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+ 178:sc= 1.64 (180deg=1.09) USER MOD Set 1.2: A 459 TYR OH : rot 180:sc= 0.0704 USER MOD Set 2.1: A 434 CYS SG : rot -110:sc= -1.06 USER MOD Set 2.2: A 436 THR OG1 : rot -54:sc= 1.06! USER MOD Set 2.3: A 439 CYS SG : rot -80:sc= -1.14 USER MOD Set 2.4: A 463 HIS : no HD1:sc= -0.971 K(o=-8.3,f=-6.8) USER MOD Set 2.5: A 465 HIS : no HD1:sc= -6.16! K(o=-8.3!,f=-6.8) 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 K(o=0,f=-0.89) 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= -0.747 K(o=-0.75,f=-7) USER MOD Single : A 427 TYR OH : rot 90:sc= -1.17 USER MOD Single : A 430 SER OG : rot 170:sc= -0.42 USER MOD Single : A 431 TYR OH : rot 180:sc= 0 USER MOD Single : A 432 TYR OH : rot 30:sc= -0.565 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 : no HE2:sc= 0.145 K(o=0.15,f=-1.9) USER MOD Single : A 450 THR OG1 : rot 180:sc= 0 USER MOD Single : A 453 LYS NZ :NH3+ -103:sc= -1.24 (180deg=-3.05!) 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+ -151:sc= 1.2 (180deg=0.3) USER MOD Single : A 464 ASN : amide:sc= -1.56 K(o=-1.6,f=-6.4!) USER MOD ----------------------------------------------------------------- ATOM 70 N TYR A 412 6.955 8.388 -9.374 1.00 0.00 N ATOM 71 CA TYR A 412 5.726 7.713 -9.765 1.00 0.00 C ATOM 72 C TYR A 412 4.663 7.894 -8.694 1.00 0.00 C ATOM 73 O TYR A 412 4.981 8.026 -7.511 1.00 0.00 O ATOM 74 CB TYR A 412 5.987 6.223 -9.993 1.00 0.00 C ATOM 75 CG TYR A 412 7.016 5.946 -11.064 1.00 0.00 C ATOM 76 CD1 TYR A 412 7.038 6.687 -12.237 1.00 0.00 C ATOM 77 CD2 TYR A 412 7.964 4.944 -10.901 1.00 0.00 C ATOM 78 CE1 TYR A 412 7.975 6.439 -13.219 1.00 0.00 C ATOM 79 CE2 TYR A 412 8.906 4.690 -11.880 1.00 0.00 C ATOM 80 CZ TYR A 412 8.907 5.440 -13.037 1.00 0.00 C ATOM 81 OH TYR A 412 9.843 5.190 -14.013 1.00 0.00 O ATOM 0 HA TYR A 412 5.370 8.155 -10.696 1.00 0.00 H new ATOM 0 HB2 TYR A 412 6.319 5.773 -9.057 1.00 0.00 H new ATOM 0 HB3 TYR A 412 5.051 5.736 -10.266 1.00 0.00 H new ATOM 0 HD1 TYR A 412 6.310 7.471 -12.384 1.00 0.00 H new ATOM 0 HD2 TYR A 412 7.965 4.355 -9.996 1.00 0.00 H new ATOM 0 HE1 TYR A 412 7.978 7.025 -14.126 1.00 0.00 H new ATOM 0 HE2 TYR A 412 9.638 3.908 -11.739 1.00 0.00 H new ATOM 0 HH TYR A 412 10.426 4.456 -13.727 1.00 0.00 H new ATOM 91 N ARG A 413 3.402 7.901 -9.103 1.00 0.00 N ATOM 92 CA ARG A 413 2.305 8.067 -8.157 1.00 0.00 C ATOM 93 C ARG A 413 2.011 6.749 -7.450 1.00 0.00 C ATOM 94 O ARG A 413 1.856 5.712 -8.091 1.00 0.00 O ATOM 95 CB ARG A 413 1.051 8.579 -8.869 1.00 0.00 C ATOM 96 CG ARG A 413 -0.118 8.844 -7.933 1.00 0.00 C ATOM 97 CD ARG A 413 0.255 9.832 -6.836 1.00 0.00 C ATOM 98 NE ARG A 413 0.217 11.215 -7.306 1.00 0.00 N ATOM 99 CZ ARG A 413 1.031 12.175 -6.869 1.00 0.00 C ATOM 100 NH1 ARG A 413 1.951 11.913 -5.948 1.00 0.00 N ATOM 101 NH2 ARG A 413 0.923 13.405 -7.353 1.00 0.00 N ATOM 0 H ARG A 413 3.113 7.795 -10.076 1.00 0.00 H new ATOM 0 HA ARG A 413 2.603 8.805 -7.412 1.00 0.00 H new ATOM 0 HB2 ARG A 413 1.296 9.499 -9.400 1.00 0.00 H new ATOM 0 HB3 ARG A 413 0.746 7.849 -9.619 1.00 0.00 H new ATOM 0 HG2 ARG A 413 -0.961 9.234 -8.504 1.00 0.00 H new ATOM 0 HG3 ARG A 413 -0.445 7.906 -7.483 1.00 0.00 H new ATOM 0 HD2 ARG A 413 -0.430 9.716 -5.996 1.00 0.00 H new ATOM 0 HD3 ARG A 413 1.254 9.602 -6.466 1.00 0.00 H new ATOM 0 HE ARG A 413 -0.476 11.461 -8.013 1.00 0.00 H new ATOM 0 HH11 ARG A 413 2.039 10.970 -5.569 1.00 0.00 H new ATOM 0 HH12 ARG A 413 2.570 12.655 -5.620 1.00 0.00 H new ATOM 0 HH21 ARG A 413 0.217 13.615 -8.059 1.00 0.00 H new ATOM 0 HH22 ARG A 413 1.546 14.141 -7.019 1.00 0.00 H new ATOM 115 N TRP A 414 1.948 6.798 -6.124 1.00 0.00 N ATOM 116 CA TRP A 414 1.688 5.602 -5.330 1.00 0.00 C ATOM 117 C TRP A 414 0.429 5.754 -4.484 1.00 0.00 C ATOM 118 O TRP A 414 0.143 6.831 -3.962 1.00 0.00 O ATOM 119 CB TRP A 414 2.891 5.297 -4.440 1.00 0.00 C ATOM 120 CG TRP A 414 4.169 5.181 -5.209 1.00 0.00 C ATOM 121 CD1 TRP A 414 5.035 6.189 -5.519 1.00 0.00 C ATOM 122 CD2 TRP A 414 4.717 3.988 -5.779 1.00 0.00 C ATOM 123 NE1 TRP A 414 6.095 5.695 -6.244 1.00 0.00 N ATOM 124 CE2 TRP A 414 5.923 4.343 -6.415 1.00 0.00 C ATOM 125 CE3 TRP A 414 4.307 2.652 -5.809 1.00 0.00 C ATOM 126 CZ2 TRP A 414 6.717 3.407 -7.075 1.00 0.00 C ATOM 127 CZ3 TRP A 414 5.097 1.726 -6.463 1.00 0.00 C ATOM 128 CH2 TRP A 414 6.290 2.108 -7.087 1.00 0.00 C ATOM 0 H TRP A 414 2.073 7.650 -5.577 1.00 0.00 H new ATOM 0 HA TRP A 414 1.526 4.770 -6.016 1.00 0.00 H new ATOM 0 HB2 TRP A 414 2.993 6.084 -3.693 1.00 0.00 H new ATOM 0 HB3 TRP A 414 2.711 4.367 -3.901 1.00 0.00 H new ATOM 0 HD1 TRP A 414 4.907 7.224 -5.237 1.00 0.00 H new ATOM 0 HE1 TRP A 414 6.880 6.243 -6.597 1.00 0.00 H new ATOM 0 HE3 TRP A 414 3.388 2.349 -5.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 414 7.637 3.697 -7.560 1.00 0.00 H new ATOM 0 HZ3 TRP A 414 4.789 0.691 -6.493 1.00 0.00 H new ATOM 0 HH2 TRP A 414 6.886 1.361 -7.589 1.00 0.00 H new ATOM 139 N ARG A 415 -0.324 4.664 -4.364 1.00 0.00 N ATOM 140 CA ARG A 415 -1.561 4.666 -3.592 1.00 0.00 C ATOM 141 C ARG A 415 -1.475 3.711 -2.403 1.00 0.00 C ATOM 142 O ARG A 415 -1.432 2.493 -2.574 1.00 0.00 O ATOM 143 CB ARG A 415 -2.736 4.270 -4.490 1.00 0.00 C ATOM 144 CG ARG A 415 -4.073 4.247 -3.772 1.00 0.00 C ATOM 145 CD ARG A 415 -5.196 3.800 -4.695 1.00 0.00 C ATOM 146 NE ARG A 415 -5.372 2.350 -4.678 1.00 0.00 N ATOM 147 CZ ARG A 415 -6.402 1.722 -5.239 1.00 0.00 C ATOM 148 NH1 ARG A 415 -7.353 2.413 -5.858 1.00 0.00 N ATOM 149 NH2 ARG A 415 -6.484 0.400 -5.182 1.00 0.00 N ATOM 0 H ARG A 415 -0.098 3.767 -4.793 1.00 0.00 H new ATOM 0 HA ARG A 415 -1.717 5.674 -3.208 1.00 0.00 H new ATOM 0 HB2 ARG A 415 -2.794 4.968 -5.325 1.00 0.00 H new ATOM 0 HB3 ARG A 415 -2.543 3.283 -4.912 1.00 0.00 H new ATOM 0 HG2 ARG A 415 -4.015 3.575 -2.916 1.00 0.00 H new ATOM 0 HG3 ARG A 415 -4.295 5.241 -3.383 1.00 0.00 H new ATOM 0 HD2 ARG A 415 -6.126 4.282 -4.394 1.00 0.00 H new ATOM 0 HD3 ARG A 415 -4.982 4.128 -5.712 1.00 0.00 H new ATOM 0 HE ARG A 415 -4.664 1.786 -4.208 1.00 0.00 H new ATOM 0 HH11 ARG A 415 -7.296 3.430 -5.905 1.00 0.00 H new ATOM 0 HH12 ARG A 415 -8.140 1.926 -6.286 1.00 0.00 H new ATOM 0 HH21 ARG A 415 -5.757 -0.136 -4.708 1.00 0.00 H new ATOM 0 HH22 ARG A 415 -7.274 -0.081 -5.612 1.00 0.00 H new ATOM 163 N LYS A 416 -1.459 4.273 -1.196 1.00 0.00 N ATOM 164 CA LYS A 416 -1.387 3.470 0.022 1.00 0.00 C ATOM 165 C LYS A 416 -2.723 2.793 0.299 1.00 0.00 C ATOM 166 O LYS A 416 -3.650 3.420 0.811 1.00 0.00 O ATOM 167 CB LYS A 416 -0.999 4.346 1.216 1.00 0.00 C ATOM 168 CG LYS A 416 -0.718 3.555 2.484 1.00 0.00 C ATOM 169 CD LYS A 416 -0.193 4.447 3.596 1.00 0.00 C ATOM 170 CE LYS A 416 -0.700 3.996 4.958 1.00 0.00 C ATOM 171 NZ LYS A 416 -0.729 5.114 5.941 1.00 0.00 N ATOM 0 H LYS A 416 -1.495 5.280 -1.036 1.00 0.00 H new ATOM 0 HA LYS A 416 -0.626 2.704 -0.123 1.00 0.00 H new ATOM 0 HB2 LYS A 416 -0.115 4.928 0.957 1.00 0.00 H new ATOM 0 HB3 LYS A 416 -1.802 5.057 1.411 1.00 0.00 H new ATOM 0 HG2 LYS A 416 -1.631 3.060 2.815 1.00 0.00 H new ATOM 0 HG3 LYS A 416 0.010 2.772 2.271 1.00 0.00 H new ATOM 0 HD2 LYS A 416 0.897 4.435 3.590 1.00 0.00 H new ATOM 0 HD3 LYS A 416 -0.501 5.477 3.414 1.00 0.00 H new ATOM 0 HE2 LYS A 416 -1.702 3.580 4.852 1.00 0.00 H new ATOM 0 HE3 LYS A 416 -0.062 3.197 5.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 416 -1.080 4.764 6.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 416 0.231 5.495 6.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 416 -1.358 5.866 5.593 1.00 0.00 H new ATOM 185 N TYR A 417 -2.823 1.514 -0.047 1.00 0.00 N ATOM 186 CA TYR A 417 -4.060 0.769 0.165 1.00 0.00 C ATOM 187 C TYR A 417 -3.889 -0.311 1.229 1.00 0.00 C ATOM 188 O TYR A 417 -2.812 -0.893 1.382 1.00 0.00 O ATOM 189 CB TYR A 417 -4.543 0.145 -1.151 1.00 0.00 C ATOM 190 CG TYR A 417 -3.723 -1.040 -1.625 1.00 0.00 C ATOM 191 CD1 TYR A 417 -3.762 -2.256 -0.953 1.00 0.00 C ATOM 192 CD2 TYR A 417 -2.915 -0.942 -2.752 1.00 0.00 C ATOM 193 CE1 TYR A 417 -3.023 -3.339 -1.390 1.00 0.00 C ATOM 194 CE2 TYR A 417 -2.173 -2.022 -3.194 1.00 0.00 C ATOM 195 CZ TYR A 417 -2.232 -3.215 -2.510 1.00 0.00 C ATOM 196 OH TYR A 417 -1.494 -4.291 -2.950 1.00 0.00 O ATOM 0 H TYR A 417 -2.069 0.974 -0.472 1.00 0.00 H new ATOM 0 HA TYR A 417 -4.812 1.473 0.521 1.00 0.00 H new ATOM 0 HB2 TYR A 417 -5.579 -0.172 -1.029 1.00 0.00 H new ATOM 0 HB3 TYR A 417 -4.533 0.911 -1.927 1.00 0.00 H new ATOM 0 HD1 TYR A 417 -4.381 -2.356 -0.074 1.00 0.00 H new ATOM 0 HD2 TYR A 417 -2.866 -0.007 -3.291 1.00 0.00 H new ATOM 0 HE1 TYR A 417 -3.066 -4.277 -0.856 1.00 0.00 H new ATOM 0 HE2 TYR A 417 -1.550 -1.930 -4.072 1.00 0.00 H new ATOM 0 HH TYR A 417 -0.992 -4.037 -3.752 1.00 0.00 H new ATOM 206 N GLY A 418 -4.970 -0.574 1.957 1.00 0.00 N ATOM 207 CA GLY A 418 -4.950 -1.586 2.995 1.00 0.00 C ATOM 208 C GLY A 418 -4.141 -1.175 4.208 1.00 0.00 C ATOM 209 O GLY A 418 -3.603 -0.067 4.262 1.00 0.00 O ATOM 0 H GLY A 418 -5.866 -0.099 1.844 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -5.973 -1.802 3.304 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -4.539 -2.509 2.587 1.00 0.00 H new ATOM 213 N GLN A 419 -4.054 -2.075 5.183 1.00 0.00 N ATOM 214 CA GLN A 419 -3.308 -1.818 6.407 1.00 0.00 C ATOM 215 C GLN A 419 -3.376 -3.027 7.334 1.00 0.00 C ATOM 216 O GLN A 419 -4.451 -3.577 7.573 1.00 0.00 O ATOM 217 CB GLN A 419 -3.856 -0.580 7.121 1.00 0.00 C ATOM 218 CG GLN A 419 -2.795 0.196 7.885 1.00 0.00 C ATOM 219 CD GLN A 419 -2.762 -0.156 9.358 1.00 0.00 C ATOM 220 OE1 GLN A 419 -2.120 -1.125 9.763 1.00 0.00 O ATOM 221 NE2 GLN A 419 -3.456 0.632 10.170 1.00 0.00 N ATOM 0 H GLN A 419 -4.495 -2.994 5.147 1.00 0.00 H new ATOM 0 HA GLN A 419 -2.267 -1.635 6.141 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -4.319 0.079 6.386 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -4.640 -0.886 7.813 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -1.818 -0.004 7.446 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -2.982 1.264 7.775 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -3.974 1.425 9.791 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -3.471 0.445 11.173 1.00 0.00 H new ATOM 230 N LYS A 420 -2.223 -3.442 7.847 1.00 0.00 N ATOM 231 CA LYS A 420 -2.160 -4.594 8.739 1.00 0.00 C ATOM 232 C LYS A 420 -0.866 -4.601 9.546 1.00 0.00 C ATOM 233 O LYS A 420 0.144 -4.039 9.124 1.00 0.00 O ATOM 234 CB LYS A 420 -2.277 -5.890 7.931 1.00 0.00 C ATOM 235 CG LYS A 420 -3.497 -6.724 8.287 1.00 0.00 C ATOM 236 CD LYS A 420 -3.131 -8.184 8.518 1.00 0.00 C ATOM 237 CE LYS A 420 -4.005 -9.116 7.694 1.00 0.00 C ATOM 238 NZ LYS A 420 -3.266 -10.338 7.268 1.00 0.00 N ATOM 0 H LYS A 420 -1.323 -3.000 7.662 1.00 0.00 H new ATOM 0 HA LYS A 420 -2.994 -4.524 9.437 1.00 0.00 H new ATOM 0 HB2 LYS A 420 -2.313 -5.644 6.870 1.00 0.00 H new ATOM 0 HB3 LYS A 420 -1.380 -6.489 8.089 1.00 0.00 H new ATOM 0 HG2 LYS A 420 -3.965 -6.320 9.184 1.00 0.00 H new ATOM 0 HG3 LYS A 420 -4.232 -6.655 7.485 1.00 0.00 H new ATOM 0 HD2 LYS A 420 -2.084 -8.343 8.260 1.00 0.00 H new ATOM 0 HD3 LYS A 420 -3.238 -8.424 9.576 1.00 0.00 H new ATOM 0 HE2 LYS A 420 -4.879 -9.405 8.278 1.00 0.00 H new ATOM 0 HE3 LYS A 420 -4.371 -8.587 6.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 -3.896 -10.948 6.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 -2.446 -10.064 6.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 -2.939 -10.856 8.108 1.00 0.00 H new ATOM 252 N VAL A 421 -0.907 -5.249 10.706 1.00 0.00 N ATOM 253 CA VAL A 421 0.260 -5.342 11.575 1.00 0.00 C ATOM 254 C VAL A 421 0.853 -6.745 11.537 1.00 0.00 C ATOM 255 O VAL A 421 0.126 -7.734 11.464 1.00 0.00 O ATOM 256 CB VAL A 421 -0.090 -4.976 13.030 1.00 0.00 C ATOM 257 CG1 VAL A 421 -1.140 -5.927 13.584 1.00 0.00 C ATOM 258 CG2 VAL A 421 1.159 -4.983 13.901 1.00 0.00 C ATOM 0 H VAL A 421 -1.738 -5.718 11.066 1.00 0.00 H new ATOM 0 HA VAL A 421 0.995 -4.629 11.203 1.00 0.00 H new ATOM 0 HB VAL A 421 -0.505 -3.968 13.040 1.00 0.00 H new ATOM 0 HG11 VAL A 421 -1.374 -5.652 14.613 1.00 0.00 H new ATOM 0 HG12 VAL A 421 -2.044 -5.865 12.978 1.00 0.00 H new ATOM 0 HG13 VAL A 421 -0.756 -6.947 13.559 1.00 0.00 H new ATOM 0 HG21 VAL A 421 0.890 -4.722 14.925 1.00 0.00 H new ATOM 0 HG22 VAL A 421 1.608 -5.976 13.886 1.00 0.00 H new ATOM 0 HG23 VAL A 421 1.874 -4.256 13.517 1.00 0.00 H new ATOM 268 N VAL A 422 2.179 -6.824 11.583 1.00 0.00 N ATOM 269 CA VAL A 422 2.864 -8.109 11.548 1.00 0.00 C ATOM 270 C VAL A 422 3.763 -8.294 12.764 1.00 0.00 C ATOM 271 O VAL A 422 4.431 -7.347 13.209 1.00 0.00 O ATOM 272 CB VAL A 422 3.714 -8.258 10.273 1.00 0.00 C ATOM 273 CG1 VAL A 422 