ATOM 257 CG1 VAL A 421 -1.840 -5.032 12.775 1.00 0.00 C ATOM 258 CG2 VAL A 421 0.319 -6.075 13.507 1.00 0.00 C ATOM 0 H VAL A 421 -2.051 -5.635 10.444 1.00 0.00 H new ATOM 0 HA VAL A 421 0.813 -4.945 10.711 1.00 0.00 H new ATOM 0 HB VAL A 421 0.090 -4.127 12.677 1.00 0.00 H new ATOM 0 HG11 VAL A 421 -2.017 -4.746 13.812 1.00 0.00 H new ATOM 0 HG12 VAL A 421 -2.281 -4.287 12.113 1.00 0.00 H new ATOM 0 HG13 VAL A 421 -2.297 -6.003 12.583 1.00 0.00 H new ATOM 0 HG21 VAL A 421 0.093 -5.761 14.526 1.00 0.00 H new ATOM 0 HG22 VAL A 421 -0.062 -7.083 13.345 1.00 0.00 H new ATOM 0 HG23 VAL A 421 1.398 -6.067 13.356 1.00 0.00 H new ATOM 268 N VAL A 422 1.560 -7.344 11.047 1.00 0.00 N ATOM 269 CA VAL A 422 1.989 -8.735 10.968 1.00 0.00 C ATOM 270 C VAL A 422 2.843 -9.136 12.165 1.00 0.00 C ATOM 271 O VAL A 422 3.519 -8.294 12.781 1.00 0.00 O ATOM 272 CB VAL A 422 2.785 -9.003 9.679 1.00 0.00 C ATOM 273 CG1 VAL A 422 1.862 -9.017 8.470 1.00 0.00 C ATOM 274 CG2 VAL A 422 3.884 -7.965 9.507 1.00 0.00 C ATOM 0 H VAL A 422 2.318 -6.672 11.165 1.00 0.00 H new ATOM 0 HA VAL A 422 1.079 -9.335 10.966 1.00 0.00 H new ATOM 0 HB VAL A 422 3.251 -9.985 9.760 1.00 0.00 H new ATOM 0 HG11 VAL A 422 2.445 -9.208 7.569 1.00 0.00 H new ATOM 0 HG12 VAL A 422 1.115 -9.801 8.592 1.00 0.00 H new ATOM 0 HG13 VAL A 422 1.364 -8.052 8.382 1.00 0.00 H new ATOM 0 HG21 VAL A 422 4.437 -8.169 8.590 1.00 0.00 H new ATOM 0 HG22 VAL A 422 3.440 -6.971 9.449 1.00 0.00 H new ATOM 0 HG23 VAL A 422 4.563 -8.010 10.358 1.00 0.00 H new ATOM 284 N LYS A 423 2.809 -10.436 12.474 1.00 0.00 N ATOM 285 CA LYS A 423 3.572 -11.001 13.579 1.00 0.00 C ATOM 286 C LYS A 423 5.023 -11.201 13.165 1.00 0.00 C ATOM 287 O LYS A 423 5.416 -10.810 12.066 1.00 0.00 O ATOM 288 CB LYS A 423 2.963 -12.333 14.019 1.00 0.00 C ATOM 289 CG LYS A 423 1.625 -12.185 14.729 1.00 0.00 C ATOM 290 CD LYS A 423 0.487 -12.781 13.915 1.00 0.00 C ATOM 291 CE LYS A 423 -0.745 -11.890 13.942 1.00 0.00 C ATOM 292 NZ LYS A 423 -1.780 -12.343 12.970 1.00 0.00 N ATOM 0 H LYS A 423 2.251 -11.121 11.963 1.00 0.00 H new ATOM 0 HA LYS A 423 3.537 -10.307 14.418 1.00 0.00 H new ATOM 0 HB2 LYS A 423 2.832 -12.970 13.144 1.00 0.00 H new ATOM 0 HB3 LYS A 423 3.663 -12.842 14.682 1.00 0.00 H new ATOM 0 HG2 LYS A 423 1.673 -12.676 15.701 1.00 0.00 H new ATOM 0 HG3 LYS A 423 1.426 -11.129 14.914 1.00 0.00 H new ATOM 0 HD2 LYS A 423 0.812 -12.923 12.884 1.00 0.00 H new ATOM 0 HD3 LYS A 423 0.234 -13.765 14.308 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -1.168 -11.885 14.947 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -0.456 -10.864 13.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -2.603 -11.710 13.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -1.385 -12.323 12.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -2.075 -13.313 13.203 1.00 0.00 H new ATOM 306 N GLY A 424 5.825 -11.794 14.046 1.00 0.00 N ATOM 307 CA GLY A 424 7.232 -12.005 13.736 1.00 0.00 C ATOM 308 C GLY A 424 8.001 -10.695 13.675 1.00 0.00 C ATOM 309 O GLY A 424 9.207 -10.655 13.913 1.00 0.00 O ATOM 0 H GLY A 424 5.530 -12.130 14.963 1.00 0.00 H new ATOM 0 HA2 GLY A 424 7.677 -12.653 14.491 1.00 0.00 H new ATOM 0 HA3 GLY A 424 7.320 -12.522 12.781 1.00 0.00 H new ATOM 313 N ASN A 425 7.279 -9.623 13.366 1.00 0.00 N ATOM 314 CA ASN A 425 7.835 -8.289 13.274 1.00 0.00 C ATOM 315 C ASN A 425 6.743 -7.287 13.637 1.00 0.00 C ATOM 316 O ASN A 425 6.354 -6.457 12.820 1.00 0.00 O ATOM 317 CB ASN A 425 8.360 -8.028 11.858 1.00 0.00 C ATOM 318 CG ASN A 425 8.788 -6.588 11.647 1.00 0.00 C ATOM 319 OD1 ASN A 425 9.336 -5.952 12.545 1.00 0.00 O ATOM 320 ND2 ASN A 425 8.537 -6.068 10.451 1.00 0.00 N ATOM 0 H ASN A 425 6.279 -9.663 13.171 1.00 0.00 H new ATOM 0 HA ASN A 425 8.673 -8.185 13.963 1.00 0.00 H new ATOM 0 HB2 ASN A 425 9.206 -8.686 11.662 1.00 0.00 H new ATOM 0 HB3 ASN A 425 7.585 -8.282 11.135 1.00 0.00 H new ATOM 0 HD21 ASN A 425 8.801 -5.104 10.248 1.00 0.00 H new ATOM 0 HD22 ASN A 425 8.080 -6.633 9.735 1.00 0.00 H new ATOM 327 N PRO A 426 6.224 -7.388 14.882 1.00 0.00 N ATOM 328 CA PRO A 426 5.157 -6.534 15.411 1.00 0.00 C ATOM 329 C PRO A 426 5.121 -5.135 14.812 1.00 0.00 C ATOM 330 O PRO A 426 5.467 -4.157 15.477 1.00 0.00 O ATOM 331 CB PRO A 426 5.532 -6.473 16.883 1.00 0.00 C ATOM 332 CG PRO A 426 6.069 -7.835 17.187 1.00 0.00 C ATOM 333 CD PRO A 426 6.640 -8.378 15.894 1.00 0.00 C ATOM 0 HA PRO A 426 4.165 -6.927 15.188 1.00 0.00 H new ATOM 0 HB2 PRO A 426 6.278 -5.701 17.071 1.00 0.00 H new ATOM 0 HB3 PRO A 426 4.667 -6.239 17.504 1.00 0.00 H new ATOM 0 HG2 PRO A 426 6.838 -7.784 17.958 1.00 0.00 H new ATOM 0 HG3 PRO A 426 5.281 -8.486 17.565 1.00 0.00 H new ATOM 0 HD2 PRO A 426 7.725 -8.468 15.943 1.00 0.00 H new ATOM 0 HD3 PRO A 426 6.247 -9.370 15.669 1.00 0.00 H new ATOM 341 N TYR A 427 4.701 -5.042 13.559 1.00 0.00 N ATOM 342 CA TYR