USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 438 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 434 CYS SG : rot -143:sc= -0.691! USER MOD Set 1.2: A 436 THR OG1 : rot 58:sc= -2.76! USER MOD Set 1.3: A 439 CYS SG : rot -101:sc= -0.547 USER MOD Set 1.4: A 463 HIS : no HD1:sc= -1.11 X(o=-8.4,f=-7.9) USER MOD Set 1.5: A 465 HIS : no HD1:sc= -3.3 K(o=-8.4,f=-7.6!) 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= -0.71 USER MOD Single : A 419 GLN : amide:sc= -0.0356 X(o=-0.036,f=-0.47) USER MOD Single : A 420 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 423 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 425 ASN : amide:sc= -3! C(o=-3!,f=-11!) USER MOD Single : A 427 TYR OH : rot 30:sc= -1.04 USER MOD Single : A 430 SER OG : rot 180:sc= 0 USER MOD Single : A 431 TYR OH : rot 180:sc= 0 USER MOD Single : A 432 TYR OH : rot 180:sc= -1.05 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 443 LYS NZ :NH3+ -126:sc= 0.343 (180deg=0) USER MOD Single : A 444 HIS : no HD1:sc= -0.398 K(o=-0.4,f=-2.1) USER MOD Single : A 450 THR OG1 : rot 180:sc= 0.0639 USER MOD Single : A 453 LYS NZ :NH3+ -148:sc= 0.248 (180deg=-1.24!) 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 459 TYR OH : rot 180:sc= 0 USER MOD Single : A 462 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 464 ASN : amide:sc= -0.0266 K(o=-0.027,f=-0.92) USER MOD ----------------------------------------------------------------- ATOM 70 N TYR A 412 7.500 8.882 -8.078 1.00 0.00 N ATOM 71 CA TYR A 412 6.377 8.189 -8.700 1.00 0.00 C ATOM 72 C TYR A 412 5.096 8.390 -7.897 1.00 0.00 C ATOM 73 O TYR A 412 5.099 9.056 -6.861 1.00 0.00 O ATOM 74 CB TYR A 412 6.679 6.696 -8.838 1.00 0.00 C ATOM 75 CG TYR A 412 7.942 6.397 -9.617 1.00 0.00 C ATOM 76 CD1 TYR A 412 8.309 7.173 -10.710 1.00 0.00 C ATOM 77 CD2 TYR A 412 8.765 5.337 -9.260 1.00 0.00 C ATOM 78 CE1 TYR A 412 9.460 6.901 -11.425 1.00 0.00 C ATOM 79 CE2 TYR A 412 9.917 5.058 -9.969 1.00 0.00 C ATOM 80 CZ TYR A 412 10.261 5.843 -11.050 1.00 0.00 C ATOM 81 OH TYR A 412 11.407 5.567 -11.758 1.00 0.00 O ATOM 0 HA TYR A 412 6.230 8.614 -9.693 1.00 0.00 H new ATOM 0 HB2 TYR A 412 6.765 6.259 -7.843 1.00 0.00 H new ATOM 0 HB3 TYR A 412 5.837 6.208 -9.329 1.00 0.00 H new ATOM 0 HD1 TYR A 412 7.684 8.003 -11.006 1.00 0.00 H new ATOM 0 HD2 TYR A 412 8.500 4.720 -8.414 1.00 0.00 H new ATOM 0 HE1 TYR A 412 9.731 7.513 -12.272 1.00 0.00 H new ATOM 0 HE2 TYR A 412 10.546 4.229 -9.678 1.00 0.00 H new ATOM 0 HH TYR A 412 11.857 4.791 -11.363 1.00 0.00 H new ATOM 91 N ARG A 413 4.006 7.809 -8.382 1.00 0.00 N ATOM 92 CA ARG A 413 2.714 7.922 -7.712 1.00 0.00 C ATOM 93 C ARG A 413 2.290 6.578 -7.132 1.00 0.00 C ATOM 94 O ARG A 413 2.079 5.613 -7.868 1.00 0.00 O ATOM 95 CB ARG A 413 1.653 8.425 -8.693 1.00 0.00 C ATOM 96 CG ARG A 413 0.837 9.594 -8.166 1.00 0.00 C ATOM 97 CD ARG A 413 0.375 10.502 -9.295 1.00 0.00 C ATOM 98 NE ARG A 413 -0.010 11.826 -8.814 1.00 0.00 N ATOM 99 CZ ARG A 413 0.843 12.698 -8.282 1.00 0.00 C ATOM 100 NH1 ARG A 413 2.131 12.393 -8.171 1.00 0.00 N ATOM 101 NH2 ARG A 413 0.410 13.880 -7.865 1.00 0.00 N ATOM 0 H ARG A 413 3.990 7.254 -9.238 1.00 0.00 H new ATOM 0 HA ARG A 413 2.812 8.637 -6.896 1.00 0.00 H new ATOM 0 HB2 ARG A 413 2.141 8.723 -9.621 1.00 0.00 H new ATOM 0 HB3 ARG A 413 0.979 7.604 -8.937 1.00 0.00 H new ATOM 0 HG2 ARG A 413 -0.029 9.219 -7.621 1.00 0.00 H new ATOM 0 HG3 ARG A 413 1.435 10.167 -7.458 1.00 0.00 H new ATOM 0 HD2 ARG A 413 1.174 10.602 -10.029 1.00 0.00 H new ATOM 0 HD3 ARG A 413 -0.471 10.042 -9.806 1.00 0.00 H new ATOM 0 HE ARG A 413 -0.990 12.098 -8.890 1.00 0.00 H new ATOM 0 HH11 ARG A 413 2.470 11.487 -8.494 1.00 0.00 H new ATOM 0 HH12 ARG A 413 2.781 13.065 -7.763 1.00 0.00 H new ATOM 0 HH21 ARG A 413 -0.577 14.121 -7.952 1.00 0.00 H new ATOM 0 HH22 ARG A 413 1.064 14.548 -7.457 1.00 0.00 H new ATOM 115 N TRP A 414 2.166 6.520 -5.810 1.00 0.00 N ATOM 116 CA TRP A 414 1.768 5.289 -5.138 1.00 0.00 C ATOM 117 C TRP A 414 0.470 5.478 -4.365 1.00 0.00 C ATOM 118 O TRP A 414 0.273 6.494 -3.698 1.00 0.00 O ATOM 119 CB TRP A 414 2.873 4.826 -4.190 1.00 0.00 C ATOM 120 CG TRP A 414 4.220 4.764 -4.839 1.00 0.00 C ATOM 121 CD1 TRP A 414 5.087 5.801 -5.030 1.00 0.00 C ATOM 122 CD2 TRP A 414 4.850 3.604 -5.388 1.00 0.00 C ATOM 123 NE1 TRP A 414 6.223 5.353 -5.661 1.00 0.00 N ATOM 124 CE2 TRP A 414 6.099 4.007 -5.893 1.00 0.00 C ATOM 125 CE3 TRP A 414 4.477 2.263 -5.499 1.00 0.00 C ATOM 126 CZ2 TRP A 414 6.979 3.115 -6.501 1.00 0.00 C ATOM 127 CZ3 TRP A 414 5.350 1.378 -6.104 1.00 0.00 C ATOM 128 CH2 TRP A 414 6.588 1.807 -6.597 1.00 0.00 C ATOM 0 H TRP A 414 2.335 7.308 -5.185 1.00 0.00 H new ATOM 0 HA TRP A 414 1.604 4.528 -5.901 1.00 0.00 H new ATOM 0 HB2 TRP A 414 2.919 5.504 -3.337 1.00 0.00 H new ATOM 0 HB3 TRP A 414 2.619 3.840 -3.800 1.00 0.00 H new ATOM 0 HD1 TRP A 414 4.907 6.823 -4.730 1.00 0.00 H new ATOM 0 HE1 TRP A 414 7.027 5.928 -5.915 1.00 0.00 H new ATOM 0 HE3 TRP A 414 3.525 1.924 -5.