2.821 -8.370 9.046 1.00 0.00 C ATOM 274 CG2 VAL A 422 4.677 -7.089 10.134 1.00 0.00 C ATOM 0 H VAL A 422 2.798 -6.016 11.644 1.00 0.00 H new ATOM 0 HA VAL A 422 2.089 -8.875 11.555 1.00 0.00 H new ATOM 0 HB VAL A 422 4.299 -9.174 10.354 1.00 0.00 H new ATOM 0 HG11 VAL A 422 3.439 -8.475 8.154 1.00 0.00 H new ATOM 0 HG12 VAL A 422 2.175 -9.243 9.144 1.00 0.00 H new ATOM 0 HG13 VAL A 422 2.208 -7.473 8.959 1.00 0.00 H new ATOM 0 HG21 VAL A 422 5.269 -7.211 9.227 1.00 0.00 H new ATOM 0 HG22 VAL A 422 4.113 -6.158 10.076 1.00 0.00 H new ATOM 0 HG23 VAL A 422 5.340 -7.059 10.999 1.00 0.00 H new ATOM 284 N LYS A 423 3.777 -9.521 13.293 1.00 0.00 N ATOM 285 CA LYS A 423 4.589 -9.861 14.455 1.00 0.00 C ATOM 286 C LYS A 423 6.051 -10.022 14.053 1.00 0.00 C ATOM 287 O LYS A 423 6.407 -9.815 12.894 1.00 0.00 O ATOM 288 CB LYS A 423 4.077 -11.150 15.102 1.00 0.00 C ATOM 289 CG LYS A 423 2.559 -11.232 15.173 1.00 0.00 C ATOM 290 CD LYS A 423 1.990 -12.067 14.036 1.00 0.00 C ATOM 291 CE LYS A 423 0.725 -11.446 13.465 1.00 0.00 C ATOM 292 NZ LYS A 423 0.096 -12.316 12.433 1.00 0.00 N ATOM 0 H LYS A 423 3.228 -10.299 12.927 1.00 0.00 H new ATOM 0 HA LYS A 423 4.513 -9.050 15.179 1.00 0.00 H new ATOM 0 HB2 LYS A 423 4.453 -12.004 14.539 1.00 0.00 H new ATOM 0 HB3 LYS A 423 4.485 -11.228 16.110 1.00 0.00 H new ATOM 0 HG2 LYS A 423 2.262 -11.666 16.128 1.00 0.00 H new ATOM 0 HG3 LYS A 423 2.137 -10.228 15.134 1.00 0.00 H new ATOM 0 HD2 LYS A 423 2.736 -12.165 13.247 1.00 0.00 H new ATOM 0 HD3 LYS A 423 1.772 -13.073 14.396 1.00 0.00 H new ATOM 0 HE2 LYS A 423 0.013 -11.266 14.271 1.00 0.00 H new ATOM 0 HE3 LYS A 423 0.962 -10.477 13.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -0.763 -11.857 12.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 0.765 -12.467 11.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -0.154 -13.232 12.857 1.00 0.00 H new ATOM 306 N GLY A 424 6.902 -10.367 15.018 1.00 0.00 N ATOM 307 CA GLY A 424 8.323 -10.515 14.730 1.00 0.00 C ATOM 308 C GLY A 424 8.979 -9.175 14.436 1.00 0.00 C ATOM 309 O GLY A 424 10.203 -9.044 14.474 1.00 0.00 O ATOM 0 H GLY A 424 6.638 -10.546 15.987 1.00 0.00 H new ATOM 0 HA2 GLY A 424 8.820 -10.985 15.579 1.00 0.00 H new ATOM 0 HA3 GLY A 424 8.454 -11.180 13.876 1.00 0.00 H new ATOM 313 N ASN A 425 8.143 -8.182 14.153 1.00 0.00 N ATOM 314 CA ASN A 425 8.578 -6.832 13.857 1.00 0.00 C ATOM 315 C ASN A 425 7.393 -5.897 14.076 1.00 0.00 C ATOM 316 O ASN A 425 6.922 -5.252 13.142 1.00 0.00 O ATOM 317 CB ASN A 425 9.085 -6.735 12.414 1.00 0.00 C ATOM 318 CG ASN A 425 9.405 -5.312 12.000 1.00 0.00 C ATOM 319 OD1 ASN A 425 9.924 -4.523 12.790 1.00 0.00 O ATOM 320 ND2 ASN A 425 9.095 -4.975 10.753 1.00 0.00 N ATOM 0 H ASN A 425 7.130 -8.299 14.124 1.00 0.00 H new ATOM 0 HA ASN A 425 9.402 -6.550 14.512 1.00 0.00 H new ATOM 0 HB2 ASN A 425 9.978 -7.350 12.305 1.00 0.00 H new ATOM 0 HB3 ASN A 425 8.332 -7.144 11.740 1.00 0.00 H new ATOM 0 HD21 ASN A 425 9.286 -4.031 10.417 1.00 0.00 H new ATOM 0 HD22 ASN A 425 8.666 -5.660 10.131 1.00 0.00 H new ATOM 327 N PRO A 426 6.888 -5.849 15.328 1.00 0.00 N ATOM 328 CA PRO A 426 5.740 -5.034 15.735 1.00 0.00 C ATOM 329 C PRO A 426 5.561 -3.757 14.928 1.00 0.00 C ATOM 330 O PRO A 426 5.818 -2.660 15.425 1.00 0.00 O ATOM 331 CB PRO A 426 6.101 -4.708 17.174 1.00 0.00 C ATOM 332 CG PRO A 426 6.781 -5.939 17.678 1.00 0.00 C ATOM 333 CD PRO A 426 7.405 -6.618 16.478 1.00 0.00 C ATOM 0 HA PRO A 426 4.794 -5.556 15.589 1.00 0.00 H new ATOM 0 HB2 PRO A 426 6.758 -3.840 17.231 1.00 0.00 H new ATOM 0 HB3 PRO A 426 5.214 -4.476 17.763 1.00 0.00 H new ATOM 0 HG2 PRO A 426 7.541 -5.685 18.417 1.00 0.00 H new ATOM 0 HG3 PRO A 426 6.068 -6.601 18.169 1.00 0.00 H new ATOM 0 HD2 PRO A 426 8.494 -6.587 16.523 1.00 0.00 H new ATOM 0 HD3 PRO A 426 7.118 -7.668 16.419 1.00 0.00 H new ATOM 341 N TYR A 427 5.120 -3.899 13.685 1.00 0.00 N ATOM 342 CA TYR A 427 4.926 -2.731 12.831 1.00 0.00 C ATOM 343 C TYR A 427 3.851 -2.967 11.771 1.00 0.00 C ATOM 344 O TYR A 427 3.727 -4.067 11.231 1.00 0.00 O ATOM 345 CB TYR A 427 6.248 -2.346 12.159 1.00 0.00 C ATOM 346 CG TYR A 427 7.246 -1.688 13.093 1.00 0.00 C ATOM 347 CD1 TYR A 427 7.984 -2.439 14.002 1.00 0.00 C ATOM 348 CD2 TYR A 427 7.456 -0.315 13.059 1.00 0.00 C ATOM 349 CE1 TYR A 427 8.898 -1.840 14.847 1.00 0.00 C ATOM 350 CE2 TYR A 427 8.369 0.289 13.902 1.00 0.00 C ATOM 351 CZ TYR A 427 9.087 -0.479 14.794 1.00 0.00 C ATOM 352 OH TYR A 427 9.997 0.117 15.633 1.00 0.00 O ATOM 0 H TYR A 427 4.893 -4.793 13.250 1.00 0.00 H new ATOM 0 HA TYR A 427 4.586 -1.914 13.467 1.00 0.00 H new ATOM 0 HB2 TYR A 427 6.701 -3.241 11.732 1.00 0.00 H new ATOM 0 HB3 TYR A 427 6.039 -1.668 11.331 1.00 0.00 H new ATOM 0 HD1 TYR A 427 7.840 -3.508 14.048 1.00 0.00 H new ATOM 0 HD2 TYR A 427 6.896 0.290 12.362 1.00 0.00 H new ATOM 0 HE1 TYR A 427 9.462 -2.439 15.547 1.00 0.00 H new ATOM 0 HE2 TYR A 427 8.520 1.358 13.862 1.00 0.00 H new ATOM 0 HH TYR A 427 10.875 0.141 15.199 1.00 0.00 H new ATOM 362 N PRO A 428 3.060 -1.923 11.457 1.00 0.00 N ATOM 363 CA PRO A 428 1.998 -2.004 10.457 1.00 0.00 C ATOM 364 C PRO A 428 2.529 -1.822 9.039 1.00 0.00 C ATOM 365 O PRO A 428 3.248 -0.864 8.754 1.00 0.00 O ATOM 366 CB PRO A 428 1.088 -0.841 10.840 1.00 0.00 C ATOM 367 CG PRO A 428 2.014 0.183 11.401 1.00 0.00 C ATOM 368 CD PRO A 428 3.146 -0.574 12.053 1.00 0.00 C ATOM 0 HA PRO A 428 1.502 -2.975 10.451 1.00 0.00 H new ATOM 0 HB2 PRO A 428 0.548 -0.457 9.975 1.00 0.00 H new ATOM 0 HB3 PRO A 428 0.341 -1.145 11.573 1.00 0.00 H new ATOM 0 HG2 PRO A 428 2.388 0.840 10.615 1.00 0.00 H new ATOM 0 HG3 PRO A 428 1.501 0.814 12.126 1.00 0.00 H new ATOM 0 HD2 PRO A 428 4.109 -0.107 11.848 1.00 0.00 H new ATOM 0 HD3 PRO A 428 3.032 -0.608 13.137 1.00 0.00 H new ATOM 376 N ARG A 429 2.178 -2.749 8.155 1.00 0.00 N ATOM 377 CA ARG A 429 2.628 -2.691 6.770 1.00 0.00 C ATOM 378 C ARG A 429 1.654 -1.898 5.901 1.00 0.00 C ATOM 379 O ARG A 429 0.458 -1.833 6.187 1.00 0.00 O ATOM 380 CB ARG A 429 2.794 -4.105 6.207 1.00 0.00 C ATOM 381 CG ARG A 429 4.243 -4.561 6.120 1.00 0.00 C ATOM 382 CD ARG A 429 4.536 -5.254 4.797 1.00 0.00 C ATOM 383 NE ARG A 429 4.740 -6.692 4.962 1.00 0.00 N ATOM 384 CZ ARG A 429 3.750 -7.573 5.071 1.00 0.00 C ATOM 385 NH1 ARG A 429 2.485 -7.170 5.047 1.00 0.00 N ATOM 386 NH2 ARG A 429 4.025 -8.864 5.208 1.00 0.00 N ATOM 0 H ARG A 429 1.584 -3.549 8.373 1.00 0.00 H new ATOM 0 HA ARG A 429 3.591 -2.181 6.754 1.00 0.00 H new ATOM 0 HB2 ARG A 429 2.239 -4.804 6.833 1.00 0.00 H new ATOM 0 HB3 ARG A 429 2.349 -4.146 5.213 1.00 0.00 H new ATOM 0 HG2 ARG A 429 4.903 -3.701 6.234 1.00 0.00 H new ATOM 0 HG3 ARG A 429 4.461 -5.241 6.943 1.00 0.00 H new ATOM 0 HD2 ARG A 429 3.709 -5.082 4.108 1.00 0.00 H new ATOM 0 HD3 ARG A 429 5.424 -4.812 4.346 1.00 0.00 H new ATOM 0 HE ARG A 429 5.698 -7.040 4.995 1.00 0.00 H new ATOM 0 HH11 ARG A 429 2.267 -6.179 4.944 1.00 0.00 H new ATOM 0 HH12 ARG A 429 1.731 -7.852 5.131 1.00 0.00 H new ATOM 0 HH21 ARG A 429 4.995 -9.179 5.230 1.00 0.00 H new ATOM 0 HH22 ARG A 429 3.267 -9.541 5.292 1.00 0.00 H new ATOM 400 N SER A 430 2.179 -1.308 4.834 1.00 0.00 N ATOM 401 CA SER A 430 1.371 -0.527 3.906 1.00 0.00 C ATOM 402 C SER A 430 1.578 -1.032 2.483 1.00 0.00 C ATOM 403 O SER A 430 2.691 -1.400 2.107 1.00 0.00 O ATOM 404 CB SER A 430 1.734 0.956 3.996 1.00 0.00 C ATOM 405 OG SER A 430 1.526 1.454 5.307 1.00 0.00 O ATOM 0 H SER A 430 3.168 -1.357 4.589 1.00 0.00 H new ATOM 0 HA SER A 430 0.321 -0.643 4.175 1.00 0.00 H new ATOM 0 HB2 SER A 430 2.777 1.096 3.712 1.00 0.00 H new ATOM 0 HB3 SER A 430 1.131 1.525 3.288 1.00 0.00 H new ATOM 0 HG SER A 430 1.913 2.351 5.381 1.00 0.00 H new ATOM 411 N TYR A 431 0.507 -1.066 1.696 1.00 0.00 N ATOM 412 CA TYR A 431 0.601 -1.547 0.323 1.00 0.00 C ATOM 413 C TYR A 431 0.580 -0.396 -0.680 1.00 0.00 C ATOM 414 O TYR A 431 -0.455 -0.098 -1.278 1.00 0.00 O ATOM 415 CB TYR A 431 -0.535 -2.524 0.029 1.00 0.00 C ATOM 416 CG TYR A 431 -0.678 -3.616 1.067 1.00 0.00 C ATOM 417 CD1 TYR A 431 -1.240 -3.352 2.310 1.00 0.00 C ATOM 418 CD2 TYR A 431 -0.250 -4.912 0.803 1.00 0.00 C ATOM 419 CE1 TYR A 431 -1.370 -4.348 3.262 1.00 0.00 C ATOM 420 CE2 TYR A 431 -0.377 -5.912 1.749 1.00 0.00 C ATOM 421 CZ TYR A 431 -0.937 -5.625 2.975 1.00 0.00 C ATOM 422 OH TYR A 431 -1.064 -6.619 3.919 1.00 0.00 O ATOM 0 H TYR A 431 -0.426 -0.770 1.982 1.00 0.00 H new ATOM 0 HA TYR A 431 1.555 -2.062 0.216 1.00 0.00 H new ATOM 0 HB2 TYR A 431 -1.472 -1.970 -0.035 1.00 0.00 H new ATOM 0 HB3 TYR A 431 -0.367 -2.981 -0.946 1.00 0.00 H new ATOM 0 HD1 TYR A 431 -1.581 -2.353 2.537 1.00 0.00 H new ATOM 0 HD2 TYR A 431 0.189 -5.141 -0.157 1.00 0.00 H new ATOM 0 HE1 TYR A 431 -1.808 -4.126 4.224 1.00 0.00 H new ATOM 0 HE2 TYR A 431 -0.039 -6.914 1.528 1.00 0.00 H new ATOM 0 HH TYR A 431 -0.712 -7.460 3.558 1.00 0.00 H new ATOM 432 N TYR A 432 1.735 0.233 -0.872 1.00 0.00 N ATOM 433 CA TYR A 432 1.864 1.339 -1.818 1.00 0.00 C ATOM 434 C TYR A 432 2.019 0.798 -3.235 1.00 0.00 C ATOM 435 O TYR A 432 3.006 0.137 -3.541 1.00 0.00 O ATOM 436 CB TYR A 432 3.089 2.193 -1.479 1.00 0.00 C ATOM 437 CG TYR A 432 2.883 3.186 -0.357 1.00 0.00 C ATOM 438 CD1 TYR A 432 2.367 4.451 -0.608 1.00 0.00 C ATOM 439 CD2 TYR A 432 3.226 2.864 0.950 1.00 0.00 C ATOM 440 CE1 TYR A 432 2.199 5.368 0.413 1.00 0.00 C ATOM 441 CE2 TYR A 432 3.057 3.773 1.977 1.00 0.00 C ATOM 442 CZ TYR A 432 2.544 5.024 1.703 1.00 0.00 C ATOM 443 OH TYR A 432 2.378 5.933 2.723 1.00 0.00 O ATOM 0 H TYR A 432 2.599 -0.004 -0.384 1.00 0.00 H new ATOM 0 HA TYR A 432 0.965 1.952 -1.751 1.00 0.00 H new ATOM 0 HB2 TYR A 432 3.913 1.531 -1.212 1.00 0.00 H new ATOM 0 HB3 TYR A 432 3.394 2.736 -2.374 1.00 0.00 H new ATOM 0 HD1 TYR A 432 2.093 4.723 -1.617 1.00 0.00 H new ATOM 0 HD2 TYR A 432 3.632 1.887 1.167 1.00 0.00 H new ATOM 0 HE1 TYR A 432 1.800 6.349 0.201 1.00 0.00 H new ATOM 0 HE2 TYR A 432 3.325 3.506 2.988 1.00 0.00 H new ATOM 0 HH TYR A 432 1.625 6.525 2.515 1.00 0.00 H new ATOM 453 N LYS A 433 1.053 1.077 -4.101 1.00 0.00 N ATOM 454 CA LYS A 433 1.123 0.599 -5.478 1.00 0.00 C ATOM 455 C LYS A 433 1.206 1.759 -6.460 1.00 0.00 C ATOM 456 O LYS A 433 0.575 2.798 -6.266 1.00 0.00 O ATOM 457 CB LYS A 433 -0.088 -0.271 -5.809 1.00 0.00 C ATOM 458 CG LYS A 433 -1.415 0.454 -5.667 1.00 0.00 C ATOM 459 CD LYS A 433 -2.572 -0.404 -6.153 1.00 0.00 C ATOM 460 CE LYS A 433 -2.675 -0.394 -7.669 1.00 0.00 C ATOM 461 NZ LYS A 433 -3.167 -1.695 -8.203 1.00 0.00 N ATOM 0 H LYS A 433 0.221 1.625 -3.880 1.00 0.00 H new ATOM 0 HA LYS A 433 2.029 -0.000 -5.572 1.00 0.00 H new ATOM 0 HB2 LYS A 433 0.008 -0.639 -6.831 1.00 0.00 H new ATOM 0 HB3 LYS A 433 -0.088 -1.143 -5.155 1.00 0.00 H new ATOM 0 HG2 LYS A 433 -1.574 0.724 -4.623 1.00 0.00 H new ATOM 0 HG3 LYS A 433 -1.386 1.384 -6.235 1.00 0.00 H new ATOM 0 HD2 LYS A 433 -2.439 -1.428 -5.803 1.00 0.00 H new ATOM 0 HD3 LYS A 433 -3.504 -0.038 -5.722 1.00 0.00 H new ATOM 0 HE2 LYS A 433 -3.348 0.404 -7.981 1.00 0.00 H new ATOM 0 HE3 LYS A 433 -1.698 -0.172 -8.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 -3.223 -1.646 -9.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 -2.511 -2.454 -7.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 -4.111 -1.895 -7.815 1.00 0.00 H new ATOM 475 N CYS A 434 1.982 1.570 -7.523 1.00 0.00 N ATOM 476 CA CYS A 434 2.142 2.592 -8.543 1.00 0.00 C ATOM 477 C CYS A 434 1.053 2.457 -9.600 1.00 0.00 C ATOM 478 O CYS A 434 0.742 1.354 -10.050 1.00 0.00 O ATOM 479 CB CYS A 434 3.529 2.481 -9.197 1.00 0.00 C ATOM 480 SG CYS A 434 3.700 3.364 -10.773 1.00 0.00 S ATOM 0 H CYS A 434 2.510 0.715 -7.697 1.00 0.00 H new ATOM 0 HA CYS A 434 2.055 3.571 -8.071 1.00 0.00 H new ATOM 0 HB2 CYS A 434 4.275 2.862 -8.500 1.00 0.00 H new ATOM 0 HB3 CYS A 434 3.755 1.427 -9.361 1.00 0.00 H new ATOM 0 HG CYS A 434 3.799 2.505 -11.743 1.00 0.00 H new ATOM 485 N THR A 435 0.495 3.586 -10.005 1.00 0.00 N ATOM 486 CA THR A 435 -0.540 3.604 -11.025 1.00 0.00 C ATOM 487 C THR A 435 -0.030 4.344 -12.249 1.00 0.00 C ATOM 488 O THR A 435 0.760 5.280 -12.126 1.00 0.00 O ATOM 489 CB THR A 435 -1.826 4.283 -10.518 1.00 0.00 C ATOM 490 OG1 THR A 435 -1.609 5.690 -10.365 1.00 0.00 O ATOM 491 CG2 THR A 435 -2.267 3.686 -9.189 1.00 0.00 C ATOM 0 H THR A 435 0.743 4.506 -9.641 1.00 0.00 H new ATOM 0 HA THR A 435 -0.780 2.572 -11.279 1.00 0.00 H new ATOM 0 HB THR A 435 -2.613 4.114 -11.253 1.00 0.00 H new ATOM 0 HG1 THR A 435 -2.432 6.115 -10.044 1.00 0.00 H new ATOM 0 HG21 THR A 435 -3.177 4.182 -8.852 1.00 0.00 H new ATOM 0 HG22 THR A 435 -2.460 2.621 -9.315 1.00 0.00 H new ATOM 0 HG23 THR A 435 -1.481 3.828 -8.448 1.00 0.00 H new ATOM 499 N THR