A 427 4.640 -3.741 12.895 1.00 0.00 C ATOM 343 C TYR A 427 3.621 -3.711 11.759 1.00 0.00 C ATOM 344 O TYR A 427 3.429 -4.699 11.051 1.00 0.00 O ATOM 345 CB TYR A 427 6.024 -3.350 12.366 1.00 0.00 C ATOM 346 CG TYR A 427 7.013 -2.966 13.451 1.00 0.00 C ATOM 347 CD1 TYR A 427 7.678 -3.936 14.194 1.00 0.00 C ATOM 348 CD2 TYR A 427 7.284 -1.632 13.726 1.00 0.00 C ATOM 349 CE1 TYR A 427 8.582 -3.586 15.178 1.00 0.00 C ATOM 350 CE2 TYR A 427 8.190 -1.275 14.708 1.00 0.00 C ATOM 351 CZ TYR A 427 8.836 -2.256 15.429 1.00 0.00 C ATOM 352 OH TYR A 427 9.737 -1.907 16.407 1.00 0.00 O ATOM 0 H TYR A 427 4.402 -5.832 12.988 1.00 0.00 H new ATOM 0 HA TYR A 427 4.314 -3.018 13.642 1.00 0.00 H new ATOM 0 HB2 TYR A 427 6.432 -4.184 11.795 1.00 0.00 H new ATOM 0 HB3 TYR A 427 5.915 -2.514 11.675 1.00 0.00 H new ATOM 0 HD1 TYR A 427 7.484 -4.980 13.998 1.00 0.00 H new ATOM 0 HD2 TYR A 427 6.779 -0.861 13.164 1.00 0.00 H new ATOM 0 HE1 TYR A 427 9.087 -4.352 15.748 1.00 0.00 H new ATOM 0 HE2 TYR A 427 8.390 -0.233 14.909 1.00 0.00 H new ATOM 0 HH TYR A 427 9.323 -1.263 17.019 1.00 0.00 H new ATOM 362 N PRO A 428 2.958 -2.552 11.570 1.00 0.00 N ATOM 363 CA PRO A 428 1.959 -2.363 10.519 1.00 0.00 C ATOM 364 C PRO A 428 2.588 -2.008 9.177 1.00 0.00 C ATOM 365 O PRO A 428 3.372 -1.064 9.077 1.00 0.00 O ATOM 366 CB PRO A 428 1.137 -1.192 11.049 1.00 0.00 C ATOM 367 CG PRO A 428 2.115 -0.367 11.811 1.00 0.00 C ATOM 368 CD PRO A 428 3.139 -1.324 12.373 1.00 0.00 C ATOM 0 HA PRO A 428 1.381 -3.267 10.327 1.00 0.00 H new ATOM 0 HB2 PRO A 428 0.686 -0.623 10.236 1.00 0.00 H new ATOM 0 HB3 PRO A 428 0.323 -1.535 11.688 1.00 0.00 H new ATOM 0 HG2 PRO A 428 2.588 0.371 11.163 1.00 0.00 H new ATOM 0 HG3 PRO A 428 1.619 0.183 12.610 1.00 0.00 H new ATOM 0 HD2 PRO A 428 4.150 -0.929 12.276 1.00 0.00 H new ATOM 0 HD3 PRO A 428 2.970 -1.512 13.433 1.00 0.00 H new ATOM 376 N ARG A 429 2.241 -2.770 8.147 1.00 0.00 N ATOM 377 CA ARG A 429 2.773 -2.537 6.809 1.00 0.00 C ATOM 378 C ARG A 429 1.735 -1.857 5.919 1.00 0.00 C ATOM 379 O ARG A 429 0.531 -1.961 6.159 1.00 0.00 O ATOM 380 CB ARG A 429 3.231 -3.856 6.173 1.00 0.00 C ATOM 381 CG ARG A 429 2.318 -5.039 6.459 1.00 0.00 C ATOM 382 CD ARG A 429 2.989 -6.358 6.104 1.00 0.00 C ATOM 383 NE ARG A 429 2.348 -7.015 4.970 1.00 0.00 N ATOM 384 CZ ARG A 429 2.863 -8.068 4.338 1.00 0.00 C ATOM 385 NH1 ARG A 429 4.025 -8.580 4.722 1.00 0.00 N ATOM 386 NH2 ARG A 429 2.213 -8.609 3.316 1.00 0.00 N ATOM 0 H ARG A 429 1.593 -3.555 8.212 1.00 0.00 H new ATOM 0 HA ARG A 429 3.634 -1.875 6.901 1.00 0.00 H new ATOM 0 HB2 ARG A 429 3.303 -3.720 5.094 1.00 0.00 H new ATOM 0 HB3 ARG A 429 4.233 -4.090 6.532 1.00 0.00 H new ATOM 0 HG2 ARG A 429 2.043 -5.041 7.514 1.00 0.00 H new ATOM 0 HG3 ARG A 429 1.395 -4.934 5.889 1.00 0.00 H new ATOM 0 HD2 ARG A 429 4.039 -6.179 5.872 1.00 0.00 H new ATOM 0 HD3 ARG A 429 2.963 -7.021 6.969 1.00 0.00 H new ATOM 0 HE ARG A 429 1.455 -6.647 4.643 1.00 0.00 H new ATOM 0 HH11 ARG A 429 4.530 -8.167 5.506 1.00 0.00 H new ATOM 0 HH12 ARG A 429 4.413 -9.387 4.233 1.00 0.00 H new ATOM 0 HH21 ARG A 429 1.320 -8.218 3.015 1.00 0.00 H new ATOM 0 HH22 ARG A 429 2.606 -9.416 2.831 1.00 0.00 H new ATOM 400 N SER A 430 2.212 -1.162 4.890 1.00 0.00 N ATOM 401 CA SER A 430 1.332 -0.463 3.955 1.00 0.00 C ATOM 402 C SER A 430 1.646 -0.882 2.523 1.00 0.00 C ATOM 403 O SER A 430 2.786 -1.218 2.206 1.00 0.00 O ATOM 404 CB SER A 430 1.493 1.051 4.106 1.00 0.00 C ATOM 405 OG SER A 430 1.384 1.442 5.464 1.00 0.00 O ATOM 0 H SER A 430 3.206 -1.067 4.681 1.00 0.00 H new ATOM 0 HA SER A 430 0.300 -0.730 4.182 1.00 0.00 H new ATOM 0 HB2 SER A 430 2.462 1.358 3.712 1.00 0.00 H new ATOM 0 HB3 SER A 430 0.733 1.562 3.515 1.00 0.00 H new ATOM 0 HG SER A 430 0.542 1.104 5.835 1.00 0.00 H new ATOM 411 N TYR A 431 0.632 -0.879 1.661 1.00 0.00 N ATOM 412 CA TYR A 431 0.826 -1.282 0.274 1.00 0.00 C ATOM 413 C TYR A 431 0.649 -0.105 -0.685 1.00 0.00 C ATOM 414 O TYR A 431 -0.469 0.317 -0.969 1.00 0.00 O ATOM 415 CB TYR A 431 -0.144 -2.413 -0.066 1.00 0.00 C ATOM 416 CG TYR A 431 -0.179 -3.493 0.994 1.00 0.00 C ATOM 417 CD1 TYR A 431 0.948 -4.256 1.266 1.00 0.00 C ATOM 418 CD2 TYR A 431 -1.331 -3.740 1.730 1.00 0.00 C ATOM 419 CE1 TYR A 431 0.930 -5.237 2.240 1.00 0.00 C ATOM 420 CE2 TYR A 431 -1.358 -4.720 2.705 1.00 0.00 C ATOM 421 CZ TYR A 431 -0.226 -5.464 2.956 1.00 0.00 C ATOM 422 OH TYR A 431 -0.248 -6.439 3.926 1.00 0.00 O ATOM 0 H TYR A 431 -0.322 -0.605 1.896 1.00 0.00 H new ATOM 0 HA TYR A 431 1.850 -1.637 0.156 1.00 0.00 H new ATOM 0 HB2 TYR A 431 -1.145 -2.001 -0.192 1.00 0.00 H new ATOM 0 HB3 TYR A 431 0.141 -2.856 -1.020 1.00 0.00 H new ATOM 0 HD1 TYR A 431 1.855 -4.080 0.707 1.00 0.00 H new ATOM 0 HD2 TYR A 431 -2.220 -3.157 1.538 1.00 0.00 H new ATOM 0 HE1 TYR A 431 1.816 -5.822 2.439 1.00 0.00 H new ATOM 0 HE2 TYR A 431 -2.262 -4.901 3.267 