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 414 7.935 3.443 -6.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 414 5.072 0.339 -6.198 1.00 0.00 H new ATOM 0 HH2 TRP A 414 7.248 1.091 -7.063 1.00 0.00 H new ATOM 139 N ARG A 415 -0.412 4.489 -4.455 1.00 0.00 N ATOM 140 CA ARG A 415 -1.692 4.541 -3.762 1.00 0.00 C ATOM 141 C ARG A 415 -1.686 3.621 -2.546 1.00 0.00 C ATOM 142 O ARG A 415 -1.421 2.423 -2.663 1.00 0.00 O ATOM 143 CB ARG A 415 -2.829 4.149 -4.711 1.00 0.00 C ATOM 144 CG ARG A 415 -4.195 4.119 -4.045 1.00 0.00 C ATOM 145 CD ARG A 415 -5.289 3.741 -5.029 1.00 0.00 C ATOM 146 NE ARG A 415 -5.558 2.304 -5.025 1.00 0.00 N ATOM 147 CZ ARG A 415 -6.671 1.757 -5.511 1.00 0.00 C ATOM 148 NH1 ARG A 415 -7.618 2.523 -6.044 1.00 0.00 N ATOM 149 NH2 ARG A 415 -6.837 0.442 -5.467 1.00 0.00 N ATOM 0 H ARG A 415 -0.263 3.641 -5.002 1.00 0.00 H new ATOM 0 HA ARG A 415 -1.853 5.564 -3.422 1.00 0.00 H new ATOM 0 HB2 ARG A 415 -2.855 4.853 -5.543 1.00 0.00 H new ATOM 0 HB3 ARG A 415 -2.617 3.166 -5.131 1.00 0.00 H new ATOM 0 HG2 ARG A 415 -4.183 3.405 -3.221 1.00 0.00 H new ATOM 0 HG3 ARG A 415 -4.413 5.097 -3.616 1.00 0.00 H new ATOM 0 HD2 ARG A 415 -6.202 4.281 -4.780 1.00 0.00 H new ATOM 0 HD3 ARG A 415 -4.997 4.052 -6.032 1.00 0.00 H new ATOM 0 HE ARG A 415 -4.852 1.684 -4.627 1.00 0.00 H new ATOM 0 HH11 ARG A 415 -7.494 3.535 -6.082 1.00 0.00 H new ATOM 0 HH12 ARG A 415 -8.468 2.099 -6.415 1.00 0.00 H new ATOM 0 HH21 ARG A 415 -6.112 -0.150 -5.061 1.00 0.00 H new ATOM 0 HH22 ARG A 415 -7.689 0.023 -5.839 1.00 0.00 H new ATOM 163 N LYS A 416 -1.984 4.189 -1.382 1.00 0.00 N ATOM 164 CA LYS A 416 -2.019 3.420 -0.143 1.00 0.00 C ATOM 165 C LYS A 416 -3.220 2.478 -0.142 1.00 0.00 C ATOM 166 O LYS A 416 -4.338 2.886 -0.458 1.00 0.00 O ATOM 167 CB LYS A 416 -2.085 4.363 1.063 1.00 0.00 C ATOM 168 CG LYS A 416 -2.230 3.650 2.400 1.00 0.00 C ATOM 169 CD LYS A 416 -1.464 4.363 3.502 1.00 0.00 C ATOM 170 CE LYS A 416 -2.079 5.713 3.830 1.00 0.00 C ATOM 171 NZ LYS A 416 -2.903 5.663 5.068 1.00 0.00 N ATOM 0 H LYS A 416 -2.205 5.179 -1.271 1.00 0.00 H new ATOM 0 HA LYS A 416 -1.108 2.826 -0.073 1.00 0.00 H new ATOM 0 HB2 LYS A 416 -1.182 4.973 1.084 1.00 0.00 H new ATOM 0 HB3 LYS A 416 -2.926 5.044 0.933 1.00 0.00 H new ATOM 0 HG2 LYS A 416 -3.285 3.591 2.669 1.00 0.00 H new ATOM 0 HG3 LYS A 416 -1.867 2.626 2.308 1.00 0.00 H new ATOM 0 HD2 LYS A 416 -1.451 3.742 4.397 1.00 0.00 H new ATOM 0 HD3 LYS A 416 -0.427 4.500 3.195 1.00 0.00 H new ATOM 0 HE2 LYS A 416 -1.287 6.452 3.951 1.00 0.00 H new ATOM 0 HE3 LYS A 416 -2.698 6.042 2.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 416 -3.304 6.604 5.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 416 -3.674 4.976 4.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 416 -2.307 5.374 5.870 1.00 0.00 H new ATOM 185 N TYR A 417 -2.988 1.222 0.222 1.00 0.00 N ATOM 186 CA TYR A 417 -4.069 0.247 0.263 1.00 0.00 C ATOM 187 C TYR A 417 -3.741 -0.954 1.147 1.00 0.00 C ATOM 188 O TYR A 417 -2.668 -1.559 1.045 1.00 0.00 O ATOM 189 CB TYR A 417 -4.438 -0.211 -1.155 1.00 0.00 C ATOM 190 CG TYR A 417 -3.509 -1.251 -1.743 1.00 0.00 C ATOM 191 CD1 TYR A 417 -2.346 -0.877 -2.401 1.00 0.00 C ATOM 192 CD2 TYR A 417 -3.799 -2.606 -1.645 1.00 0.00 C ATOM 193 CE1 TYR A 417 -1.498 -1.822 -2.945 1.00 0.00 C ATOM 194 CE2 TYR A 417 -2.957 -3.558 -2.184 1.00 0.00 C ATOM 195 CZ TYR A 417 -1.807 -3.162 -2.833 1.00 0.00 C ATOM 196 OH TYR A 417 -0.965 -4.107 -3.372 1.00 0.00 O ATOM 0 H TYR A 417 -2.073 0.859 0.490 1.00 0.00 H new ATOM 0 HA TYR A 417 -4.929 0.745 0.710 1.00 0.00 H new ATOM 0 HB2 TYR A 417 -5.451 -0.614 -1.140 1.00 0.00 H new ATOM 0 HB3 TYR A 417 -4.451 0.659 -1.812 1.00 0.00 H new ATOM 0 HD1 TYR A 417 -2.100 0.171 -2.489 1.00 0.00 H new ATOM 0 HD2 TYR A 417 -4.699 -2.920 -1.138 1.00 0.00 H new ATOM 0 HE1 TYR A 417 -0.598 -1.513 -3.455 1.00 0.00 H new ATOM 0 HE2 TYR A 417 -3.198 -4.607 -2.098 1.00 0.00 H new ATOM 0 HH TYR A 417 -1.328 -5.002 -3.205 1.00 0.00 H new ATOM 206 N GLY A 418 -4.692 -1.279 2.016 1.00 0.00 N ATOM 207 CA GLY A 418 -4.541 -2.402 2.920 1.00 0.00 C ATOM 208 C GLY A 418 -3.732 -2.070 4.159 1.00 0.00 C ATOM 209 O GLY A 418 -3.122 -1.005 4.247 1.00 0.00 O ATOM 0 H GLY A 418 -5.575 -0.777 2.110 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -5.528 -2.752 3.222 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -4.060 -3.224 2.390 1.00 0.00 H new ATOM 213 N GLN A 419 -3.729 -2.995 5.118 1.00 0.00 N ATOM 214 CA GLN A 419 -2.995 -2.813 6.361 1.00 0.00 C ATOM 215 C GLN A 419 -3.016 -4.097 7.184 1.00 0.00 C ATOM 216 O GLN A 419 -4.009 -4.825 7.185 1.00 