A 436 -0.484 3.944 -13.431 1.00 0.00 N ATOM 500 CA THR A 436 -0.069 4.594 -14.664 1.00 0.00 C ATOM 501 C THR A 436 -0.919 4.085 -15.821 1.00 0.00 C ATOM 502 O THR A 436 -1.180 2.887 -15.915 1.00 0.00 O ATOM 503 CB THR A 436 1.417 4.329 -14.981 1.00 0.00 C ATOM 504 OG1 THR A 436 2.167 4.173 -13.771 1.00 0.00 O ATOM 505 CG2 THR A 436 2.006 5.462 -15.804 1.00 0.00 C ATOM 0 H THR A 436 -1.139 3.173 -13.560 1.00 0.00 H new ATOM 0 HA THR A 436 -0.204 5.667 -14.532 1.00 0.00 H new ATOM 0 HB THR A 436 1.476 3.408 -15.561 1.00 0.00 H new ATOM 0 HG1 THR A 436 2.025 4.953 -13.195 1.00 0.00 H new ATOM 0 HG21 THR A 436 3.055 5.252 -16.015 1.00 0.00 H new ATOM 0 HG22 THR A 436 1.459 5.553 -16.742 1.00 0.00 H new ATOM 0 HG23 THR A 436 1.928 6.395 -15.247 1.00 0.00 H new ATOM 513 N PRO A 437 -1.369 4.976 -16.719 1.00 0.00 N ATOM 514 CA PRO A 437 -2.191 4.581 -17.864 1.00 0.00 C ATOM 515 C PRO A 437 -1.514 3.495 -18.691 1.00 0.00 C ATOM 516 O PRO A 437 -0.855 3.784 -19.689 1.00 0.00 O ATOM 517 CB PRO A 437 -2.337 5.872 -18.683 1.00 0.00 C ATOM 518 CG PRO A 437 -1.313 6.812 -18.136 1.00 0.00 C ATOM 519 CD PRO A 437 -1.118 6.424 -16.699 1.00 0.00 C ATOM 0 HA PRO A 437 -3.149 4.163 -17.555 1.00 0.00 H new ATOM 0 HB2 PRO A 437 -2.170 5.684 -19.744 1.00 0.00 H new ATOM 0 HB3 PRO A 437 -3.341 6.286 -18.587 1.00 0.00 H new ATOM 0 HG2 PRO A 437 -0.378 6.736 -18.691 1.00 0.00 H new ATOM 0 HG3 PRO A 437 -1.649 7.846 -18.219 1.00 0.00 H new ATOM 0 HD2 PRO A 437 -0.112 6.656 -16.350 1.00 0.00 H new ATOM 0 HD3 PRO A 437 -1.812 6.946 -16.041 1.00 0.00 H new ATOM 527 N GLY A 438 -1.667 2.245 -18.261 1.00 0.00 N ATOM 528 CA GLY A 438 -1.054 1.137 -18.966 1.00 0.00 C ATOM 529 C GLY A 438 -0.057 0.379 -18.101 1.00 0.00 C ATOM 530 O GLY A 438 0.560 -0.582 -18.560 1.00 0.00 O ATOM 0 H GLY A 438 -2.206 1.982 -17.436 1.00 0.00 H new ATOM 0 HA2 GLY A 438 -1.831 0.452 -19.306 1.00 0.00 H new ATOM 0 HA3 GLY A 438 -0.548 1.511 -19.856 1.00 0.00 H new ATOM 534 N CYS A 439 0.114 0.816 -16.851 1.00 0.00 N ATOM 535 CA CYS A 439 1.058 0.166 -15.944 1.00 0.00 C ATOM 536 C CYS A 439 0.497 0.027 -14.527 1.00 0.00 C ATOM 537 O CYS A 439 -0.307 0.845 -14.071 1.00 0.00 O ATOM 538 CB CYS A 439 2.384 0.944 -15.926 1.00 0.00 C ATOM 539 SG CYS A 439 2.999 1.407 -14.282 1.00 0.00 S ATOM 0 H CYS A 439 -0.384 1.610 -16.448 1.00 0.00 H new ATOM 0 HA CYS A 439 1.234 -0.843 -16.316 1.00 0.00 H new ATOM 0 HB2 CYS A 439 3.145 0.342 -16.423 1.00 0.00 H new ATOM 0 HB3 CYS A 439 2.260 1.852 -16.517 1.00 0.00 H new ATOM 0 HG CYS A 439 2.368 2.464 -13.864 1.00 0.00 H new ATOM 544 N GLY A 440 0.957 -1.020 -13.844 1.00 0.00 N ATOM 545 CA GLY A 440 0.534 -1.285 -12.480 1.00 0.00 C ATOM 546 C GLY A 440 1.590 -2.035 -11.686 1.00 0.00 C ATOM 547 O GLY A 440 1.819 -3.224 -11.914 1.00 0.00 O ATOM 0 H GLY A 440 1.623 -1.696 -14.218 1.00 0.00 H new ATOM 0 HA2 GLY A 440 0.309 -0.342 -11.982 1.00 0.00 H new ATOM 0 HA3 GLY A 440 -0.388 -1.866 -12.494 1.00 0.00 H new ATOM 551 N VAL A 441 2.232 -1.340 -10.752 1.00 0.00 N ATOM 552 CA VAL A 441 3.272 -1.939 -9.917 1.00 0.00 C ATOM 553 C VAL A 441 2.906 -1.813 -8.441 1.00 0.00 C ATOM 554 O VAL A 441 2.193 -0.889 -8.052 1.00 0.00 O ATOM 555 CB VAL A 441 4.642 -1.267 -10.175 1.00 0.00 C ATOM 556 CG1 VAL A 441 5.591 -1.447 -8.994 1.00 0.00 C ATOM 557 CG2 VAL A 441 5.266 -1.815 -11.448 1.00 0.00 C ATOM 0 H VAL A 441 2.050 -0.356 -10.553 1.00 0.00 H new ATOM 0 HA VAL A 441 3.347 -2.995 -10.178 1.00 0.00 H new ATOM 0 HB VAL A 441 4.469 -0.198 -10.296 1.00 0.00 H new ATOM 0 HG11 VAL A 441 6.542 -0.961 -9.214 1.00 0.00 H new ATOM 0 HG12 VAL A 441 5.152 -0.999 -8.103 1.00 0.00 H new ATOM 0 HG13 VAL A 441 5.758 -2.510 -8.820 1.00 0.00 H new ATOM 0 HG21 VAL A 441 6.229 -1.334 -11.617 1.00 0.00 H new ATOM 0 HG22 VAL A 441 5.410 -2.891 -11.349 1.00 0.00 H new ATOM 0 HG23 VAL A 441 4.606 -1.614 -12.292 1.00 0.00 H new ATOM 567 N ARG A 442 3.391 -2.739 -7.616 1.00 0.00 N ATOM 568 CA ARG A 442 3.100 -2.706 -6.187 1.00 0.00 C ATOM 569 C ARG A 442 4.379 -2.522 -5.374 1.00 0.00 C ATOM 570 O ARG A 442 5.466 -2.903 -5.807 1.00 0.00 O ATOM 571 CB ARG A 442 2.391 -3.992 -5.756 1.00 0.00 C ATOM 572 CG ARG A 442 1.040 -4.197 -6.431 1.00 0.00 C ATOM 573 CD ARG A 442 1.023 -5.453 -7.290 1.00 0.00 C ATOM 574 NE ARG A 442 -0.078 -6.346 -6.935 1.00 0.00 N ATOM 575 CZ ARG A 442 0.078 -7.536 -6.353 1.00 0.00 C ATOM 576 NH1 ARG A 442 1.288 -7.982 -6.034 1.00 0.00 N ATOM 577 NH2 ARG A 442 -0.984 -8.283 -6.083 1.00 0.00 N ATOM 0 H ARG A 442 3.983 -3.516 -7.911 1.00 0.00 H new ATOM 0 HA ARG A 442 2.443 -1.857 -5.998 1.00 0.00 H new ATOM 0 HB2 ARG A 442 3.033 -4.844 -5.980 1.00 0.00 H new ATOM 0 HB3 ARG A 442 2.249 -3.975 -4.675 1.00 0.00 H new ATOM 0 HG2 ARG A 442 0.261 -4.265 -5.672 1.00 0.00 H new ATOM 0 HG3 ARG A 442 0.807 -3.330 -7.050 1.00 0.00 H new ATOM 0 HD2 ARG A 442 0.938 -5.173 -8.340 1.00 0.00 H new ATOM 0 HD3 ARG A 442 1.969 -5.982 -7.177 1.00 0.00 H new ATOM 0 HE ARG A 442 -1.028 -6.039 -7.146 1.00 0.00 H new ATOM 0 HH11 ARG A 442 2.110 -7.413 -6.234 1.00 0.00 H new ATOM 0 HH12 ARG A 442 1.395 -8.894 -5.589 1.00 0.00 H new ATOM 0 HH21 ARG A 442 -1.917 -7.947 -6.320 1.00 0.00 H new ATOM 0 HH22 ARG A 442 -0.867 -9.193 -5.638 1.00 0.00 H new ATOM 591 N LYS A 443 4.236 -1.929 -4.195 1.00 0.00 N ATOM 592 CA LYS A 443 5.367 -1.679 -3.307 1.00 0.00 C ATOM 593 C LYS A 443 4.947 -1.876 -1.851 1.00 0.00 C ATOM 594 O LYS A 443 3.892 -1.401 -1.432 1.00 0.00 O ATOM 595 CB LYS A 443 5.899 -0.256 -3.532 1.00 0.00 C ATOM 596 CG LYS A 443 7.019 0.159 -2.589 1.00 0.00 C ATOM 597 CD LYS A 443 6.712 1.483 -1.910 1.00 0.00 C ATOM 598 CE LYS A 443 6.606 2.620 -2.908 1.00 0.00 C ATOM 599 NZ LYS A 443 7.937 3.200 -3.237 1.00 0.00 N ATOM 0 H LYS A 443 3.339 -1.609 -3.828 1.00 0.00 H new ATOM 0 HA LYS A 443 6.164 -2.388 -3.531 1.00 0.00 H new ATOM 0 HB2 LYS A 443 6.257 -0.174 -4.558 1.00 0.00 H new ATOM 0 HB3 LYS A 443 5.073 0.447 -3.426 1.00 0.00 H new ATOM 0 HG2 LYS A 443 7.165 -0.613 -1.834 1.00 0.00 H new ATOM 0 HG3 LYS A 443 7.953 0.242 -3.145 1.00 0.00 H new ATOM 0 HD2 LYS A 443 5.777 1.398 -1.356 1.00 0.00 H new ATOM 0 HD3 LYS A 443 7.494 1.709 -1.185 1.00 0.00 H new ATOM 0 HE2 LYS A 443 6.133 2.258 -3.821 1.00 0.00 H new ATOM 0 HE3 LYS A 443 5.961 3.400 -2.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 7.822 3.951 -3.