1.00 0.00 H new ATOM 0 HH TYR A 431 -1.137 -6.471 4.338 1.00 0.00 H new ATOM 432 N TYR A 432 1.771 0.426 -1.174 1.00 0.00 N ATOM 433 CA TYR A 432 1.754 1.560 -2.098 1.00 0.00 C ATOM 434 C TYR A 432 1.949 1.097 -3.537 1.00 0.00 C ATOM 435 O TYR A 432 2.947 0.456 -3.860 1.00 0.00 O ATOM 436 CB TYR A 432 2.861 2.552 -1.740 1.00 0.00 C ATOM 437 CG TYR A 432 2.639 3.272 -0.433 1.00 0.00 C ATOM 438 CD1 TYR A 432 1.915 4.454 -0.390 1.00 0.00 C ATOM 439 CD2 TYR A 432 3.158 2.774 0.753 1.00 0.00 C ATOM 440 CE1 TYR A 432 1.711 5.121 0.803 1.00 0.00 C ATOM 441 CE2 TYR A 432 2.960 3.434 1.952 1.00 0.00 C ATOM 442 CZ TYR A 432 2.235 4.606 1.971 1.00 0.00 C ATOM 443 OH TYR A 432 2.035 5.268 3.159 1.00 0.00 O ATOM 0 H TYR A 432 2.705 0.087 -0.944 1.00 0.00 H new ATOM 0 HA TYR A 432 0.782 2.044 -2.010 1.00 0.00 H new ATOM 0 HB2 TYR A 432 3.811 2.020 -1.693 1.00 0.00 H new ATOM 0 HB3 TYR A 432 2.947 3.288 -2.539 1.00 0.00 H new ATOM 0 HD1 TYR A 432 1.504 4.859 -1.303 1.00 0.00 H new ATOM 0 HD2 TYR A 432 3.726 1.856 0.740 1.00 0.00 H new ATOM 0 HE1 TYR A 432 1.145 6.040 0.821 1.00 0.00 H new ATOM 0 HE2 TYR A 432 3.371 3.034 2.867 1.00 0.00 H new ATOM 0 HH TYR A 432 2.468 4.773 3.886 1.00 0.00 H new ATOM 453 N LYS A 433 0.999 1.431 -4.407 1.00 0.00 N ATOM 454 CA LYS A 433 1.094 1.044 -5.813 1.00 0.00 C ATOM 455 C LYS A 433 1.167 2.266 -6.726 1.00 0.00 C ATOM 456 O LYS A 433 0.293 3.132 -6.695 1.00 0.00 O ATOM 457 CB LYS A 433 -0.092 0.161 -6.209 1.00 0.00 C ATOM 458 CG LYS A 433 -1.445 0.820 -6.001 1.00 0.00 C ATOM 459 CD LYS A 433 -2.544 -0.219 -5.832 1.00 0.00 C ATOM 460 CE LYS A 433 -2.690 -1.088 -7.071 1.00 0.00 C ATOM 461 NZ LYS A 433 -2.410 -2.521 -6.780 1.00 0.00 N ATOM 0 H LYS A 433 0.163 1.963 -4.167 1.00 0.00 H new ATOM 0 HA LYS A 433 2.016 0.476 -5.936 1.00 0.00 H new ATOM 0 HB2 LYS A 433 0.009 -0.117 -7.258 1.00 0.00 H new ATOM 0 HB3 LYS A 433 -0.055 -0.762 -5.630 1.00 0.00 H new ATOM 0 HG2 LYS A 433 -1.409 1.461 -5.120 1.00 0.00 H new ATOM 0 HG3 LYS A 433 -1.675 1.461 -6.852 1.00 0.00 H new ATOM 0 HD2 LYS A 433 -2.321 -0.848 -4.970 1.00 0.00 H new ATOM 0 HD3 LYS A 433 -3.490 0.282 -5.625 1.00 0.00 H new ATOM 0 HE2 LYS A 433 -3.701 -0.989 -7.467 1.00 0.00 H new ATOM 0 HE3 LYS A 433 -2.008 -0.735 -7.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 -2.520 -3.080 -7.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 -1.437 -2.620 -6.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 -3.077 -2.866 -6.060 1.00 0.00 H new ATOM 475 N CYS A 434 2.219 2.324 -7.540 1.00 0.00 N ATOM 476 CA CYS A 434 2.415 3.432 -8.469 1.00 0.00 C ATOM 477 C CYS A 434 1.575 3.246 -9.728 1.00 0.00 C ATOM 478 O CYS A 434 1.748 2.278 -10.467 1.00 0.00 O ATOM 479 CB CYS A 434 3.899 3.557 -8.847 1.00 0.00 C ATOM 480 SG CYS A 434 4.233 4.668 -10.241 1.00 0.00 S ATOM 0 H CYS A 434 2.950 1.614 -7.574 1.00 0.00 H new ATOM 0 HA CYS A 434 2.094 4.347 -7.971 1.00 0.00 H new ATOM 0 HB2 CYS A 434 4.453 3.910 -7.977 1.00 0.00 H new ATOM 0 HB3 CYS A 434 4.283 2.566 -9.089 1.00 0.00 H new ATOM 0 HG CYS A 434 5.410 5.202 -10.098 1.00 0.00 H new ATOM 485 N THR A 435 0.674 4.188 -9.969 1.00 0.00 N ATOM 486 CA THR A 435 -0.181 4.144 -11.143 1.00 0.00 C ATOM 487 C THR A 435 0.327 5.130 -12.187 1.00 0.00 C ATOM 488 O THR A 435 1.197 5.952 -11.896 1.00 0.00 O ATOM 489 CB THR A 435 -1.646 4.483 -10.793 1.00 0.00 C ATOM 490 OG1 THR A 435 -1.811 5.902 -10.690 1.00 0.00 O ATOM 491 CG2 THR A 435 -2.062 3.825 -9.483 1.00 0.00 C ATOM 0 H THR A 435 0.517 4.994 -9.364 1.00 0.00 H new ATOM 0 HA THR A 435 -0.150 3.129 -11.538 1.00 0.00 H new ATOM 0 HB THR A 435 -2.281 4.099 -11.591 1.00 0.00 H new ATOM 0 HG1 THR A 435 -2.665 6.162 -11.094 1.00 0.00 H new ATOM 0 HG21 THR A 435 -3.098 4.080 -9.260 1.00 0.00 H new ATOM 0 HG22 THR A 435 -1.966 2.743 -9.573 1.00 0.00 H new ATOM 0 HG23 THR A 435 -1.420 4.180 -8.677 1.00 0.00 H new ATOM 499 N THR A 436 -0.224 5.066 -13.392 1.00 0.00 N ATOM 500 CA THR A 436 0.161 5.969 -14.471 1.00 0.00 C ATOM 501 C THR A 436 -0.688 5.659 -15.701 1.00 0.00 C ATOM 502 O THR A 436 -1.425 4.673 -15.705 1.00 0.00 O ATOM 503 CB THR A 436 1.657 5.853 -14.824 1.00 0.00 C ATOM 504 OG1 THR A 436 2.301 4.928 -13.940 1.00 0.00 O ATOM 505 CG2 THR A 436 2.342 7.208 -14.731 1.00 0.00 C ATOM 0 H THR A 436 -0.945 4.392 -13.649 1.00 0.00 H new ATOM 0 HA THR A 436 -0.010 6.992 -14.135 1.00 0.00 H new ATOM 0 HB THR A 436 1.737 5.491 -15.849 1.00 0.00 H new ATOM 0 HG1 THR A 436 3.261 4.901 -14.137 1.00 0.00 H new ATOM 0 HG21 THR A 436 3.397 7.101 -14.984 1.00 0.00 H new ATOM 0 HG22 THR A 436 1.871 7.903 -15.426 1.00 0.00 H new ATOM 0 HG23 THR A 436 2.250 7.593 -13.715 1.00 0.00 H new ATOM 513 N PRO A 437 -0.614 6.475 -16.764 1.00 0.00 N ATOM 514 CA PRO A 437 -1.404 6.227 -17.969 1.00 0.00 C ATOM 515 C PRO A 437 -1.162 4.822 -18.511 1.00 0.00 C ATOM 516 O PRO A 437 -2.105 4.075 -18.772 1.00 0.00 O