0.00 O ATOM 217 CB GLN A 419 -3.587 -1.655 7.168 1.00 0.00 C ATOM 218 CG GLN A 419 -2.563 -0.600 7.552 1.00 0.00 C ATOM 219 CD GLN A 419 -2.400 -0.462 9.055 1.00 0.00 C ATOM 220 OE1 GLN A 419 -2.121 -1.437 9.752 1.00 0.00 O ATOM 221 NE2 GLN A 419 -2.574 0.753 9.560 1.00 0.00 N ATOM 0 H GLN A 419 -4.231 -3.881 5.053 1.00 0.00 H new ATOM 0 HA GLN A 419 -1.960 -2.572 6.118 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -4.381 -1.185 6.587 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -4.047 -2.051 8.074 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -1.601 -0.855 7.108 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -2.863 0.361 7.133 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -2.804 1.533 8.944 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -2.477 0.907 10.564 1.00 0.00 H new ATOM 230 N LYS A 420 -1.919 -4.371 7.874 1.00 0.00 N ATOM 231 CA LYS A 420 -1.818 -5.573 8.691 1.00 0.00 C ATOM 232 C LYS A 420 -0.624 -5.496 9.635 1.00 0.00 C ATOM 233 O LYS A 420 0.371 -4.837 9.339 1.00 0.00 O ATOM 234 CB LYS A 420 -1.696 -6.808 7.793 1.00 0.00 C ATOM 235 CG LYS A 420 -2.963 -7.648 7.735 1.00 0.00 C ATOM 236 CD LYS A 420 -2.672 -9.063 7.262 1.00 0.00 C ATOM 237 CE LYS A 420 -3.111 -9.272 5.821 1.00 0.00 C ATOM 238 NZ LYS A 420 -2.157 -10.134 5.069 1.00 0.00 N ATOM 0 H LYS A 420 -1.088 -3.780 7.885 1.00 0.00 H new ATOM 0 HA LYS A 420 -2.723 -5.652 9.293 1.00 0.00 H new ATOM 0 HB2 LYS A 420 -1.436 -6.489 6.784 1.00 0.00 H new ATOM 0 HB3 LYS A 420 -0.875 -7.428 8.153 1.00 0.00 H new ATOM 0 HG2 LYS A 420 -3.425 -7.681 8.722 1.00 0.00 H new ATOM 0 HG3 LYS A 420 -3.681 -7.179 7.063 1.00 0.00 H new ATOM 0 HD2 LYS A 420 -1.605 -9.265 7.351 1.00 0.00 H new ATOM 0 HD3 LYS A 420 -3.186 -9.776 7.907 1.00 0.00 H new ATOM 0 HE2 LYS A 420 -4.101 -9.727 5.806 1.00 0.00 H new ATOM 0 HE3 LYS A 420 -3.197 -8.306 5.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 -2.492 -10.252 4.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 -1.218 -9.688 5.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 -2.094 -11.065 5.528 1.00 0.00 H new ATOM 252 N VAL A 421 -0.729 -6.180 10.767 1.00 0.00 N ATOM 253 CA VAL A 421 0.346 -6.199 11.750 1.00 0.00 C ATOM 254 C VAL A 421 0.972 -7.587 11.830 1.00 0.00 C ATOM 255 O VAL A 421 0.300 -8.594 11.607 1.00 0.00 O ATOM 256 CB VAL A 421 -0.158 -5.788 13.149 1.00 0.00 C ATOM 257 CG1 VAL A 421 -1.225 -6.755 13.644 1.00 0.00 C ATOM 258 CG2 VAL A 421 1.000 -5.710 14.133 1.00 0.00 C ATOM 0 H VAL A 421 -1.548 -6.729 11.027 1.00 0.00 H new ATOM 0 HA VAL A 421 1.095 -5.477 11.424 1.00 0.00 H new ATOM 0 HB VAL A 421 -0.608 -4.798 13.073 1.00 0.00 H new ATOM 0 HG11 VAL A 421 -1.566 -6.446 14.632 1.00 0.00 H new ATOM 0 HG12 VAL A 421 -2.067 -6.753 12.952 1.00 0.00 H new ATOM 0 HG13 VAL A 421 -0.807 -7.760 13.702 1.00 0.00 H new ATOM 0 HG21 VAL A 421 0.625 -5.419 15.114 1.00 0.00 H new ATOM 0 HG22 VAL A 421 1.483 -6.684 14.204 1.00 0.00 H new ATOM 0 HG23 VAL A 421 1.722 -4.971 13.787 1.00 0.00 H new ATOM 268 N VAL A 422 2.260 -7.637 12.148 1.00 0.00 N ATOM 269 CA VAL A 422 2.966 -8.908 12.255 1.00 0.00 C ATOM 270 C VAL A 422 3.535 -9.104 13.654 1.00 0.00 C ATOM 271 O VAL A 422 3.992 -8.136 14.290 1.00 0.00 O ATOM 272 CB VAL A 422 4.111 -9.016 11.229 1.00 0.00 C ATOM 273 CG1 VAL A 422 3.580 -9.481 9.881 1.00 0.00 C ATOM 274 CG2 VAL A 422 4.845 -7.690 11.092 1.00 0.00 C ATOM 0 H VAL A 422 2.835 -6.816 12.336 1.00 0.00 H new ATOM 0 HA VAL A 422 2.233 -9.688 12.047 1.00 0.00 H new ATOM 0 HB VAL A 422 4.822 -9.758 11.591 1.00 0.00 H new ATOM 0 HG11 VAL A 422 4.403 -9.551 9.170 1.00 0.00 H new ATOM 0 HG12 VAL A 422 3.112 -10.459 9.992 1.00 0.00 H new ATOM 0 HG13 VAL A 422 2.844 -8.766 9.514 1.00 0.00 H new ATOM 0 HG21 VAL A 422 5.648 -7.792 10.362 1.00 0.00 H new ATOM 0 HG22 VAL A 422 4.148 -6.921 10.759 1.00 0.00 H new ATOM 0 HG23 VAL A 422 5.265 -7.405 12.057 1.00 0.00 H new ATOM 284 N LYS A 423 3.503 -10.367 14.113 1.00 0.00 N ATOM 285 CA LYS A 423 4.009 -10.744 15.430 1.00 0.00 C ATOM 286 C LYS A 423 5.447 -11.249 15.329 1.00 0.00 C ATOM 287 O LYS A 423 5.795 -12.003 14.421 1.00 0.00 O ATOM 288 CB LYS A 423 3.116 -11.819 16.055 1.00 0.00 C ATOM 289 CG LYS A 423 2.423 -11.365 17.329 1.00 0.00 C ATOM 290 CD LYS A 423 1.035 -10.816 17.042 1.00 0.00 C ATOM 291 CE LYS A 423 -0.040 -11.855 17.313 1.00 0.00 C ATOM 292 NZ LYS A 423 -1.404 -11.332 17.019 1.00 0.00 N ATOM 0 H LYS A 423 3.125 -11.148 13.577 1.00 0.00 H new ATOM 0 HA LYS A 423 3.996 -9.861 16.068 1.00 0.00 H new ATOM 0 HB2 LYS A 423 2.362 -12.121 15.328 1.00 0.00 H new ATOM 0 HB3 LYS A 423 3.720 -12.700 16.273 1.00 0.00 H new ATOM 0 HG2 LYS A 423 2.348 -12.203 18.022 1.00 0.00 H new ATOM 0 HG3 LYS A 423 3.024 -10.599 17.819 1.00 0.00 H new ATOM 0 HD2 LYS A 423 0.856 -9.936 17.659 1.00 0.00 H new ATOM 0 HD3 LYS A 423 0.978 -10.494 16.002 1.00 0.00 H new ATOM 0 HE2 LYS A 423 0.149 -12.740 16.705 1.00 0.00 H new ATOM 0 HE3 LYS A 423 0.012 -12.168 18.