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 8.364 3.599 -2.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 8.556 2.455 -3.617 1.00 0.00 H new ATOM 613 N HIS A 444 5.773 -2.585 -1.088 1.00 0.00 N ATOM 614 CA HIS A 444 5.473 -2.849 0.317 1.00 0.00 C ATOM 615 C HIS A 444 6.440 -2.100 1.228 1.00 0.00 C ATOM 616 O HIS A 444 7.655 -2.152 1.037 1.00 0.00 O ATOM 617 CB HIS A 444 5.546 -4.349 0.604 1.00 0.00 C ATOM 618 CG HIS A 444 4.405 -5.130 0.027 1.00 0.00 C ATOM 619 ND1 HIS A 444 4.503 -5.853 -1.143 1.00 0.00 N ATOM 620 CD2 HIS A 444 3.138 -5.305 0.470 1.00 0.00 C ATOM 621 CE1 HIS A 444 3.345 -6.437 -1.395 1.00 0.00 C ATOM 622 NE2 HIS A 444 2.501 -6.122 -0.431 1.00 0.00 N ATOM 0 H HIS A 444 6.652 -2.986 -1.416 1.00 0.00 H new ATOM 0 HA HIS A 444 4.461 -2.496 0.519 1.00 0.00 H new ATOM 0 HB2 HIS A 444 6.481 -4.741 0.205 1.00 0.00 H new ATOM 0 HB3 HIS A 444 5.571 -4.503 1.683 1.00 0.00 H new ATOM 0 HD1 HIS A 444 5.339 -5.926 -1.723 1.00 0.00 H new ATOM 0 HD2 HIS A 444 2.708 -4.881 1.365 1.00 0.00 H new ATOM 0 HE1 HIS A 444 3.126 -7.066 -2.246 1.00 0.00 H new ATOM 631 N VAL A 445 5.889 -1.391 2.211 1.00 0.00 N ATOM 632 CA VAL A 445 6.697 -0.616 3.144 1.00 0.00 C ATOM 633 C VAL A 445 6.641 -1.197 4.553 1.00 0.00 C ATOM 634 O VAL A 445 5.567 -1.313 5.145 1.00 0.00 O ATOM 635 CB VAL A 445 6.219 0.848 3.198 1.00 0.00 C ATOM 636 CG1 VAL A 445 7.180 1.702 4.007 1.00 0.00 C ATOM 637 CG2 VAL A 445 6.048 1.408 1.796 1.00 0.00 C ATOM 0 H VAL A 445 4.885 -1.339 2.380 1.00 0.00 H new ATOM 0 HA VAL A 445 7.724 -0.658 2.781 1.00 0.00 H new ATOM 0 HB VAL A 445 5.249 0.870 3.695 1.00 0.00 H new ATOM 0 HG11 VAL A 445 6.821 2.731 4.030 1.00 0.00 H new ATOM 0 HG12 VAL A 445 7.242 1.316 5.024 1.00 0.00 H new ATOM 0 HG13 VAL A 445 8.168 1.673 3.547 1.00 0.00 H new ATOM 0 HG21 VAL A 445 5.710 2.443 1.856 1.00 0.00 H new ATOM 0 HG22 VAL A 445 7.001 1.368 1.269 1.00 0.00 H new ATOM 0 HG23 VAL A 445 5.310 0.816 1.255 1.00 0.00 H new ATOM 647 N GLU A 446 7.804 -1.557 5.085 1.00 0.00 N ATOM 648 CA GLU A 446 7.891 -2.121 6.428 1.00 0.00 C ATOM 649 C GLU A 446 8.982 -1.421 7.233 1.00 0.00 C ATOM 650 O GLU A 446 9.966 -0.942 6.672 1.00 0.00 O ATOM 651 CB GLU A 446 8.177 -3.621 6.352 1.00 0.00 C ATOM 652 CG GLU A 446 7.471 -4.434 7.424 1.00 0.00 C ATOM 653 CD GLU A 446 7.416 -5.912 7.094 1.00 0.00 C ATOM 654 OE1 GLU A 446 7.103 -6.250 5.932 1.00 0.00 O ATOM 655 OE2 GLU A 446 7.687 -6.734 7.996 1.00 0.00 O ATOM 0 H GLU A 446 8.700 -1.468 4.607 1.00 0.00 H new ATOM 0 HA GLU A 446 6.936 -1.967 6.930 1.00 0.00 H new ATOM 0 HB2 GLU A 446 7.875 -3.990 5.372 1.00 0.00 H new ATOM 0 HB3 GLU A 446 9.252 -3.781 6.436 1.00 0.00 H new ATOM 0 HG2 GLU A 446 7.985 -4.297 8.376 1.00 0.00 H new ATOM 0 HG3 GLU A 446 6.457 -4.056 7.552 1.00 0.00 H new ATOM 662 N ARG A 447 8.806 -1.362 8.547 1.00 0.00 N ATOM 663 CA ARG A 447 9.783 -0.716 9.416 1.00 0.00 C ATOM 664 C ARG A 447 10.727 -1.745 10.032 1.00 0.00 C ATOM 665 O ARG A 447 10.458 -2.944 10.000 1.00 0.00 O ATOM 666 CB ARG A 447 9.073 0.072 10.518 1.00 0.00 C ATOM 667 CG ARG A 447 8.910 1.551 10.201 1.00 0.00 C ATOM 668 CD ARG A 447 7.505 1.868 9.717 1.00 0.00 C ATOM 669 NE ARG A 447 6.982 3.091 10.321 1.00 0.00 N ATOM 670 CZ ARG A 447 5.698 3.290 10.614 1.00 0.00 C ATOM 671 NH1 ARG A 447 4.789 2.363 10.335 1.00 0.00 N ATOM 672 NH2 ARG A 447 5.319 4.427 11.180 1.00 0.00 N ATOM 0 H ARG A 447 7.999 -1.752 9.034 1.00 0.00 H new ATOM 0 HA ARG A 447 10.373 -0.027 8.811 1.00 0.00 H new ATOM 0 HB2 ARG A 447 8.089 -0.365 10.689 1.00 0.00 H new ATOM 0 HB3 ARG A 447 9.634 -0.032 11.447 1.00 0.00 H new ATOM 0 HG2 ARG A 447 9.131 2.141 11.091 1.00 0.00 H new ATOM 0 HG3 ARG A 447 9.632 1.842 9.438 1.00 0.00 H new ATOM 0 HD2 ARG A 447 7.510 1.973 8.632 1.00 0.00 H new ATOM 0 HD3 ARG A 447 6.843 1.035 9.954 1.00 0.00 H new ATOM 0 HE ARG A 447 7.642 3.840 10.532 1.00 0.00 H new ATOM 0 HH11 ARG A 447 5.072 1.489 9.892 1.00 0.00 H new ATOM 0 HH12 ARG A 447 3.808 2.525 10.564 1.00 0.00 H new ATOM 0 HH21 ARG A 447 6.010 5.147 11.390 1.00 0.00 H new ATOM 0 HH22 ARG A 447 4.336 4.582 11.405 1.00 0.00 H new ATOM 686 N ALA A 448 11.835 -1.266 10.588 1.00 0.00 N ATOM 687 CA ALA A 448 12.819 -2.147 11.209 1.00 0.00 C ATOM 688 C ALA A 448 12.466 -2.423 12.666 1.00 0.00 C ATOM 689 O ALA A 448 12.106 -1.511 13.411 1.00 0.00 O ATOM 690 CB ALA A 448 14.210 -1.540 11.104 1.00 0.00 C ATOM 0 H ALA A 448 12.074 -0.275 10.622 1.00 0.00 H new ATOM 0 HA ALA A 448 12.809 -3.097 10.675 1.00 0.00 H new ATOM 0 HB1 ALA A 448 14.934 -2.207 11.571 1.00 0.00 H new ATOM 0 HB2 ALA A 448 14.468 -1.402 10.054 1.00 0.00 H new ATOM 0 HB3 ALA A 448 14.225 -0.575 11.611 1.00 0.00 H new ATOM 696 N ALA A 449 12.567 -3.686 13.067 1.00 0.00 N ATOM 697 CA ALA A 449 12.255 -4.081 14.435 1.00 0.00 C ATOM 698 C ALA A 449 13.258 -3.497 15.430 1.00 0.00 C ATOM 699 O ALA A 449 13.015 -3.492 16.637 1.00 0.00 O ATOM 700 CB ALA A 449 12.216 -5.599 14.549 1.00 0.00 C ATOM 0 H ALA A 449 12.863 -4.453 12.464 1.00 0.00 H new ATOM 0 HA ALA A 449 11.272 -3.681 14.683 1.00 0.00 H new ATOM 0 HB1 ALA A 449 11.982 -5.881 15.576 1.00 0.00 H new ATOM 0 HB2 ALA A 449 11.451 -5.995 13.881 1.00 0.00 H new ATOM 0 HB3 ALA A 449 13.187 -6.010 14.272 1.00 0.00 H new ATOM 706 N THR A 450 14.384 -3.001 14.921 1.00 0.00 N ATOM 707 CA THR A 450 15.413 -2.413 15.771 1.00 0.00 C ATOM 708 C THR A 450 15.597 -0.928 15.466 1.00 0.00 C ATOM 709 O THR A 450 16.637 -0.348 15.779 1.00 0.00 O ATOM 710 CB THR A 450 16.765 -3.131 15.599 1.00 0.00 C ATOM 711 OG1 THR A 450 16.814 -3.789 14.328 1.00 0.00 O ATOM 712 CG2 THR A 450 16.986 -4.148 16.710 1.00 0.00 C ATOM 0 H THR A 450 14.605 -2.995 13.925 1.00 0.00 H new ATOM 0 HA THR A 450 15.076 -2.532 16.801 1.00 0.00 H new ATOM 0 HB THR A 450 17.555 -2.382 15.651 1.00 0.00 H new ATOM 0 HG1 THR A 450 17.678 -4.241 14.227 1.00 0.00 H new ATOM 0 HG21 THR A 450 17.947 -4.641 16.566 1.00 0.00 H new ATOM 0 HG22 THR A 450 16.980 -3.640 17.675 1.00 0.00 H new ATOM 0 HG23 THR A 450 16.189 -4.892 16.686 1.00 0.00 H new ATOM 720 N ASP A 451 14.583 -0.317 14.858 1.00 0.00 N ATOM 721 CA ASP A 451 14.638 1.100 14.513 1.00 0.00 C ATOM 722 C ASP A 451 13.347 1.549 13.830 1.00 0.00 C ATOM 723 O ASP A 451 13.154 1.310 12.637 1.00 0.00 O ATOM 724 CB ASP A 451 15.830 1.379 13.594 1.00 0.00 C ATOM 725 CG ASP A 451 15.991 2.855 13.285 1.00 0.00 C