ATOM 517 CB PRO A 437 -0.943 7.314 -18.956 1.00 0.00 C ATOM 518 CG PRO A 437 -0.292 8.362 -18.112 1.00 0.00 C ATOM 519 CD PRO A 437 0.231 7.672 -16.880 1.00 0.00 C ATOM 0 HA PRO A 437 -2.477 6.276 -17.784 1.00 0.00 H new ATOM 0 HB2 PRO A 437 -0.245 6.909 -19.689 1.00 0.00 H new ATOM 0 HB3 PRO A 437 -1.786 7.724 -19.512 1.00 0.00 H new ATOM 0 HG2 PRO A 437 0.519 8.847 -18.656 1.00 0.00 H new ATOM 0 HG3 PRO A 437 -1.006 9.140 -17.844 1.00 0.00 H new ATOM 0 HD2 PRO A 437 1.284 7.410 -16.985 1.00 0.00 H new ATOM 0 HD3 PRO A 437 0.147 8.308 -15.999 1.00 0.00 H new ATOM 527 N GLY A 438 0.106 4.467 -18.670 1.00 0.00 N ATOM 528 CA GLY A 438 0.450 3.150 -19.171 1.00 0.00 C ATOM 529 C GLY A 438 1.409 2.419 -18.255 1.00 0.00 C ATOM 530 O GLY A 438 2.213 1.604 -18.712 1.00 0.00 O ATOM 0 H GLY A 438 0.903 5.068 -18.461 1.00 0.00 H new ATOM 0 HA2 GLY A 438 -0.459 2.559 -19.288 1.00 0.00 H new ATOM 0 HA3 GLY A 438 0.898 3.246 -20.160 1.00 0.00 H new ATOM 534 N CYS A 439 1.338 2.715 -16.960 1.00 0.00 N ATOM 535 CA CYS A 439 2.222 2.079 -15.991 1.00 0.00 C ATOM 536 C CYS A 439 1.492 1.726 -14.695 1.00 0.00 C ATOM 537 O CYS A 439 0.546 2.407 -14.278 1.00 0.00 O ATOM 538 CB CYS A 439 3.418 2.993 -15.697 1.00 0.00 C ATOM 539 SG CYS A 439 4.293 2.641 -14.146 1.00 0.00 S ATOM 0 H CYS A 439 0.682 3.386 -16.561 1.00 0.00 H new ATOM 0 HA CYS A 439 2.576 1.145 -16.428 1.00 0.00 H new ATOM 0 HB2 CYS A 439 4.127 2.915 -16.522 1.00 0.00 H new ATOM 0 HB3 CYS A 439 3.069 4.025 -15.673 1.00 0.00 H new ATOM 0 HG CYS A 439 3.629 3.146 -13.149 1.00 0.00 H new ATOM 544 N GLY A 440 1.970 0.655 -14.067 1.00 0.00 N ATOM 545 CA GLY A 440 1.406 0.186 -12.817 1.00 0.00 C ATOM 546 C GLY A 440 2.390 -0.674 -12.046 1.00 0.00 C ATOM 547 O GLY A 440 2.654 -1.815 -12.427 1.00 0.00 O ATOM 0 H GLY A 440 2.751 0.097 -14.411 1.00 0.00 H new ATOM 0 HA2 GLY A 440 1.113 1.040 -12.207 1.00 0.00 H new ATOM 0 HA3 GLY A 440 0.501 -0.387 -13.018 1.00 0.00 H new ATOM 551 N VAL A 441 2.937 -0.130 -10.964 1.00 0.00 N ATOM 552 CA VAL A 441 3.898 -0.857 -10.140 1.00 0.00 C ATOM 553 C VAL A 441 3.436 -0.895 -8.690 1.00 0.00 C ATOM 554 O VAL A 441 2.687 -0.025 -8.249 1.00 0.00 O ATOM 555 CB VAL A 441 5.301 -0.209 -10.224 1.00 0.00 C ATOM 556 CG1 VAL A 441 6.186 -0.638 -9.062 1.00 0.00 C ATOM 557 CG2 VAL A 441 5.961 -0.551 -11.549 1.00 0.00 C ATOM 0 H VAL A 441 2.731 0.814 -10.636 1.00 0.00 H new ATOM 0 HA VAL A 441 3.961 -1.876 -10.521 1.00 0.00 H new ATOM 0 HB VAL A 441 5.173 0.872 -10.160 1.00 0.00 H new ATOM 0 HG11 VAL A 441 7.163 -0.164 -9.154 1.00 0.00 H new ATOM 0 HG12 VAL A 441 5.724 -0.337 -8.122 1.00 0.00 H new ATOM 0 HG13 VAL A 441 6.306 -1.721 -9.077 1.00 0.00 H new ATOM 0 HG21 VAL A 441 6.947 -0.089 -11.594 1.00 0.00 H new ATOM 0 HG22 VAL A 441 6.063 -1.633 -11.636 1.00 0.00 H new ATOM 0 HG23 VAL A 441 5.347 -0.177 -12.368 1.00 0.00 H new ATOM 567 N ARG A 442 3.877 -1.905 -7.945 1.00 0.00 N ATOM 568 CA ARG A 442 3.492 -2.034 -6.544 1.00 0.00 C ATOM 569 C ARG A 442 4.710 -1.942 -5.631 1.00 0.00 C ATOM 570 O ARG A 442 5.821 -2.300 -6.020 1.00 0.00 O ATOM 571 CB ARG A 442 2.761 -3.357 -6.312 1.00 0.00 C ATOM 572 CG ARG A 442 1.275 -3.288 -6.625 1.00 0.00 C ATOM 573 CD ARG A 442 0.749 -4.615 -7.150 1.00 0.00 C ATOM 574 NE ARG A 442 1.148 -4.856 -8.536 1.00 0.00 N ATOM 575 CZ ARG A 442 2.199 -5.593 -8.894 1.00 0.00 C ATOM 576 NH1 ARG A 442 2.967 -6.168 -7.977 1.00 0.00 N ATOM 577 NH2 ARG A 442 2.483 -5.753 -10.179 1.00 0.00 N ATOM 0 H ARG A 442 4.496 -2.640 -8.285 1.00 0.00 H new ATOM 0 HA ARG A 442 2.820 -1.210 -6.303 1.00 0.00 H new ATOM 0 HB2 ARG A 442 3.219 -4.130 -6.929 1.00 0.00 H new ATOM 0 HB3 ARG A 442 2.892 -3.659 -5.273 1.00 0.00 H new ATOM 0 HG2 ARG A 442 0.726 -3.009 -5.726 1.00 0.00 H new ATOM 0 HG3 ARG A 442 1.094 -2.507 -7.364 1.00 0.00 H new ATOM 0 HD2 ARG A 442 1.118 -5.425 -6.521 1.00 0.00 H new ATOM 0 HD3 ARG A 442 -0.339 -4.627 -7.079 1.00 0.00 H new ATOM 0 HE ARG A 442 0.587 -4.433 -9.275 1.00 0.00 H new ATOM 0 HH11 ARG A 442 2.755 -6.048 -6.986 1.00 0.00 H new ATOM 0 HH12 ARG A 442 3.769 -6.730 -8.263 1.00 0.00 H new ATOM 0 HH21 ARG A 442 1.898 -5.313 -10.889 1.00 0.00 H new ATOM 0 HH22 ARG A 442 3.287 -6.316 -10.457 1.00 0.00 H new ATOM 591 N LYS A 443 4.491 -1.451 -4.416 1.00 0.00 N ATOM 592 CA LYS A 443 5.566 -1.298 -3.442 1.00 0.00 C ATOM 593 C LYS A 443 5.077 -1.642 -2.039 1.00 0.00 C ATOM 594 O LYS A 443 3.995 -1.221 -1.628 1.00 0.00 O ATOM 595 CB LYS A 443 6.104 0.135 -3.477 1.00 0.00 C ATOM 596 CG LYS A 443 7.183 0.420 -2.445 1.00 0.00 C ATOM 597 CD LYS A 443 7.881 1.744 -2.726 1.00 0.00 C ATOM 598 CE LYS A 443 7.497 2.809 -1.710 1.00 0.00 C ATOM 599 NZ LYS A 443 8.665 3.638 -1.304 1.00 0.00 N ATOM 0 H LYS A 443 3.575 -1.151 -4.081 1.00 0.00 H new ATOM 0 HA LYS A 443 6.369 -1.987 -3.703 1.00 0.00 H new ATOM 0 HB2 LYS A 443 6.505 0.337 -4.470 1.00 0.00 H new ATOM 0 HB3 LYS A 443 5.276 0.826 -3.321 1.00 0.00 H new ATOM 0 HG2 LYS A 443 6.740 0.444 -1.449 1.00 0.00 H new ATOM 0 HG3 LYS A 443 7.915 -0.388 -2.449 1.00 0.00 H new ATOM 0 HD2 LYS A 443 8.961 1.597 -2.709 1.00 0.00 H new ATOM 0 HD3 LYS A 443 7.622 2.087 -3.728 1.00 0.00 H new ATOM 0 HE2 LYS A 443 6.725 3.452 -2.133 1.00 0.00 H new ATOM 0 HE3 LYS A 443 7.067 2.332 -0.