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -2.109 -12.071 17.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -1.594 -10.503 17.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -1.462 -11.057 16.018 1.00 0.00 H new ATOM 306 N GLY A 424 6.283 -10.753 16.225 1.00 0.00 N ATOM 307 CA GLY A 424 7.701 -11.074 16.198 1.00 0.00 C ATOM 308 C GLY A 424 8.458 -9.864 15.695 1.00 0.00 C ATOM 309 O GLY A 424 9.681 -9.766 15.788 1.00 0.00 O ATOM 0 H GLY A 424 6.005 -10.126 16.980 1.00 0.00 H new ATOM 0 HA2 GLY A 424 8.046 -11.349 17.195 1.00 0.00 H new ATOM 0 HA3 GLY A 424 7.883 -11.931 15.550 1.00 0.00 H new ATOM 313 N ASN A 425 7.662 -8.926 15.192 1.00 0.00 N ATOM 314 CA ASN A 425 8.106 -7.649 14.679 1.00 0.00 C ATOM 315 C ASN A 425 6.913 -6.705 14.798 1.00 0.00 C ATOM 316 O ASN A 425 6.513 -6.063 13.828 1.00 0.00 O ATOM 317 CB ASN A 425 8.557 -7.775 13.220 1.00 0.00 C ATOM 318 CG ASN A 425 9.012 -6.453 12.636 1.00 0.00 C ATOM 319 OD1 ASN A 425 10.131 -6.006 12.882 1.00 0.00 O ATOM 320 ND2 ASN A 425 8.144 -5.822 11.852 1.00 0.00 N ATOM 0 H ASN A 425 6.651 -9.046 15.131 1.00 0.00 H new ATOM 0 HA ASN A 425 8.963 -7.275 15.239 1.00 0.00 H new ATOM 0 HB2 ASN A 425 9.372 -8.496 13.156 1.00 0.00 H new ATOM 0 HB3 ASN A 425 7.735 -8.169 12.622 1.00 0.00 H new ATOM 0 HD21 ASN A 425 8.396 -4.930 11.427 1.00 0.00 H new ATOM 0 HD22 ASN A 425 7.226 -6.230 11.675 1.00 0.00 H new ATOM 327 N PRO A 426 6.309 -6.656 16.012 1.00 0.00 N ATOM 328 CA PRO A 426 5.129 -5.847 16.321 1.00 0.00 C ATOM 329 C PRO A 426 5.046 -4.556 15.540 1.00 0.00 C ATOM 330 O PRO A 426 5.350 -3.489 16.074 1.00 0.00 O ATOM 331 CB PRO A 426 5.335 -5.548 17.796 1.00 0.00 C ATOM 332 CG PRO A 426 5.970 -6.780 18.343 1.00 0.00 C ATOM 333 CD PRO A 426 6.731 -7.420 17.205 1.00 0.00 C ATOM 0 HA PRO A 426 4.205 -6.366 16.068 1.00 0.00 H new ATOM 0 HB2 PRO A 426 5.973 -4.676 17.939 1.00 0.00 H new ATOM 0 HB3 PRO A 426 4.389 -5.335 18.293 1.00 0.00 H new ATOM 0 HG2 PRO A 426 6.640 -6.536 19.168 1.00 0.00 H new ATOM 0 HG3 PRO A 426 5.216 -7.462 18.736 1.00 0.00 H new ATOM 0 HD2 PRO A 426 7.808 -7.355 17.359 1.00 0.00 H new ATOM 0 HD3 PRO A 426 6.487 -8.478 17.108 1.00 0.00 H new ATOM 341 N TYR A 427 4.627 -4.631 14.283 1.00 0.00 N ATOM 342 CA TYR A 427 4.531 -3.416 13.479 1.00 0.00 C ATOM 343 C TYR A 427 3.540 -3.574 12.326 1.00 0.00 C ATOM 344 O TYR A 427 3.515 -4.605 11.654 1.00 0.00 O ATOM 345 CB TYR A 427 5.915 -3.040 12.936 1.00 0.00 C ATOM 346 CG TYR A 427 6.835 -2.423 13.973 1.00 0.00 C ATOM 347 CD1 TYR A 427 7.523 -3.216 14.890 1.00 0.00 C ATOM 348 CD2 TYR A 427 7.020 -1.048 14.033 1.00 0.00 C ATOM 349 CE1 TYR A 427 8.361 -2.654 15.831 1.00 0.00 C ATOM 350 CE2 TYR A 427 7.859 -0.480 14.974 1.00 0.00 C ATOM 351 CZ TYR A 427 8.527 -1.286 15.870 1.00 0.00 C ATOM 352 OH TYR A 427 9.361 -0.725 16.808 1.00 0.00 O ATOM 0 H TYR A 427 4.355 -5.492 13.808 1.00 0.00 H new ATOM 0 HA TYR A 427 4.161 -2.618 14.123 1.00 0.00 H new ATOM 0 HB2 TYR A 427 6.390 -3.933 12.529 1.00 0.00 H new ATOM 0 HB3 TYR A 427 5.792 -2.339 12.110 1.00 0.00 H new ATOM 0 HD1 TYR A 427 7.398 -4.288 14.863 1.00 0.00 H new ATOM 0 HD2 TYR A 427 6.500 -0.411 13.333 1.00 0.00 H new ATOM 0 HE1 TYR A 427 8.885 -3.284 16.535 1.00 0.00 H new ATOM 0 HE2 TYR A 427 7.990 0.591 15.007 1.00 0.00 H new ATOM 0 HH TYR A 427 10.080 -1.354 17.024 1.00 0.00 H new ATOM 362 N PRO A 428 2.709 -2.542 12.080 1.00 0.00 N ATOM 363 CA PRO A 428 1.716 -2.559 11.007 1.00 0.00 C ATOM 364 C PRO A 428 2.317 -2.173 9.657 1.00 0.00 C ATOM 365 O PRO A 428 3.005 -1.159 9.540 1.00 0.00 O ATOM 366 CB PRO A 428 0.711 -1.508 11.464 1.00 0.00 C ATOM 367 CG PRO A 428 1.531 -0.509 12.206 1.00 0.00 C ATOM 368 CD PRO A 428 2.672 -1.270 12.834 1.00 0.00 C ATOM 0 HA PRO A 428 1.287 -3.549 10.852 1.00 0.00 H new ATOM 0 HB2 PRO A 428 0.200 -1.052 10.616 1.00 0.00 H new ATOM 0 HB3 PRO A 428 -0.057 -1.944 12.102 1.00 0.00 H new ATOM 0 HG2 PRO A 428 1.904 0.263 11.533 1.00 0.00 H new ATOM 0 HG3 PRO A 428 0.934 -0.007 12.968 1.00 0.00 H new ATOM 0 HD2 PRO A 428 3.612 -0.726 12.745 1.00 0.00 H new ATOM 0 HD3 PRO A 428 2.501 -1.440 13.897 1.00 0.00 H new ATOM 376 N ARG A 429 2.061 -2.994 8.644 1.00 0.00 N ATOM 377 CA ARG A 429 2.588 -2.744 7.305 1.00 0.00 C ATOM 378 C ARG A 429 1.539 -2.106 6.394 1.00 0.00 C ATOM 379 O ARG A 429 0.359 -2.037 6.735 1.00 0.00 O ATOM 380 CB ARG A 429 3.097 -4.049 6.684 1.00 0.00 C ATOM 381 CG ARG A 429 2.180 -5.240 6.920 1.00 0.00 C ATOM 382 CD ARG A 429 2.713 -6.502 6.255 1.00 0.00 C ATOM 383 NE ARG A 429 4.077 -6.809 6.682 1.00 0.00 N ATOM 384 CZ ARG A 429 4.526 -8.041 6.928 1.00 0.00 C ATOM 385 NH1 ARG A 429 3.734 -9.094 6.767 1.00 0.00 N ATOM 386 NH2 