ATOM 726 OD1 ASP A 451 15.271 3.673 13.894 1.00 0.00 O ATOM 727 OD2 ASP A 451 16.842 3.194 12.435 1.00 0.00 O ATOM 0 H ASP A 451 13.714 -0.781 14.594 1.00 0.00 H new ATOM 0 HA ASP A 451 14.756 1.664 15.438 1.00 0.00 H new ATOM 0 HB2 ASP A 451 16.741 1.008 14.063 1.00 0.00 H new ATOM 0 HB3 ASP A 451 15.703 0.828 12.662 1.00 0.00 H new ATOM 732 N PRO A 452 12.442 2.210 14.575 1.00 0.00 N ATOM 733 CA PRO A 452 11.170 2.692 14.027 1.00 0.00 C ATOM 734 C PRO A 452 11.370 3.766 12.958 1.00 0.00 C ATOM 735 O PRO A 452 10.447 4.085 12.208 1.00 0.00 O ATOM 736 CB PRO A 452 10.442 3.287 15.242 1.00 0.00 C ATOM 737 CG PRO A 452 11.169 2.769 16.438 1.00 0.00 C ATOM 738 CD PRO A 452 12.586 2.543 15.999 1.00 0.00 C ATOM 0 HA PRO A 452 10.618 1.890 13.537 1.00 0.00 H new ATOM 0 HB2 PRO A 452 10.459 4.377 15.214 1.00 0.00 H new ATOM 0 HB3 PRO A 452 9.395 2.985 15.258 1.00 0.00 H new ATOM 0 HG2 PRO A 452 11.125 3.483 17.260 1.00 0.00 H new ATOM 0 HG3 PRO A 452 10.720 1.843 16.796 1.00 0.00 H new ATOM 0 HD2 PRO A 452 13.200 3.431 16.146 1.00 0.00 H new ATOM 0 HD3 PRO A 452 13.057 1.734 16.557 1.00 0.00 H new ATOM 746 N LYS A 453 12.577 4.320 12.898 1.00 0.00 N ATOM 747 CA LYS A 453 12.895 5.361 11.927 1.00 0.00 C ATOM 748 C LYS A 453 13.348 4.763 10.597 1.00 0.00 C ATOM 749 O LYS A 453 13.253 5.410 9.554 1.00 0.00 O ATOM 750 CB LYS A 453 13.982 6.282 12.483 1.00 0.00 C ATOM 751 CG LYS A 453 14.385 7.399 11.530 1.00 0.00 C ATOM 752 CD LYS A 453 15.878 7.379 11.244 1.00 0.00 C ATOM 753 CE LYS A 453 16.693 7.563 12.514 1.00 0.00 C ATOM 754 NZ LYS A 453 17.086 6.259 13.118 1.00 0.00 N ATOM 0 H LYS A 453 13.351 4.065 13.511 1.00 0.00 H new ATOM 0 HA LYS A 453 11.989 5.939 11.745 1.00 0.00 H new ATOM 0 HB2 LYS A 453 13.630 6.722 13.416 1.00 0.00 H new ATOM 0 HB3 LYS A 453 14.863 5.686 12.723 1.00 0.00 H new ATOM 0 HG2 LYS A 453 13.834 7.297 10.595 1.00 0.00 H new ATOM 0 HG3 LYS A 453 14.109 8.362 11.960 1.00 0.00 H new ATOM 0 HD2 LYS A 453 16.146 6.434 10.773 1.00 0.00 H new ATOM 0 HD3 LYS A 453 16.124 8.170 10.535 1.00 0.00 H new ATOM 0 HE2 LYS A 453 17.588 8.143 12.290 1.00 0.00 H new ATOM 0 HE3 LYS A 453 16.114 8.138 13.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 16.478 6.059 13.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 16.977 5.503 12.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 18.078 6.304 13.426 1.00 0.00 H new ATOM 768 N ALA A 454 13.841 3.528 10.635 1.00 0.00 N ATOM 769 CA ALA A 454 14.306 2.857 9.427 1.00 0.00 C ATOM 770 C ALA A 454 13.163 2.127 8.730 1.00 0.00 C ATOM 771 O ALA A 454 12.422 1.372 9.359 1.00 0.00 O ATOM 772 CB ALA A 454 15.429 1.888 9.761 1.00 0.00 C ATOM 0 H ALA A 454 13.928 2.974 11.487 1.00 0.00 H new ATOM 0 HA ALA A 454 14.688 3.615 8.743 1.00 0.00 H new ATOM 0 HB1 ALA A 454 15.766 1.394 8.850 1.00 0.00 H new ATOM 0 HB2 ALA A 454 16.260 2.434 10.207 1.00 0.00 H new ATOM 0 HB3 ALA A 454 15.066 1.140 10.466 1.00 0.00 H new ATOM 778 N VAL A 455 13.023 2.361 7.429 1.00 0.00 N ATOM 779 CA VAL A 455 11.965 1.728 6.651 1.00 0.00 C ATOM 780 C VAL A 455 12.532 0.928 5.482 1.00 0.00 C ATOM 781 O VAL A 455 13.580 1.268 4.932 1.00 0.00 O ATOM 782 CB VAL A 455 10.973 2.771 6.104 1.00 0.00 C ATOM 783 CG1 VAL A 455 9.771 2.089 5.471 1.00 0.00 C ATOM 784 CG2 VAL A 455 10.533 3.720 7.210 1.00 0.00 C ATOM 0 H VAL A 455 13.628 2.983 6.893 1.00 0.00 H new ATOM 0 HA VAL A 455 11.443 1.052 7.328 1.00 0.00 H new ATOM 0 HB VAL A 455 11.478 3.353 5.333 1.00 0.00 H new ATOM 0 HG11 VAL A 455 9.083 2.844 5.091 1.00 0.00 H new ATOM 0 HG12 VAL A 455 10.104 1.455 4.649 1.00 0.00 H new ATOM 0 HG13 VAL A 455 9.264 1.479 6.218 1.00 0.00 H new ATOM 0 HG21 VAL A 455 9.832 4.450 6.805 1.00 0.00 H new ATOM 0 HG22 VAL A 455 10.048 3.153 8.004 1.00 0.00 H new ATOM 0 HG23 VAL A 455 11.404 4.237 7.613 1.00 0.00 H new ATOM 794 N VAL A 456 11.825 -0.132 5.105 1.00 0.00 N ATOM 795 CA VAL A 456 12.243 -0.985 3.998 1.00 0.00 C ATOM 796 C VAL A 456 11.284 -0.839 2.819 1.00 0.00 C ATOM 797 O VAL A 456 10.079 -0.680 3.008 1.00 0.00 O ATOM 798 CB VAL A 456 12.323 -2.469 4.422 1.00 0.00 C ATOM 799 CG1 VAL A 456 13.074 -2.609 5.736 1.00 0.00 C ATOM 800 CG2 VAL A 456 10.934 -3.085 4.528 1.00 0.00 C ATOM 0 H VAL A 456 10.955 -0.422 5.552 1.00 0.00 H new ATOM 0 HA VAL A 456 13.239 -0.662 3.697 1.00 0.00 H new ATOM 0 HB VAL A 456 12.872 -3.011 3.651 1.00 0.00 H new ATOM 0 HG11 VAL A 456 13.120 -3.661 6.018 1.00 0.00 H new ATOM 0 HG12 VAL A 456 14.085 -2.220 5.620 1.00 0.00 H new ATOM 0 HG13 VAL A 456 12.556 -2.047 6.513 1.00 0.00 H new ATOM 0 HG21 VAL A 456 11.021 -4.129 4.828 1.00 0.00 H new ATOM 0 HG22 VAL A 456 10.351 -2.541 5.271 1.00 0.00 H new ATOM 0 HG23 VAL A 456 10.435 -3.026 3.561 1.00 0.00 H new ATOM 810 N THR A 457 11.823 -0.884 1.606 1.00 0.00 N ATOM 811 CA THR A 457 11.003 -0.745 0.409 1.00 0.00 C ATOM 812 C THR A 457 11.227 -1.893 -0.569 1.00 0.00 C ATOM 813 O THR A 457 12.341 -2.115 -1.039 1.00 0.00 O ATOM 814 CB THR A 457 11.283 0.585 -0.314 1.00 0.00 C ATOM 815 OG1 THR A 457 11.843 1.534 0.602 1.00 0.00 O ATOM 816 CG2 THR A 457 10.006 1.147 -0.916 1.00 0.00 C ATOM 0 H THR A 457 12.818 -1.015 1.426 1.00 0.00 H new ATOM 0 HA THR A 457 9.967 -0.763 0.746 1.00 0.00 H new ATOM 0 HB THR A 457 11.995 0.395 -1.117 1.00 0.00 H new ATOM 0 HG1 THR A 457 12.019 2.376 0.133 1.00 0.00 H new ATOM 0 HG21 THR A 457 10.225 2.087 -1.422 1.00 0.00 H new ATOM 0 HG22 THR A 457 9.598 0.435 -1.633 1.00 0.00 H new ATOM 0 HG23 THR A 457 9.277 1.323 -0.125 1.00 0.00 H new ATOM 824 N THR A 458 10.151 -2.612 -0.872 1.00 0.00 N ATOM 825 CA THR A 458 10.214 -3.736 -1.800 1.00 0.00 C ATOM 826 C THR A 458 9.270 -3.512 -2.978 1.00 0.00 C ATOM 827 O THR A 458 8.085 -3.235 -2.790 1.00 0.00 O ATOM 828 CB THR A 458 9.844 -5.060 -1.108 1.00 0.00 C ATOM 829 OG1 THR A 458 10.345 -5.068 0.234 1.00 0.00 O ATOM 830 CG2 THR A 458 10.410 -6.245 -1.873 1.00 0.00 C ATOM 0 H THR A 458 9.223 -2.436 -0.487 1.00 0.00 H new ATOM 0 HA THR A 458 11.242 -3.801 -2.157 1.00 0.00 H new ATOM 0 HB THR A 458 8.757 -5.145 -1.090 1.00 0.00 H new ATOM 0 HG1 THR A 458 10.104 -5.913 0.668 1.00 0.00 H new ATOM 0 HG21 THR A 458 10.136 -7.170 -1.366 1.00 0.00 H new ATOM 0 HG22 THR A 458 10.004 -6.252 -2.885 1.00 0.00 H new ATOM 0 HG23 THR A 458 11.496 -6.164 -1.918 1.00 0.00 H new ATOM 838 N TYR A 459 9.800 -3.624 -4.190 1.00 0.00 N