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 8.941 3.396 -0.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 9.462 3.453 -1.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 8.409 4.645 -1.351 1.00 0.00 H new ATOM 613 N HIS A 444 5.879 -2.409 -1.309 1.00 0.00 N ATOM 614 CA HIS A 444 5.527 -2.807 0.048 1.00 0.00 C ATOM 615 C HIS A 444 6.462 -2.151 1.060 1.00 0.00 C ATOM 616 O HIS A 444 7.682 -2.189 0.906 1.00 0.00 O ATOM 617 CB HIS A 444 5.593 -4.328 0.188 1.00 0.00 C ATOM 618 CG HIS A 444 4.569 -5.050 -0.631 1.00 0.00 C ATOM 619 ND1 HIS A 444 4.672 -5.208 -1.997 1.00 0.00 N ATOM 620 CD2 HIS A 444 3.416 -5.658 -0.269 1.00 0.00 C ATOM 621 CE1 HIS A 444 3.626 -5.884 -2.439 1.00 0.00 C ATOM 622 NE2 HIS A 444 2.849 -6.170 -1.410 1.00 0.00 N ATOM 0 H HIS A 444 6.777 -2.767 -1.634 1.00 0.00 H new ATOM 0 HA HIS A 444 4.508 -2.476 0.248 1.00 0.00 H new ATOM 0 HB2 HIS A 444 6.586 -4.669 -0.105 1.00 0.00 H new ATOM 0 HB3 HIS A 444 5.461 -4.594 1.237 1.00 0.00 H new ATOM 0 HD1 HIS A 444 5.436 -4.858 -2.576 1.00 0.00 H new ATOM 0 HD2 HIS A 444 3.016 -5.728 0.732 1.00 0.00 H new ATOM 0 HE1 HIS A 444 3.438 -6.156 -3.467 1.00 0.00 H new ATOM 631 N VAL A 445 5.881 -1.546 2.090 1.00 0.00 N ATOM 632 CA VAL A 445 6.666 -0.877 3.120 1.00 0.00 C ATOM 633 C VAL A 445 6.579 -1.620 4.450 1.00 0.00 C ATOM 634 O VAL A 445 5.493 -1.808 4.999 1.00 0.00 O ATOM 635 CB VAL A 445 6.188 0.576 3.316 1.00 0.00 C ATOM 636 CG1 VAL A 445 7.011 1.288 4.378 1.00 0.00 C ATOM 637 CG2 VAL A 445 6.244 1.335 1.997 1.00 0.00 C ATOM 0 H VAL A 445 4.872 -1.505 2.234 1.00 0.00 H new ATOM 0 HA VAL A 445 7.703 -0.873 2.785 1.00 0.00 H new ATOM 0 HB VAL A 445 5.154 0.548 3.659 1.00 0.00 H new ATOM 0 HG11 VAL A 445 6.650 2.310 4.493 1.00 0.00 H new ATOM 0 HG12 VAL A 445 6.915 0.760 5.327 1.00 0.00 H new ATOM 0 HG13 VAL A 445 8.058 1.305 4.076 1.00 0.00 H new ATOM 0 HG21 VAL A 445 5.904 2.359 2.152 1.00 0.00 H new ATOM 0 HG22 VAL A 445 7.269 1.345 1.626 1.00 0.00 H new ATOM 0 HG23 VAL A 445 5.599 0.845 1.267 1.00 0.00 H new ATOM 647 N GLU A 446 7.733 -2.043 4.959 1.00 0.00 N ATOM 648 CA GLU A 446 7.798 -2.768 6.223 1.00 0.00 C ATOM 649 C GLU A 446 8.960 -2.272 7.072 1.00 0.00 C ATOM 650 O GLU A 446 9.962 -1.797 6.546 1.00 0.00 O ATOM 651 CB GLU A 446 7.963 -4.266 5.965 1.00 0.00 C ATOM 652 CG GLU A 446 6.650 -4.994 5.745 1.00 0.00 C ATOM 653 CD GLU A 446 6.223 -5.806 6.952 1.00 0.00 C ATOM 654 OE1 GLU A 446 6.228 -5.253 8.073 1.00 0.00 O ATOM 655 OE2 GLU A 446 5.883 -6.995 6.779 1.00 0.00 O ATOM 0 H GLU A 446 8.638 -1.895 4.513 1.00 0.00 H new ATOM 0 HA GLU A 446 6.867 -2.591 6.761 1.00 0.00 H new ATOM 0 HB2 GLU A 446 8.598 -4.408 5.090 1.00 0.00 H new ATOM 0 HB3 GLU A 446 8.481 -4.717 6.811 1.00 0.00 H new ATOM 0 HG2 GLU A 446 5.872 -4.268 5.507 1.00 0.00 H new ATOM 0 HG3 GLU A 446 6.745 -5.654 4.883 1.00 0.00 H new ATOM 662 N ARG A 447 8.822 -2.385 8.387 1.00 0.00 N ATOM 663 CA ARG A 447 9.871 -1.949 9.299 1.00 0.00 C ATOM 664 C ARG A 447 10.622 -3.145 9.871 1.00 0.00 C ATOM 665 O ARG A 447 10.211 -4.290 9.693 1.00 0.00 O ATOM 666 CB ARG A 447 9.276 -1.111 10.432 1.00 0.00 C ATOM 667 CG ARG A 447 9.308 0.384 10.156 1.00 0.00 C ATOM 668 CD ARG A 447 7.993 1.051 10.527 1.00 0.00 C ATOM 669 NE ARG A 447 8.196 2.221 11.378 1.00 0.00 N ATOM 670 CZ ARG A 447 7.217 2.844 12.031 1.00 0.00 C ATOM 671 NH1 ARG A 447 5.968 2.404 11.945 1.00 0.00 N ATOM 672 NH2 ARG A 447 7.489 3.909 12.774 1.00 0.00 N ATOM 0 H ARG A 447 7.997 -2.773 8.844 1.00 0.00 H new ATOM 0 HA ARG A 447 10.576 -1.335 8.738 1.00 0.00 H new ATOM 0 HB2 ARG A 447 8.244 -1.420 10.600 1.00 0.00 H new ATOM 0 HB3 ARG A 447 9.824 -1.315 11.352 1.00 0.00 H new ATOM 0 HG2 ARG A 447 10.120 0.841 10.721 1.00 0.00 H new ATOM 0 HG3 ARG A 447 9.518 0.555 9.100 1.00 0.00 H new ATOM 0 HD2 ARG A 447 7.469 1.349 9.619 1.00 0.00 H new ATOM 0 HD3 ARG A 447 7.355 0.333 11.043 1.00 0.00 H new ATOM 0 HE ARG A 447 9.145 2.582 11.478 1.00 0.00 H new ATOM 0 HH11 ARG A 447 5.754 1.585 11.377 1.00 0.00 H new ATOM 0 HH12 ARG A 447 5.222 2.885 12.447 1.00 0.00 H new ATOM 0 HH21 ARG A 447 8.448 4.250 12.845 1.00 0.00 H new ATOM 0 HH22 ARG A 447 6.739 4.387 13.274 1.00 0.00 H new ATOM 686 N ALA A 448 11.727 -2.872 10.557 1.00 0.00 N ATOM 687 CA ALA A 448 12.533 -3.928 11.154 1.00 0.00 C ATOM 688 C ALA A 448 12.143 -4.154 12.610 1.00 0.00 C ATOM 689 O ALA A 448 12.115 -3.216 13.408 1.00 0.00 O ATOM 690 CB ALA A 448 14.010 -3.584 11.043 1.00 0.00 C ATOM 0 H ALA A 448 12.084 -1.929 10.713 1.00 0.00 H new ATOM 