ARG A 429 5.778 -8.220 7.329 1.00 0.00 N ATOM 0 H ARG A 429 1.493 -3.837 8.723 1.00 0.00 H new ATOM 0 HA ARG A 429 3.416 -2.042 7.403 1.00 0.00 H new ATOM 0 HB2 ARG A 429 3.222 -3.905 5.611 1.00 0.00 H new ATOM 0 HB3 ARG A 429 4.082 -4.275 7.092 1.00 0.00 H new ATOM 0 HG2 ARG A 429 2.073 -5.410 7.991 1.00 0.00 H new ATOM 0 HG3 ARG A 429 1.186 -5.016 6.532 1.00 0.00 H new ATOM 0 HD2 ARG A 429 2.060 -7.342 6.494 1.00 0.00 H new ATOM 0 HD3 ARG A 429 2.691 -6.379 5.172 1.00 0.00 H new ATOM 0 HE ARG A 429 4.727 -6.032 6.799 1.00 0.00 H new ATOM 0 HH11 ARG A 429 2.772 -8.965 6.452 1.00 0.00 H new ATOM 0 HH12 ARG A 429 4.087 -10.032 6.958 1.00 0.00 H new ATOM 0 HH21 ARG A 429 6.395 -7.417 7.449 1.00 0.00 H new ATOM 0 HH22 ARG A 429 6.123 -9.161 7.518 1.00 0.00 H new ATOM 400 N SER A 430 1.991 -1.643 5.229 1.00 0.00 N ATOM 401 CA SER A 430 1.115 -1.010 4.247 1.00 0.00 C ATOM 402 C SER A 430 1.543 -1.400 2.834 1.00 0.00 C ATOM 403 O SER A 430 2.723 -1.647 2.590 1.00 0.00 O ATOM 404 CB SER A 430 1.156 0.513 4.403 1.00 0.00 C ATOM 405 OG SER A 430 1.052 0.887 5.765 1.00 0.00 O ATOM 0 H SER A 430 2.968 -1.696 4.942 1.00 0.00 H new ATOM 0 HA SER A 430 0.095 -1.354 4.417 1.00 0.00 H new ATOM 0 HB2 SER A 430 2.086 0.900 3.986 1.00 0.00 H new ATOM 0 HB3 SER A 430 0.341 0.962 3.836 1.00 0.00 H new ATOM 0 HG SER A 430 1.082 1.864 5.839 1.00 0.00 H new ATOM 411 N TYR A 431 0.590 -1.475 1.907 1.00 0.00 N ATOM 412 CA TYR A 431 0.910 -1.860 0.536 1.00 0.00 C ATOM 413 C TYR A 431 0.735 -0.699 -0.440 1.00 0.00 C ATOM 414 O TYR A 431 -0.385 -0.303 -0.752 1.00 0.00 O ATOM 415 CB TYR A 431 0.037 -3.042 0.110 1.00 0.00 C ATOM 416 CG TYR A 431 0.170 -4.243 1.018 1.00 0.00 C ATOM 417 CD1 TYR A 431 -0.240 -4.186 2.346 1.00 0.00 C ATOM 418 CD2 TYR A 431 0.712 -5.433 0.550 1.00 0.00 C ATOM 419 CE1 TYR A 431 -0.114 -5.280 3.179 1.00 0.00 C ATOM 420 CE2 TYR A 431 0.843 -6.533 1.379 1.00 0.00 C ATOM 421 CZ TYR A 431 0.429 -6.450 2.692 1.00 0.00 C ATOM 422 OH TYR A 431 0.561 -7.539 3.520 1.00 0.00 O ATOM 0 H TYR A 431 -0.396 -1.277 2.077 1.00 0.00 H new ATOM 0 HA TYR A 431 1.960 -2.152 0.511 1.00 0.00 H new ATOM 0 HB2 TYR A 431 -1.006 -2.725 0.089 1.00 0.00 H new ATOM 0 HB3 TYR A 431 0.302 -3.333 -0.906 1.00 0.00 H new ATOM 0 HD1 TYR A 431 -0.664 -3.271 2.732 1.00 0.00 H new ATOM 0 HD2 TYR A 431 1.037 -5.501 -0.478 1.00 0.00 H new ATOM 0 HE1 TYR A 431 -0.439 -5.219 4.207 1.00 0.00 H new ATOM 0 HE2 TYR A 431 1.267 -7.451 1.000 1.00 0.00 H new ATOM 0 HH TYR A 431 0.960 -8.282 3.022 1.00 0.00 H new ATOM 432 N TYR A 432 1.855 -0.162 -0.923 1.00 0.00 N ATOM 433 CA TYR A 432 1.834 0.947 -1.874 1.00 0.00 C ATOM 434 C TYR A 432 2.091 0.438 -3.290 1.00 0.00 C ATOM 435 O TYR A 432 3.163 -0.091 -3.576 1.00 0.00 O ATOM 436 CB TYR A 432 2.904 1.980 -1.507 1.00 0.00 C ATOM 437 CG TYR A 432 2.477 2.960 -0.440 1.00 0.00 C ATOM 438 CD1 TYR A 432 1.577 3.977 -0.725 1.00 0.00 C ATOM 439 CD2 TYR A 432 2.982 2.871 0.851 1.00 0.00 C ATOM 440 CE1 TYR A 432 1.190 4.880 0.249 1.00 0.00 C ATOM 441 CE2 TYR A 432 2.599 3.767 1.830 1.00 0.00 C ATOM 442 CZ TYR A 432 1.704 4.770 1.523 1.00 0.00 C ATOM 443 OH TYR A 432 1.322 5.666 2.497 1.00 0.00 O ATOM 0 H TYR A 432 2.791 -0.479 -0.670 1.00 0.00 H new ATOM 0 HA TYR A 432 0.850 1.414 -1.833 1.00 0.00 H new ATOM 0 HB2 TYR A 432 3.797 1.456 -1.167 1.00 0.00 H new ATOM 0 HB3 TYR A 432 3.181 2.534 -2.404 1.00 0.00 H new ATOM 0 HD1 TYR A 432 1.172 4.065 -1.722 1.00 0.00 H new ATOM 0 HD2 TYR A 432 3.686 2.088 1.093 1.00 0.00 H new ATOM 0 HE1 TYR A 432 0.489 5.667 0.012 1.00 0.00 H new ATOM 0 HE2 TYR A 432 2.998 3.682 2.830 1.00 0.00 H new ATOM 0 HH TYR A 432 1.775 5.448 3.338 1.00 0.00 H new ATOM 453 N LYS A 433 1.110 0.596 -4.177 1.00 0.00 N ATOM 454 CA LYS A 433 1.262 0.137 -5.557 1.00 0.00 C ATOM 455 C LYS A 433 1.320 1.309 -6.535 1.00 0.00 C ATOM 456 O LYS A 433 0.378 2.094 -6.639 1.00 0.00 O ATOM 457 CB LYS A 433 0.117 -0.806 -5.939 1.00 0.00 C ATOM 458 CG LYS A 433 -1.264 -0.185 -5.810 1.00 0.00 C ATOM 459 CD LYS A 433 -2.349 -1.249 -5.797 1.00 0.00 C ATOM 460 CE LYS A 433 -2.851 -1.550 -7.200 1.00 0.00 C ATOM 461 NZ LYS A 433 -3.437 -2.915 -7.298 1.00 0.00 N ATOM 0 H LYS A 433 0.212 1.033 -3.969 1.00 0.00 H new ATOM 0 HA LYS A 433 2.206 -0.403 -5.620 1.00 0.00 H new ATOM 0 HB2 LYS A 433 0.261 -1.137 -6.967 1.00 0.00 H new ATOM 0 HB3 LYS A 433 0.165 -1.694 -5.308 1.00 0.00 H new ATOM 0 HG2 LYS A 433 -1.317 0.402 -4.893 1.00 0.00 H new ATOM 0 HG3 LYS A 433 -1.435 0.502 -6.639 1.00 0.00 H new ATOM 0 HD2 LYS A 433 -1.960 -2.161 -5.345 1.00 0.00 H new ATOM 0 HD3 LYS A 433 -3.180 -0.915 -5.176 1.00 0.00 H new ATOM 0 HE2 LYS A 433 -3.601 -0.812 -7.484 1.00 0.00 H new ATOM 0 HE3 LYS A 433 -2.028 -1.456 -7.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 -3.768 -3.082 -8.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 -2.714 -3.621 -7.