ATOM 839 CA TYR A 459 8.997 -3.422 -5.392 1.00 0.00 C ATOM 840 C TYR A 459 8.706 -4.741 -6.097 1.00 0.00 C ATOM 841 O TYR A 459 9.617 -5.513 -6.399 1.00 0.00 O ATOM 842 CB TYR A 459 9.711 -2.466 -6.347 1.00 0.00 C ATOM 843 CG TYR A 459 9.925 -1.086 -5.769 1.00 0.00 C ATOM 844 CD1 TYR A 459 8.888 -0.162 -5.727 1.00 0.00 C ATOM 845 CD2 TYR A 459 11.163 -0.709 -5.263 1.00 0.00 C ATOM 846 CE1 TYR A 459 9.080 1.101 -5.196 1.00 0.00 C ATOM 847 CE2 TYR A 459 11.361 0.550 -4.732 1.00 0.00 C ATOM 848 CZ TYR A 459 10.319 1.451 -4.700 1.00 0.00 C ATOM 849 OH TYR A 459 10.512 2.706 -4.170 1.00 0.00 O ATOM 0 H TYR A 459 10.778 -3.853 -4.367 1.00 0.00 H new ATOM 0 HA TYR A 459 8.045 -2.986 -5.088 1.00 0.00 H new ATOM 0 HB2 TYR A 459 10.677 -2.891 -6.619 1.00 0.00 H new ATOM 0 HB3 TYR A 459 9.130 -2.381 -7.265 1.00 0.00 H new ATOM 0 HD1 TYR A 459 7.917 -0.434 -6.115 1.00 0.00 H new ATOM 0 HD2 TYR A 459 11.983 -1.412 -5.285 1.00 0.00 H new ATOM 0 HE1 TYR A 459 8.265 1.809 -5.170 1.00 0.00 H new ATOM 0 HE2 TYR A 459 12.329 0.828 -4.343 1.00 0.00 H new ATOM 0 HH TYR A 459 11.439 2.793 -3.864 1.00 0.00 H new ATOM 859 N GLU A 460 7.427 -4.987 -6.360 1.00 0.00 N ATOM 860 CA GLU A 460 7.003 -6.208 -7.037 1.00 0.00 C ATOM 861 C GLU A 460 6.432 -5.883 -8.414 1.00 0.00 C ATOM 862 O GLU A 460 5.295 -5.426 -8.534 1.00 0.00 O ATOM 863 CB GLU A 460 5.959 -6.948 -6.198 1.00 0.00 C ATOM 864 CG GLU A 460 6.563 -7.820 -5.109 1.00 0.00 C ATOM 865 CD GLU A 460 5.829 -7.697 -3.788 1.00 0.00 C ATOM 866 OE1 GLU A 460 4.606 -7.950 -3.761 1.00 0.00 O ATOM 867 OE2 GLU A 460 6.477 -7.346 -2.779 1.00 0.00 O ATOM 0 H GLU A 460 6.664 -4.356 -6.114 1.00 0.00 H new ATOM 0 HA GLU A 460 7.874 -6.852 -7.162 1.00 0.00 H new ATOM 0 HB2 GLU A 460 5.290 -6.220 -5.740 1.00 0.00 H new ATOM 0 HB3 GLU A 460 5.351 -7.570 -6.855 1.00 0.00 H new ATOM 0 HG2 GLU A 460 6.549 -8.861 -5.433 1.00 0.00 H new ATOM 0 HG3 GLU A 460 7.608 -7.545 -4.967 1.00 0.00 H new ATOM 874 N GLY A 461 7.230 -6.117 -9.449 1.00 0.00 N ATOM 875 CA GLY A 461 6.790 -5.842 -10.805 1.00 0.00 C ATOM 876 C GLY A 461 7.785 -4.995 -11.576 1.00 0.00 C ATOM 877 O GLY A 461 8.977 -4.994 -11.271 1.00 0.00 O ATOM 0 H GLY A 461 8.175 -6.493 -9.374 1.00 0.00 H new ATOM 0 HA2 GLY A 461 6.634 -6.784 -11.331 1.00 0.00 H new ATOM 0 HA3 GLY A 461 5.828 -5.330 -10.775 1.00 0.00 H new ATOM 881 N LYS A 462 7.293 -4.271 -12.576 1.00 0.00 N ATOM 882 CA LYS A 462 8.145 -3.414 -13.393 1.00 0.00 C ATOM 883 C LYS A 462 7.324 -2.315 -14.064 1.00 0.00 C ATOM 884 O LYS A 462 6.153 -2.514 -14.385 1.00 0.00 O ATOM 885 CB LYS A 462 8.877 -4.247 -14.449 1.00 0.00 C ATOM 886 CG LYS A 462 10.392 -4.157 -14.353 1.00 0.00 C ATOM 887 CD LYS A 462 10.997 -5.443 -13.809 1.00 0.00 C ATOM 888 CE LYS A 462 12.161 -5.160 -12.874 1.00 0.00 C ATOM 889 NZ LYS A 462 11.770 -5.295 -11.444 1.00 0.00 N ATOM 0 H LYS A 462 6.308 -4.261 -12.840 1.00 0.00 H new ATOM 0 HA LYS A 462 8.881 -2.943 -12.742 1.00 0.00 H new ATOM 0 HB2 LYS A 462 8.576 -5.290 -14.349 1.00 0.00 H new ATOM 0 HB3 LYS A 462 8.564 -3.918 -15.440 1.00 0.00 H new ATOM 0 HG2 LYS A 462 10.808 -3.947 -15.339 1.00 0.00 H new ATOM 0 HG3 LYS A 462 10.667 -3.323 -13.707 1.00 0.00 H new ATOM 0 HD2 LYS A 462 10.232 -6.010 -13.278 1.00 0.00 H new ATOM 0 HD3 LYS A 462 11.337 -6.065 -14.637 1.00 0.00 H new ATOM 0 HE2 LYS A 462 12.978 -5.847 -13.093 1.00 0.00 H new ATOM 0 HE3 LYS A 462 12.535 -4.152 -13.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 462 12.357 -4.663 -10.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 462 10.769 -5.038 -11.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 462 11.911 -6.279 -11.137 1.00 0.00 H new ATOM 903 N HIS A 463 7.948 -1.162 -14.284 1.00 0.00 N ATOM 904 CA HIS A 463 7.269 -0.041 -14.928 1.00 0.00 C ATOM 905 C HIS A 463 7.576 -0.018 -16.421 1.00 0.00 C ATOM 906 O HIS A 463 8.731 0.116 -16.825 1.00 0.00 O ATOM 907 CB HIS A 463 7.688 1.284 -14.290 1.00 0.00 C ATOM 908 CG HIS A 463 7.523 1.306 -12.802 1.00 0.00 C ATOM 909 ND1 HIS A 463 6.382 1.761 -12.176 1.00 0.00 N ATOM 910 CD2 HIS A 463 8.365 0.926 -11.813 1.00 0.00 C ATOM 911 CE1 HIS A 463 6.529 1.659 -10.866 1.00 0.00 C ATOM 912 NE2 HIS A 463 7.724 1.153 -10.622 1.00 0.00 N ATOM 0 H HIS A 463 8.918 -0.979 -14.028 1.00 0.00 H new ATOM 0 HA HIS A 463 6.196 -0.171 -14.790 1.00 0.00 H new ATOM 0 HB2 HIS A 463 8.731 1.483 -14.535 1.00 0.00 H new ATOM 0 HB3 HIS A 463 7.099 2.091 -14.725 1.00 0.00 H new ATOM 0 HD2 HIS A 463 9.358 0.519 -11.938 1.00 0.00 H new ATOM 0 HE1 HIS A 463 5.797 1.941 -10.123 1.00 0.00 H new ATOM 0 HE2 HIS A 463 8.108 0.962 -9.697 1.00 0.00 H new ATOM 920 N ASN A 464 6.537 -0.158 -17.237 1.00 0.00 N ATOM 921 CA ASN A 464 6.700 -0.160 -18.685 1.00 0.00 C ATOM 922 C ASN A 464 6.469 1.230 -19.271 1.00 0.00 C ATOM 923 O ASN A 464 5.962 1.363 -20.385 1.00 0.00 O ATOM 924 CB ASN A 464 5.738 -1.162 -19.327 1.00 0.00 C ATOM 925 CG ASN A 464 4.283 -0.801 -19.095 1.00 0.00 C ATOM 926 OD1 ASN A 464 3.976 0.215 -18.470 1.00 0.00 O ATOM 927 ND2 ASN A 464 3.379 -1.631 -19.599 1.00 0.00 N ATOM 0 H ASN A 464 5.574 -0.271 -16.920 1.00 0.00 H new ATOM 0 HA ASN A 464 7.726 -0.456 -18.904 1.00 0.00 H new ATOM 0 HB2 ASN A 464 5.931 -1.210 -20.399 1.00 0.00 H new ATOM 0 HB3 ASN A 464 5.931 -2.156 -18.923 1.00 0.00 H new ATOM 0 HD21 ASN A 464 2.385 -1.439 -19.475 1.00 0.00 H new ATOM 0 HD22 ASN A 464 3.678 -2.461 -20.110 1.00 0.00 H new ATOM 934 N HIS A 465 6.844 2.264 -18.521 1.00 0.00 N ATOM 935 CA HIS A 465 6.676 3.638 -18.977 1.00 0.00 C ATOM 936 C HIS A 465 7.825 4.509 -18.476 1.00 0.00 C ATOM 937 O HIS A 465 8.350 4.287 -17.385 1.00 0.00 O ATOM 938 CB HIS A 465 5.345 4.204 -18.483 1.00 0.00 C ATOM 939 CG HIS A 465 5.233 4.253 -16.988 1.00 0.00 C ATOM 940 ND1 HIS A 465 5.758 5.272 -16.223 1.00 0.00 N ATOM 941 CD2 HIS A 465 4.650 3.396 -16.119 1.00 0.00 C ATOM 942 CE1 HIS A 465 5.504 5.039 -14.947 1.00 0.00 C ATOM 943 NE2 HIS A 465 4.833 3.905 -14.857 1.00 0.00 N ATOM 0 H HIS A 465 7.265 2.175 -17.596 1.00 0.00 H new ATOM 0 HA HIS A 465 6.679 3.640 -20.067 1.00 0.00 H new ATOM 0 HB2 HIS A 465 5.217 5.210 -18.882 1.00 0.00 H new ATOM 0 HB3 HIS A 465 4.531 3.597 -18.881 1.00 0.00 H new ATOM 0 HD2 HIS A 465 4.136 2.480 -16.371 1.00 0.00 H new ATOM 0 HE1 HIS A 465 5.795 5.668 -14.119 1.00 0.00 H new ATOM 0 HE2 HIS A 465 4.504 3.477 -13.991 1.00 0.00 H new