0 HA ALA A 448 12.346 -4.854 10.610 1.00 0.00 H new ATOM 0 HB1 ALA A 448 14.604 -4.380 11.492 1.00 0.00 H new ATOM 0 HB2 ALA A 448 14.281 -3.478 9.993 1.00 0.00 H new ATOM 0 HB3 ALA A 448 14.206 -2.647 11.564 1.00 0.00 H new ATOM 696 N ALA A 449 11.828 -5.403 12.947 1.00 0.00 N ATOM 697 CA ALA A 449 11.421 -5.753 14.307 1.00 0.00 C ATOM 698 C ALA A 449 12.333 -5.116 15.353 1.00 0.00 C ATOM 699 O ALA A 449 11.860 -4.453 16.277 1.00 0.00 O ATOM 700 CB ALA A 449 11.407 -7.264 14.474 1.00 0.00 C ATOM 0 H ALA A 449 11.847 -6.189 12.298 1.00 0.00 H new ATOM 0 HA ALA A 449 10.416 -5.362 14.464 1.00 0.00 H new ATOM 0 HB1 ALA A 449 11.103 -7.515 15.490 1.00 0.00 H new ATOM 0 HB2 ALA A 449 10.703 -7.702 13.766 1.00 0.00 H new ATOM 0 HB3 ALA A 449 12.405 -7.660 14.286 1.00 0.00 H new ATOM 706 N THR A 450 13.637 -5.326 15.212 1.00 0.00 N ATOM 707 CA THR A 450 14.604 -4.779 16.158 1.00 0.00 C ATOM 708 C THR A 450 15.088 -3.390 15.742 1.00 0.00 C ATOM 709 O THR A 450 16.077 -2.887 16.273 1.00 0.00 O ATOM 710 CB THR A 450 15.821 -5.709 16.308 1.00 0.00 C ATOM 711 OG1 THR A 450 16.035 -6.437 15.092 1.00 0.00 O ATOM 712 CG2 THR A 450 15.616 -6.683 17.458 1.00 0.00 C ATOM 0 H THR A 450 14.049 -5.870 14.454 1.00 0.00 H new ATOM 0 HA THR A 450 14.087 -4.697 17.114 1.00 0.00 H new ATOM 0 HB THR A 450 16.696 -5.096 16.522 1.00 0.00 H new ATOM 0 HG1 THR A 450 16.812 -7.025 15.195 1.00 0.00 H new ATOM 0 HG21 THR A 450 16.488 -7.331 17.546 1.00 0.00 H new ATOM 0 HG22 THR A 450 15.482 -6.127 18.386 1.00 0.00 H new ATOM 0 HG23 THR A 450 14.731 -7.290 17.267 1.00 0.00 H new ATOM 720 N ASP A 451 14.389 -2.773 14.793 1.00 0.00 N ATOM 721 CA ASP A 451 14.757 -1.443 14.320 1.00 0.00 C ATOM 722 C ASP A 451 13.549 -0.726 13.725 1.00 0.00 C ATOM 723 O ASP A 451 13.274 -0.844 12.530 1.00 0.00 O ATOM 724 CB ASP A 451 15.875 -1.535 13.280 1.00 0.00 C ATOM 725 CG ASP A 451 16.684 -0.255 13.191 1.00 0.00 C ATOM 726 OD1 ASP A 451 16.083 0.812 12.949 1.00 0.00 O ATOM 727 OD2 ASP A 451 17.920 -0.321 13.366 1.00 0.00 O ATOM 0 H ASP A 451 13.568 -3.172 14.338 1.00 0.00 H new ATOM 0 HA ASP A 451 15.116 -0.868 15.174 1.00 0.00 H new ATOM 0 HB2 ASP A 451 16.536 -2.364 13.533 1.00 0.00 H new ATOM 0 HB3 ASP A 451 15.443 -1.758 12.304 1.00 0.00 H new ATOM 732 N PRO A 452 12.808 0.031 14.552 1.00 0.00 N ATOM 733 CA PRO A 452 11.623 0.768 14.104 1.00 0.00 C ATOM 734 C PRO A 452 11.979 1.930 13.184 1.00 0.00 C ATOM 735 O PRO A 452 11.146 2.399 12.408 1.00 0.00 O ATOM 736 CB PRO A 452 10.992 1.293 15.404 1.00 0.00 C ATOM 737 CG PRO A 452 11.705 0.594 16.515 1.00 0.00 C ATOM 738 CD PRO A 452 13.060 0.229 15.985 1.00 0.00 C ATOM 0 HA PRO A 452 10.954 0.132 13.524 1.00 0.00 H new ATOM 0 HB2 PRO A 452 11.106 2.374 15.485 1.00 0.00 H new ATOM 0 HB3 PRO A 452 9.923 1.083 15.432 1.00 0.00 H new ATOM 0 HG2 PRO A 452 11.791 1.240 17.389 1.00 0.00 H new ATOM 0 HG3 PRO A 452 11.158 -0.295 16.829 1.00 0.00 H new ATOM 0 HD2 PRO A 452 13.789 1.019 16.162 1.00 0.00 H new ATOM 0 HD3 PRO A 452 13.448 -0.674 16.456 1.00 0.00 H new ATOM 746 N LYS A 453 13.222 2.395 13.278 1.00 0.00 N ATOM 747 CA LYS A 453 13.686 3.509 12.458 1.00 0.00 C ATOM 748 C LYS A 453 14.079 3.044 11.057 1.00 0.00 C ATOM 749 O LYS A 453 14.173 3.853 10.134 1.00 0.00 O ATOM 750 CB LYS A 453 14.874 4.201 13.126 1.00 0.00 C ATOM 751 CG LYS A 453 14.694 4.413 14.622 1.00 0.00 C ATOM 752 CD LYS A 453 15.690 3.591 15.427 1.00 0.00 C ATOM 753 CE LYS A 453 17.125 3.990 15.114 1.00 0.00 C ATOM 754 NZ LYS A 453 17.793 3.008 14.215 1.00 0.00 N ATOM 0 H LYS A 453 13.925 2.018 13.913 1.00 0.00 H new ATOM 0 HA LYS A 453 12.862 4.216 12.364 1.00 0.00 H new ATOM 0 HB2 LYS A 453 15.772 3.606 12.957 1.00 0.00 H new ATOM 0 HB3 LYS A 453 15.037 5.167 12.648 1.00 0.00 H new ATOM 0 HG2 LYS A 453 14.818 5.470 14.858 1.00 0.00 H new ATOM 0 HG3 LYS A 453 13.679 4.139 14.909 1.00 0.00 H new ATOM 0 HD2 LYS A 453 15.498 3.725 16.491 1.00 0.00 H new ATOM 0 HD3 LYS A 453 15.550 2.532 15.209 1.00 0.00 H new ATOM 0 HE2 LYS A 453 17.134 4.974 14.646 1.00 0.00 H new ATOM 0 HE3 LYS A 453 17.689 4.073 16.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 18.576 2.550 14.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 17.105 2.287 13.