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 -4.239 -2.997 -6.641 1.00 0.00 H new ATOM 475 N CYS A 434 2.437 1.415 -7.251 1.00 0.00 N ATOM 476 CA CYS A 434 2.632 2.484 -8.226 1.00 0.00 C ATOM 477 C CYS A 434 1.703 2.305 -9.423 1.00 0.00 C ATOM 478 O CYS A 434 1.746 1.284 -10.110 1.00 0.00 O ATOM 479 CB CYS A 434 4.095 2.522 -8.691 1.00 0.00 C ATOM 480 SG CYS A 434 4.391 3.497 -10.191 1.00 0.00 S ATOM 0 H CYS A 434 3.224 0.770 -7.173 1.00 0.00 H new ATOM 0 HA CYS A 434 2.390 3.431 -7.744 1.00 0.00 H new ATOM 0 HB2 CYS A 434 4.707 2.926 -7.885 1.00 0.00 H new ATOM 0 HB3 CYS A 434 4.433 1.500 -8.866 1.00 0.00 H new ATOM 0 HG CYS A 434 5.303 2.917 -10.913 1.00 0.00 H new ATOM 485 N THR A 435 0.873 3.310 -9.668 1.00 0.00 N ATOM 486 CA THR A 435 -0.058 3.273 -10.783 1.00 0.00 C ATOM 487 C THR A 435 0.398 4.202 -11.896 1.00 0.00 C ATOM 488 O THR A 435 1.199 5.109 -11.672 1.00 0.00 O ATOM 489 CB THR A 435 -1.478 3.680 -10.344 1.00 0.00 C ATOM 490 OG1 THR A 435 -1.494 5.059 -9.953 1.00 0.00 O ATOM 491 CG2 THR A 435 -1.956 2.814 -9.190 1.00 0.00 C ATOM 0 H THR A 435 0.827 4.161 -9.108 1.00 0.00 H new ATOM 0 HA THR A 435 -0.080 2.246 -11.148 1.00 0.00 H new ATOM 0 HB THR A 435 -2.152 3.535 -11.189 1.00 0.00 H new ATOM 0 HG1 THR A 435 -2.400 5.310 -9.677 1.00 0.00 H new ATOM 0 HG21 THR A 435 -2.960 3.120 -8.897 1.00 0.00 H new ATOM 0 HG22 THR A 435 -1.971 1.769 -9.501 1.00 0.00 H new ATOM 0 HG23 THR A 435 -1.280 2.931 -8.343 1.00 0.00 H new ATOM 499 N THR A 436 -0.137 3.990 -13.088 1.00 0.00 N ATOM 500 CA THR A 436 0.177 4.813 -14.248 1.00 0.00 C ATOM 501 C THR A 436 -0.691 4.361 -15.418 1.00 0.00 C ATOM 502 O THR A 436 -1.235 3.257 -15.387 1.00 0.00 O ATOM 503 CB THR A 436 1.669 4.726 -14.632 1.00 0.00 C ATOM 504 OG1 THR A 436 2.373 3.903 -13.690 1.00 0.00 O ATOM 505 CG2 THR A 436 2.301 6.112 -14.674 1.00 0.00 C ATOM 0 H THR A 436 -0.803 3.241 -13.280 1.00 0.00 H new ATOM 0 HA THR A 436 -0.030 5.854 -13.999 1.00 0.00 H new ATOM 0 HB THR A 436 1.739 4.282 -15.625 1.00 0.00 H new ATOM 0 HG1 THR A 436 1.971 3.010 -13.671 1.00 0.00 H new ATOM 0 HG21 THR A 436 3.353 6.024 -14.947 1.00 0.00 H new ATOM 0 HG22 THR A 436 1.784 6.725 -15.412 1.00 0.00 H new ATOM 0 HG23 THR A 436 2.219 6.579 -13.693 1.00 0.00 H new ATOM 513 N PRO A 437 -0.858 5.186 -16.465 1.00 0.00 N ATOM 514 CA PRO A 437 -1.689 4.805 -17.606 1.00 0.00 C ATOM 515 C PRO A 437 -1.323 3.419 -18.128 1.00 0.00 C ATOM 516 O PRO A 437 -2.193 2.571 -18.325 1.00 0.00 O ATOM 517 CB PRO A 437 -1.427 5.906 -18.644 1.00 0.00 C ATOM 518 CG PRO A 437 -0.947 7.077 -17.852 1.00 0.00 C ATOM 519 CD PRO A 437 -0.269 6.527 -16.620 1.00 0.00 C ATOM 0 HA PRO A 437 -2.746 4.730 -17.349 1.00 0.00 H new ATOM 0 HB2 PRO A 437 -0.681 5.591 -19.374 1.00 0.00 H new ATOM 0 HB3 PRO A 437 -2.333 6.149 -19.199 1.00 0.00 H new ATOM 0 HG2 PRO A 437 -0.253 7.680 -18.437 1.00 0.00 H new ATOM 0 HG3 PRO A 437 -1.780 7.725 -17.578 1.00 0.00 H new ATOM 0 HD2 PRO A 437 0.812 6.477 -16.747 1.00 0.00 H new ATOM 0 HD3 PRO A 437 -0.459 7.151 -15.747 1.00 0.00 H new ATOM 527 N GLY A 438 -0.034 3.197 -18.353 1.00 0.00 N ATOM 528 CA GLY A 438 0.419 1.913 -18.854 1.00 0.00 C ATOM 529 C GLY A 438 1.433 1.248 -17.946 1.00 0.00 C ATOM 530 O GLY A 438 2.279 0.485 -18.415 1.00 0.00 O ATOM 0 H GLY A 438 0.705 3.882 -18.198 1.00 0.00 H new ATOM 0 HA2 GLY A 438 -0.440 1.253 -18.975 1.00 0.00 H new ATOM 0 HA3 GLY A 438 0.858 2.049 -19.842 1.00 0.00 H new ATOM 534 N CYS A 439 1.364 1.530 -16.646 1.00 0.00 N ATOM 535 CA CYS A 439 2.306 0.938 -15.703 1.00 0.00 C ATOM 536 C CYS A 439 1.647 0.580 -14.370 1.00 0.00 C ATOM 537 O CYS A 439 0.766 1.290 -13.865 1.00 0.00 O ATOM 538 CB CYS A 439 3.495 1.878 -15.475 1.00 0.00 C ATOM 539 SG CYS A 439 4.526 1.468 -14.040 1.00 0.00 S ATOM 0 H CYS A 439 0.676 2.156 -16.228 1.00 0.00 H new ATOM 0 HA CYS A 439 2.663 0.008 -16.146 1.00 0.00 H new ATOM 0 HB2 CYS A 439 4.121 1.872 -16.367 1.00 0.00 H new ATOM 0 HB3 CYS A 439 3.119 2.894 -15.356 1.00 0.00 H new ATOM 0 HG CYS A 439 4.225 2.255 -13.050 1.00 0.00 H new ATOM 544 N GLY A 440 2.116 -0.536 -13.816 1.00 0.00 N ATOM 545 CA GLY A 440 1.625 -1.031 -12.546 1.00 0.00 C ATOM 546 C GLY A 440 2.704 -1.754 -11.763 1.00 0.00 C ATOM 547 O GLY A 440 3.120 -2.853 -12.132 1.00 0.00 O ATOM 0 H GLY A 440 2.843 -1.115 -14.237 1.00 0.00 H new ATOM 0 HA2 GLY A 440 1.244 -0.198 -11.955 1.00 0.00 H new ATOM 0 HA3 GLY A 440 0.788 -1.707 -12.720 1.00 0.00 H new ATOM 551 N VAL A 441 3.163 -1.136 -10.680 1.00 0.00 N ATOM 552 CA VAL A 441 4.204 -1.724 -9.844 1.00 0.00 C ATOM 553 C VAL A 441 3.776 -1.737 -8.379 1.00 0.00 C ATOM 554 O VAL A 441 2.899 -0.976 -7.976 1.00 0.00 O ATOM 555 CB VAL A 441 5.536 -0.955 -10.000 1.00 0.00 C ATOM 556 CG1 VAL A 441 6.509 -1.278 -8.874 1.00 0.00 C ATOM 557 CG2 VAL A 441 6.163 -1.267 -11.348 1.00 0.00 C ATOM 0 H VAL A 441 2.830 -0.227 -10.360 1.00 0.00 H new ATOM 0 HA VAL A 441 4.357 -2.752 -10.173 1.00 0.00 H new ATOM 0 HB VAL A 441 5.315 0.111 -9.945 1.00 0.00 H new ATOM 0 HG11 VAL A 441 7.433 -0.718 -9.020 1.00 0.00 H new ATOM 0 HG12 VAL A 441 6.064 -1.002 -7.918 1.00 0.00 H new ATOM 0 HG13 VAL A 441 6.728 -2.346 -8.877 1.00 0.00 H new ATOM 0 HG21 VAL A 441 7.101 -0.721 -11.448 1.00 0.00 H new ATOM 0 HG22 VAL A 441 6.357 -2.337 -11.420 1.00 0.00 H new ATOM 0 HG23 VAL A 441 5.482 -0.967 -12.144 1.00 0.00 H new ATOM 567 N ARG A 442 4.388 -2.614 -7.590 1.00 0.00 N ATOM 568 CA ARG A 442 4.051 -2.724 -6.175 1.00 0.00 C ATOM 569 C ARG A 442 5.245 -2.388 -5.284 1.00 0.00 C ATOM 570 O ARG A 442 6.390 -2.699 -5.609 1.00 0.00 O ATOM 571 CB ARG A 442 3.548 -4.136 -5.862 1.00 0.00 C ATOM 572 CG ARG A 442 2.037 -4.227 -5.730 1.00 0.00 C ATOM 573 CD ARG A 442 1.629 -5.236 -4.667 1.00 0.00 C ATOM 574 NE ARG A 442 0.665 -6.208 -5.178 1.00 0.00 N ATOM 575 CZ ARG A 442 0.858 -7.527 -5.172 1.00 0.00 C ATOM 576 NH1 ARG A 442 1.975 -8.050 -4.677 1.00 0.00 N ATOM 577 NH2 ARG A 442 -0.077 -8.331 -5.663 1.00 0.00 N ATOM 0 H ARG A 442 5.116 -3.256 -7.904 1.00 0.00 H new ATOM 0 HA ARG A 442 3.262 -2.002 -5.965 1.00 0.00 H new ATOM 0 HB2 ARG A 442 3.877 -4.813 -6.650 1.00 0.00 H new ATOM 0 HB3 ARG A 442 4.007 -4.479 -4.935 1.00 0.00 H new ATOM 0 HG2 ARG A 442 1.633 -3.247 -5.476 1.00 0.00 H new ATOM 0 HG3 ARG A 442 1.604 -4.512 -6.689 1.00 0.00 H new ATOM 0 HD2 ARG A 442 2.514 -5.759 -4.304 1.00 0.00 H new ATOM 0 HD3 ARG A 442 1.198 -4.711 -3.815 1.00 0.00 H new ATOM 0 HE ARG A 442 -0.211 -5.855 -5.564 1.00 0.00 H new ATOM 0 HH11 ARG A 442 2.698 -7.440 -4.295 1.00 0.00 H new ATOM 0 HH12 ARG A 442 2.109 -9.061 -4.679 1.00 0.00 H new ATOM 0 HH21 ARG A 442 -0.939 -7.939 -6.043 1.00 0.00 H new ATOM 0 HH22 ARG A 442 0.066 -9.341 -5.661 1.00 0.00 H new ATOM 591 N LYS A 443 4.953 -1.758 -4.152 1.00 0.00 N ATOM 592 CA LYS A 443 5.976 -1.377 -3.185 1.00 0.00 C ATOM 593 C LYS A 443 5.504 -1.717 -1.775 1.00 0.00 C ATOM 594 O LYS A 443 4.336 -1.524 -1.439 1.00 0.00 O ATOM 595 CB LYS A 443 6.289 0.121 -3.298 1.00 0.00 C ATOM 596 CG LYS A 443 7.091 0.678 -2.130 1.00 0.00 C ATOM 597 CD LYS A 443 7.614 2.075 -2.429 1.00 0.00 C ATOM 598 CE LYS A 443 6.538 3.128 -2.222 1.00 0.00 C ATOM 599 NZ LYS A 443 7.055 4.504 -2.464 1.00 0.00 N ATOM 0 H LYS A 443 4.005 -1.498 -3.879 1.00 0.00 H new ATOM 0 HA LYS A 443 6.889 -1.934 -3.397 1.00 0.00 H new ATOM 0 HB2 LYS A 443 6.841 0.297 -4.221 1.00 0.00 H new ATOM 0 HB3 LYS A 443 5.352 0.672 -3.377 1.00 0.00 H new ATOM 0 HG2 LYS A 443 6.465 0.706 -1.238 1.00 0.00 H new ATOM 0 HG3 LYS A 443 7.928 0.014 -1.912 1.00 0.00 H new ATOM 0 HD2 LYS A 443 8.466 2.292 -1.784 1.00 0.00 H new ATOM 0 HD3 LYS A 443 7.974 2.118 -3.457 1.00 0.00 H new ATOM 0 HE2 LYS A 443 5.703 2.931 -2.894 1.00 0.00 H new ATOM 0 HE3 LYS A 443 6.153 3.058 -1.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 6.859 5.099 -1.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 8.081 4.465 -2.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 6.586 4.909 -3.299 1.00 0.00 H new ATOM 613 N HIS A 444 6.411 -2.237 -0.956 1.00 0.00 N ATOM 614 CA HIS A 444 6.072 -2.613 0.410 1.00 0.00 C ATOM 615 C HIS A 444 6.762 -1.701 1.417 1.00 0.00 C ATOM 616 O HIS A 444 7.899 -1.277 1.212 1.00 0.00 O ATOM 617 CB HIS A 444 6.470 -4.067 0.673 1.00 0.00 C ATOM 618 CG HIS A 444 5.400 -5.057 0.334 1.00 0.00 C ATOM 619 ND1 HIS A 444 5.509 -6.404 0.605 1.00 0.00 N ATOM 620 CD2 HIS A 444 4.193 -4.891 -0.259 1.00 0.00 C ATOM 621 CE1 HIS A 444 4.418 -7.025 0.192 1.00 0.00 C ATOM 622 NE2 HIS A 444 3.603 -6.130 -0.333 1.00 0.00 N ATOM 0 H HIS A 444 7.383 -2.407 -1.213 1.00 0.00 H new ATOM 0 HA HIS A 444 4.994 -2.506 0.530 1.00 0.00 H new ATOM 0 HB2 HIS A 444 7.364 -4.300 0.094 1.00 0.00 H new ATOM 0 HB3 HIS A 444 6.734 -4.177 1.725 1.00 0.00 H new ATOM 0 HD2 HIS A 444 3.773 -3.959 -0.608 1.00 0.00 H new ATOM 0 HE1 HIS A 444 4.226 -8.085 0.271 1.00 0.00 H new ATOM 0 HE2 HIS A 444 2.684 -6.326 -0.730 1.00 0.00 H new ATOM 631 N VAL A 445 6.068 -1.413 2.511 1.00 0.00 N ATOM 632 CA VAL A 445 6.611 -0.562 3.561 1.00 0.00 C ATOM 633 C VAL A 445 6.429 -1.227 4.921 1.00 0.00 C ATOM 634 O VAL A 445 5.309 -1.536 5.324 1.00 0.00 O ATOM 635 CB VAL A 445 5.917 0.816 3.574 1.00 0.00 C ATOM 636 CG1 VAL A 445 6.622 1.768 4.527 1.00 0.00 C ATOM 637 CG2 VAL A 445 5.866 1.399 2.170 1.00 0.00 C ATOM 0 H VAL A 445 5.126 -1.758 2.694 1.00 0.00 H new ATOM 0 HA VAL A 445 7.672 -0.419 3.359 1.00 0.00 H new ATOM 0 HB VAL A 445 4.895 0.681 3.928 1.00 0.00 H new ATOM 0 HG11 VAL A 445 6.115 2.733 4.519 1.00 0.00 H new ATOM 0 HG12 VAL A 445 6.601 1.355 5.536 1.00 0.00 H new ATOM 0 HG13 VAL A 445 7.657 1.900 4.211 1.00 0.00 H new ATOM 0 HG21 VAL A 445 5.373 