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 18.164 3.501 13.378 1.00 0.00 H new ATOM 768 N ALA A 454 14.309 1.743 10.899 1.00 0.00 N ATOM 769 CA ALA A 454 14.693 1.190 9.605 1.00 0.00 C ATOM 770 C ALA A 454 13.478 0.663 8.851 1.00 0.00 C ATOM 771 O ALA A 454 12.691 -0.114 9.392 1.00 0.00 O ATOM 772 CB ALA A 454 15.721 0.086 9.792 1.00 0.00 C ATOM 0 H ALA A 454 14.236 1.055 11.648 1.00 0.00 H new ATOM 0 HA ALA A 454 15.136 1.989 9.011 1.00 0.00 H new ATOM 0 HB1 ALA A 454 16.000 -0.320 8.820 1.00 0.00 H new ATOM 0 HB2 ALA A 454 16.605 0.492 10.284 1.00 0.00 H new ATOM 0 HB3 ALA A 454 15.296 -0.707 10.407 1.00 0.00 H new ATOM 778 N VAL A 455 13.325 1.095 7.603 1.00 0.00 N ATOM 779 CA VAL A 455 12.199 0.671 6.781 1.00 0.00 C ATOM 780 C VAL A 455 12.667 -0.068 5.529 1.00 0.00 C ATOM 781 O VAL A 455 13.660 0.308 4.906 1.00 0.00 O ATOM 782 CB VAL A 455 11.334 1.873 6.358 1.00 0.00 C ATOM 783 CG1 VAL A 455 10.066 1.405 5.664 1.00 0.00 C ATOM 784 CG2 VAL A 455 11.001 2.739 7.564 1.00 0.00 C ATOM 0 H VAL A 455 13.967 1.738 7.140 1.00 0.00 H new ATOM 0 HA VAL A 455 11.603 -0.006 7.392 1.00 0.00 H new ATOM 0 HB VAL A 455 11.904 2.475 5.650 1.00 0.00 H new ATOM 0 HG11 VAL A 455 9.470 2.270 5.374 1.00 0.00 H new ATOM 0 HG12 VAL A 455 10.328 0.830 4.776 1.00 0.00 H new ATOM 0 HG13 VAL A 455 9.489 0.778 6.344 1.00 0.00 H new ATOM 0 HG21 VAL A 455 10.389 3.584 7.247 1.00 0.00 H new ATOM 0 HG22 VAL A 455 10.452 2.147 8.296 1.00 0.00 H new ATOM 0 HG23 VAL A 455 11.923 3.107 8.013 1.00 0.00 H new ATOM 794 N VAL A 456 11.936 -1.118 5.166 1.00 0.00 N ATOM 795 CA VAL A 456 12.260 -1.915 3.988 1.00 0.00 C ATOM 796 C VAL A 456 11.328 -1.563 2.832 1.00 0.00 C ATOM 797 O VAL A 456 10.124 -1.386 3.030 1.00 0.00 O ATOM 798 CB VAL A 456 12.173 -3.438 4.283 1.00 0.00 C ATOM 799 CG1 VAL A 456 12.450 -3.727 5.752 1.00 0.00 C ATOM 800 CG2 VAL A 456 10.816 -4.007 3.880 1.00 0.00 C ATOM 0 H VAL A 456 11.111 -1.438 5.674 1.00 0.00 H new ATOM 0 HA VAL A 456 13.288 -1.680 3.711 1.00 0.00 H new ATOM 0 HB VAL A 456 12.939 -3.929 3.682 1.00 0.00 H new ATOM 0 HG11 VAL A 456 12.383 -4.800 5.931 1.00 0.00 H new ATOM 0 HG12 VAL A 456 13.450 -3.378 6.009 1.00 0.00 H new ATOM 0 HG13 VAL A 456 11.716 -3.210 6.369 1.00 0.00 H new ATOM 0 HG21 VAL A 456 10.789 -5.074 4.100 1.00 0.00 H new ATOM 0 HG22 VAL A 456 10.029 -3.501 4.439 1.00 0.00 H new ATOM 0 HG23 VAL A 456 10.659 -3.852 2.812 1.00 0.00 H new ATOM 810 N THR A 457 11.880 -1.457 1.629 1.00 0.00 N ATOM 811 CA THR A 457 11.079 -1.122 0.460 1.00 0.00 C ATOM 812 C THR A 457 11.346 -2.080 -0.696 1.00 0.00 C ATOM 813 O THR A 457 12.490 -2.276 -1.104 1.00 0.00 O ATOM 814 CB THR A 457 11.343 0.323 -0.009 1.00 0.00 C ATOM 815 OG1 THR A 457 12.070 1.040 0.997 1.00 0.00 O ATOM 816 CG2 THR A 457 10.034 1.042 -0.304 1.00 0.00 C ATOM 0 H THR A 457 12.872 -1.597 1.439 1.00 0.00 H new ATOM 0 HA THR A 457 10.036 -1.214 0.762 1.00 0.00 H new ATOM 0 HB THR A 457 11.933 0.283 -0.924 1.00 0.00 H new ATOM 0 HG1 THR A 457 12.235 1.956 0.691 1.00 0.00 H new ATOM 0 HG21 THR A 457 10.244 2.060 -0.633 1.00 0.00 H new ATOM 0 HG22 THR A 457 9.496 0.510 -1.089 1.00 0.00 H new ATOM 0 HG23 THR A 457 9.424 1.071 0.599 1.00 0.00 H new ATOM 824 N THR A 458 10.276 -2.667 -1.222 1.00 0.00 N ATOM 825 CA THR A 458 10.381 -3.601 -2.336 1.00 0.00 C ATOM 826 C THR A 458 9.506 -3.153 -3.501 1.00 0.00 C ATOM 827 O THR A 458 8.316 -2.895 -3.330 1.00 0.00 O ATOM 828 CB THR A 458 9.967 -5.024 -1.918 1.00 0.00 C ATOM 829 OG1 THR A 458 10.568 -5.363 -0.663 1.00 0.00 O ATOM 830 CG2 THR A 458 10.379 -6.040 -2.973 1.00 0.00 C ATOM 0 H THR A 458 9.323 -2.511 -0.893 1.00 0.00 H new ATOM 0 HA THR A 458 11.426 -3.613 -2.646 1.00 0.00 H new ATOM 0 HB THR A 458 8.882 -5.046 -1.818 1.00 0.00 H new ATOM 0 HG1 THR A 458 10.297 -6.269 -0.405 1.00 0.00 H new ATOM 0 HG21 THR A 458 10.076 -7.038 -2.655 1.00 0.00 H new ATOM 0 HG22 THR A 458 9.896 -5.798 -3.920 1.00 0.00 H new ATOM 0 HG23 THR A 458 11.461 -6.013 -3.101 1.00 0.00 H new ATOM 838 N TYR A 459 10.102 -3.058 -4.686 1.00 0.00 N ATOM 839 CA TYR A 459 9.370 -2.636 -5.875 1.00 0.00 C ATOM 840 C TYR A 459 9.073 -3.821 -6.788 1.00 0.00 C ATOM 841 O TYR A 459 9.969 -4.590 -7.136 1.00 0.00 O ATOM 842 CB TYR A 459 10.164 -1.576 -6.638 1.00 0.00 C ATOM 843 CG TYR A 459 10.388 -0.304 -5.850 1.00 0.00 C ATOM 844 CD1 TYR A 459 9.448 0.719 -5.864 1.00 0.00 C ATOM 845 CD2 TYR A 459 11.539 -0.127 -5.093 1.00 0.00 C ATOM 846 CE1 TYR A 459 9.648 1.882 -5.145 1.00 0.00 C ATOM 847 CE2 TYR A 459 11.745 1.031 -4.370 1.00 0.00 C ATOM 848 CZ TYR A 459 10.797 2.033 -4.399 1.00 0.00 C ATOM 849 OH TYR A 459 11.000 3.189 -3.680 1.00 0.00 O ATOM 0 H TYR A 459 11.087 -3.267 -4.848 1.00 0.00 H new ATOM 0 HA TYR A 459 8.421 -2.208 -5.551 1.00 0.00 H new ATOM 0 HB2 TYR A 459 11.130 -1.992 -6.922 1.00 0.00 H new ATOM 0 HB3 TYR A 459 9.637 -1.334 -7.561 1.00 0.00 H new ATOM 0 HD1 TYR A 459 8.546 0.603 -6.447 1.00 0.00 H new ATOM 0 HD2 TYR A 459 12.285 -0.908 -5.070 1.00 0.00 H new ATOM 0 HE1 TYR A 459 8.908 2.668 -5.168 1.00 0.00 H new ATOM 0 HE2 TYR A 459 12.644 1.152 -3.784 1.00 0.00 H new ATOM 0 HH TYR A 459 11.857 3.135 -3.209 1.00 0.00 H new ATOM 859 N GLU A 460 7.808 -3.963 -7.171 1.00 0.00 N ATOM 860 CA GLU A 460 7.389 -5.055 -8.044 1.00 0.00 C ATOM 861 C GLU A 460 6.869 -4.521 -9.374 1.00 0.00 C ATOM 862 O GLU A 460 5.752 -4.010 -9.455 1.00 0.00 O ATOM 863 CB GLU A 460 6.307 -5.891 -7.360 1.00 0.00 C ATOM 864 CG GLU A 460 6.684 -6.346 -5.960 1.00 0.00 C ATOM 865 CD GLU A 460 5.913 -5.608 -4.881 1.00 0.00 C ATOM 866 OE1 GLU A 460 4.717 -5.324 -5.097 1.00 0.00 O ATOM 867 OE2 GLU A 460 6.508 -5.314 -3.823 1.00 0.00 O ATOM 0 H GLU A 460 7.055 -3.335 -6.891 1.00 0.00 H new ATOM 0 HA GLU A 460 8.257 -5.684 -8.241 1.00 0.00 H new ATOM 0 HB2 GLU A 460 5.388 -5.308 -7.308 1.00 0.00 H new ATOM 0 HB3 GLU A 460 6.095 -6.767 -7.973 1.00 0.00 H new ATOM 0 HG2 GLU A 460 6.498 -7.416 -5.867 1.00 0.00 H new ATOM 0 HG3 GLU A 460 7.752 -6.193 -5.807 1.00 0.00 H new ATOM 874 N GLY A 461 7.686 -4.645 -10.416 1.00 0.00 N ATOM 875 CA GLY A 461 7.290 -4.172 -11.729 1.00 0.00 C ATOM 876 C GLY A 461 8.317 -3.244 -12.347 1.00 0.00 C ATOM 877 O GLY A 461 9.495 -3.280 -11.988 1.00 0.00 O ATOM 0 H GLY A 461 8.615 -5.065 -10.374 1.00 0.00 H new ATOM 0 HA2 GLY A 461 7.135 -5.027 -12.388 1.00 0.00 H new ATOM 0 HA3 GLY A 461 6.335 -3.652 -11.651 1.00 0.00 H new ATOM 881 N LYS A 462 7.872 -2.410 -13.280 1.00 0.00 N ATOM 882 CA LYS A 462 8.757 -1.466 -13.951 1.00 0.00 C ATOM 883 C LYS A 462 7.994 -0.219 -14.384 1.00 0.00 C ATOM 884 O LYS A 462 6.884 -0.310 -14.908 1.00 0.00 O ATOM 885 CB LYS A 462 9.411 -2.124 -15.168 1.00 0.00 C ATOM 886 CG LYS A 462 10.565 -1.319 -15.751 1.00 0.00 C ATOM 887 CD LYS A 462 10.240 -0.803 -17.144 1.00 0.00 C ATOM 888 CE LYS A 462 11.358 0.070 -17.689 1.00 0.00 C ATOM 889 NZ LYS A 462 10.831 1.250 -18.430 1.00 0.00 N ATOM 0 H LYS A 462 6.901 -2.369 -13.589 1.00 0.00 H new ATOM 0 HA LYS A 462 9.533 -1.170 -13.245 1.00 0.00 H new ATOM 0 HB2 LYS A 462 9.775 -3.112 -14.885 1.00 0.00 H new ATOM 0 HB3 LYS A 462 8.656 -2.272 -15.940 1.00 0.00 H new ATOM 0 HG2 LYS A 462 10.791 -0.479 -15.095 1.00 0.00 H new ATOM 0 HG3 LYS A 462 11.459 -1.941 -15.792 1.00 0.00 H new ATOM 0 HD2 LYS A 462 10.074 -1.645 -17.816 1.00 0.00 H new ATOM 0 HD3 LYS A 462 9.312 -0.232 -17.114 1.00 0.00 H new ATOM 0 HE2 LYS A 462 11.987 0.409 -16.866 1.00 0.00 H new ATOM 0 HE3 LYS A 462 11.990 -0.521 -18.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 462 11.594 1.675 -18.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 462 10.061 0.948 -19.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 462 10.469 1.952 -17.753 1.00 0.00 H new ATOM 903 N HIS A 463 8.596 0.944 -14.164 1.00 0.00 N ATOM 904 CA HIS A 463 7.973 2.208 -14.535 1.00 0.00 C ATOM 905 C HIS A 463 8.245 2.538 -15.999 1.00 0.00 C ATOM 906 O HIS A 463 9.396 2.691 -16.407 1.00 0.00 O ATOM 907 CB HIS A 463 8.487 3.340 -13.646 1.00 0.00 C ATOM 908 CG HIS A 463 8.228 3.119 -12.188 1.00 0.00 C ATOM 909 ND1 HIS A 463 9.053 2.708 -11.196 1.00 0.00 N flip ATOM 910 CD2 HIS A 463 6.998 3.325 -11.601 1.00 0.00 C flip ATOM 911 CE1 HIS A 463 8.314 2.674 -10.039 1.00 0.00 C flip ATOM 912 NE2 HIS A 463 7.078 3.051 -10.310 1.00 0.00 N flip ATOM 0 H HIS A 463 9.515 1.037 -13.731 1.00 0.00 H new ATOM 0 HA HIS A 463 6.897 2.106 -14.394 1.00 0.00 H new ATOM 0 HB2 HIS A 463 9.559 3.456 -13.803 1.00 0.00 H new ATOM 0 HB3 HIS A 463 8.017 4.274 -13.953 1.00 0.00 H new ATOM 0 HD2 HIS A 463 6.108 3.658 -12.115 1.00 0.00 H new ATOM 0 HE1 HIS A 463 8.684 2.386 -9.066 1.00 0.00 H new ATOM 0 HE2 HIS A 463 6.314 3.119 -9.637 1.00 0.00 H new ATOM 920 N ASN A 464 7.178 2.649 -16.782 1.00 0.00 N ATOM 921 CA ASN A 464 7.301 2.963 -18.199 1.00 0.00 C ATOM 922 C ASN A 464 6.889 4.406 -18.474 1.00 0.00 C ATOM 923 O ASN A 464 6.124 4.680 -19.399 1.00 0.00 O ATOM 924 CB ASN A 464 6.447 2.006 -19.032 1.00 0.00 C ATOM 925 CG ASN A 464 7.220 0.781 -19.477 1.00 0.00 C ATOM 926 OD1 ASN A 464 8.451 0.796 -19.533 1.00 0.00 O ATOM 927 ND2 ASN A 464 6.501 -0.288 -19.799 1.00 0.00 N ATOM 0 H ASN A 464 6.218 2.526 -16.459 1.00 0.00 H new ATOM 0 HA ASN A 464 8.347 2.843 -18.483 1.00 0.00 H new ATOM 0 HB2 ASN A 464 5.581 1.694 -18.448 1.00 0.00 H new ATOM 0 HB3 ASN A 464 6.068 2.531 -19.909 1.00 0.00 H new ATOM 0 HD21 ASN A 464 6.966 -1.142 -20.108 1.00 0.00 H new ATOM 0 HD22 ASN A 464 5.483 -0.256 -19.738 1.00 0.00 H new ATOM 934 N HIS A 465 7.399 5.328 -17.663 1.00 0.00 N ATOM 935 CA HIS A 465 7.082 6.743 -17.820 1.00 0.00 C ATOM 936 C HIS A 465 8.194 7.615 -17.247 1.00 0.00 C ATOM 937 O HIS A 465 8.881 7.221 -16.306 1.00 0.00 O ATOM 938 CB HIS A 465 5.760 7.074 -17.126 1.00 0.00 C ATOM 939 CG HIS A 465 5.782 6.828 -15.648 1.00 0.00 C ATOM 940 ND1 HIS A 465 5.313 5.788 -14.919 1.00 0.00 N flip ATOM 941 CD2 HIS A 465 6.332 7.710 -14.743 1.00 0.00 C flip ATOM 942 CE1 HIS A 465 5.588 6.056 -13.601 1.00 0.00 C flip ATOM 943 NE2 HIS A 465 6.204 7.220 -13.520 1.00 0.00 N flip ATOM 0 H HIS A 465 8.033 5.121 -16.891 1.00 0.00 H new ATOM 0 HA HIS A 465 6.989 6.950 -18.886 1.00 0.00 H new ATOM 0 HB2 HIS A 465 5.515 8.120 -17.308 1.00 0.00 H new ATOM 0 HB3 HIS A 465 4.965 6.478 -17.574 1.00 0.00 H new ATOM 0 HD2 HIS A 465 6.795 8.653 -14.993 1.00 0.00 H new ATOM 0 HE1 HIS A 465 5.340 5.418 -12.766 1.00 0.00 H new ATOM 0 HE2 HIS A 465 6.527 7.666 -12.661 1.00 0.00 H new