2.371 2.197 1.00 0.00 H new ATOM 0 HG22 VAL A 445 6.880 1.517 1.788 1.00 0.00 H new ATOM 0 HG23 VAL A 445 5.308 0.728 1.517 1.00 0.00 H new ATOM 647 N GLU A 446 7.537 -1.464 5.618 1.00 0.00 N ATOM 648 CA GLU A 446 7.487 -2.115 6.920 1.00 0.00 C ATOM 649 C GLU A 446 8.458 -1.468 7.897 1.00 0.00 C ATOM 650 O GLU A 446 9.436 -0.843 7.497 1.00 0.00 O ATOM 651 CB GLU A 446 7.825 -3.600 6.772 1.00 0.00 C ATOM 652 CG GLU A 446 6.647 -4.526 7.009 1.00 0.00 C ATOM 653 CD GLU A 446 6.148 -4.481 8.441 1.00 0.00 C ATOM 654 OE1 GLU A 446 5.823 -3.377 8.924 1.00 0.00 O ATOM 655 OE2 GLU A 446 6.082 -5.554 9.078 1.00 0.00 O ATOM 0 H GLU A 446 8.475 -1.216 5.304 1.00 0.00 H new ATOM 0 HA GLU A 446 6.477 -2.004 7.314 1.00 0.00 H new ATOM 0 HB2 GLU A 446 8.216 -3.775 5.770 1.00 0.00 H new ATOM 0 HB3 GLU A 446 8.620 -3.853 7.473 1.00 0.00 H new ATOM 0 HG2 GLU A 446 5.834 -4.253 6.336 1.00 0.00 H new ATOM 0 HG3 GLU A 446 6.937 -5.547 6.761 1.00 0.00 H new ATOM 662 N ARG A 447 8.185 -1.638 9.184 1.00 0.00 N ATOM 663 CA ARG A 447 9.037 -1.085 10.225 1.00 0.00 C ATOM 664 C ARG A 447 9.962 -2.165 10.776 1.00 0.00 C ATOM 665 O ARG A 447 9.695 -3.356 10.622 1.00 0.00 O ATOM 666 CB ARG A 447 8.184 -0.499 11.350 1.00 0.00 C ATOM 667 CG ARG A 447 7.457 0.777 10.959 1.00 0.00 C ATOM 668 CD ARG A 447 6.236 0.481 10.104 1.00 0.00 C ATOM 669 NE ARG A 447 5.472 1.688 9.800 1.00 0.00 N ATOM 670 CZ ARG A 447 4.589 1.776 8.808 1.00 0.00 C ATOM 671 NH1 ARG A 447 4.351 0.730 8.027 1.00 0.00 N ATOM 672 NH2 ARG A 447 3.940 2.913 8.597 1.00 0.00 N ATOM 0 H ARG A 447 7.378 -2.156 9.531 1.00 0.00 H new ATOM 0 HA ARG A 447 9.644 -0.289 9.794 1.00 0.00 H new ATOM 0 HB2 ARG A 447 7.452 -1.243 11.665 1.00 0.00 H new ATOM 0 HB3 ARG A 447 8.822 -0.295 12.210 1.00 0.00 H new ATOM 0 HG2 ARG A 447 7.152 1.314 11.858 1.00 0.00 H new ATOM 0 HG3 ARG A 447 8.136 1.431 10.412 1.00 0.00 H new ATOM 0 HD2 ARG A 447 6.551 0.008 9.174 1.00 0.00 H new ATOM 0 HD3 ARG A 447 5.595 -0.232 10.623 1.00 0.00 H new ATOM 0 HE ARG A 447 5.624 2.512 10.382 1.00 0.00 H new ATOM 0 HH11 ARG A 447 4.846 -0.148 8.185 1.00 0.00 H new ATOM 0 HH12 ARG A 447 3.673 0.804 7.268 1.00 0.00 H new ATOM 0 HH21 ARG A 447 4.118 3.720 9.195 1.00 0.00 H new ATOM 0 HH22 ARG A 447 3.263 2.980 7.837 1.00 0.00 H new ATOM 686 N ALA A 448 11.050 -1.748 11.414 1.00 0.00 N ATOM 687 CA ALA A 448 12.004 -2.695 11.977 1.00 0.00 C ATOM 688 C ALA A 448 11.776 -2.881 13.474 1.00 0.00 C ATOM 689 O ALA A 448 11.766 -1.917 14.238 1.00 0.00 O ATOM 690 CB ALA A 448 13.430 -2.237 11.704 1.00 0.00 C ATOM 0 H ALA A 448 11.292 -0.767 11.554 1.00 0.00 H new ATOM 0 HA ALA A 448 11.850 -3.660 11.493 1.00 0.00 H new ATOM 0 HB1 ALA A 448 14.131 -2.955 12.131 1.00 0.00 H new ATOM 0 HB2 ALA A 448 13.591 -2.169 10.628 1.00 0.00 H new ATOM 0 HB3 ALA A 448 13.591 -1.259 12.158 1.00 0.00 H new ATOM 696 N ALA A 449 11.578 -4.134 13.879 1.00 0.00 N ATOM 697 CA ALA A 449 11.332 -4.470 15.280 1.00 0.00 C ATOM 698 C ALA A 449 12.262 -3.700 16.216 1.00 0.00 C ATOM 699 O ALA A 449 11.810 -3.067 17.169 1.00 0.00 O ATOM 700 CB ALA A 449 11.485 -5.969 15.493 1.00 0.00 C ATOM 0 H ALA A 449 11.583 -4.938 13.252 1.00 0.00 H new ATOM 0 HA ALA A 449 10.310 -4.177 15.520 1.00 0.00 H new ATOM 0 HB1 ALA A 449 11.300 -6.209 16.540 1.00 0.00 H new ATOM 0 HB2 ALA A 449 10.768 -6.500 14.867 1.00 0.00 H new ATOM 0 HB3 ALA A 449 12.497 -6.273 15.225 1.00 0.00 H new ATOM 706 N THR A 450 13.560 -3.759 15.938 1.00 0.00 N ATOM 707 CA THR A 450 14.546 -3.066 16.758 1.00 0.00 C ATOM 708 C THR A 450 14.709 -1.611 16.322 1.00 0.00 C ATOM 709 O THR A 450 15.106 -0.757 17.115 1.00 0.00 O ATOM 710 CB THR A 450 15.916 -3.766 16.697 1.00 0.00 C ATOM 711 OG1 THR A 450 16.039 -4.498 15.472 1.00 0.00 O ATOM 712 CG2 THR A 450 16.095 -4.709 17.877 1.00 0.00 C ATOM 0 H THR A 450 13.953 -4.278 15.153 1.00 0.00 H new ATOM 0 HA THR A 450 14.176 -3.092 17.783 1.00 0.00 H new ATOM 0 HB THR A 450 16.692 -3.002 16.742 1.00 0.00 H new ATOM 0 HG1 THR A 450 16.914 -4.939 15.441 1.00 0.00 H new ATOM 0 HG21 THR A 450 17.070 -5.192 17.812 1.00 0.00 H new ATOM 0 HG22 THR A 450 16.031 -4.144 18.807 1.00 0.00 H new ATOM 0 HG23 THR A 450 15.313 -5.468 17.858 1.00 0.00 H new ATOM 720 N ASP A 451 14.402 -1.334 15.057 1.00 0.00 N ATOM 721 CA ASP A 451 14.520 0.019 14.521 1.00 0.00 C ATOM 722 C ASP A 451 13.205 0.484 13.894 1.00 0.00 C ATOM 723 O ASP A 451 12.952 0.243 12.715 1.00 0.00 O ATOM 724 CB ASP A 451 15.641 0.083 13.481 1.00 0.00 C ATOM 725 CG ASP A 451 16.149 1.495 13.265 1.00 0.00 C ATOM 726 OD1 ASP A 451 15.338 2.440 13.365 1.00 0.00 O ATOM 727 OD2 ASP A 451 17.358 1.657 12.998 1.00 0.00 O ATOM 0 H ASP A 451 14.070 -2.027 14.386 1.00 0.00 H new ATOM 0 HA ASP A 451 14.759 0.685 15.350 1.00 0.00 H new ATOM 0 HB2 ASP A 451 16.467 -0.552 13.801 1.00 0.00 H new ATOM 0 HB3 ASP A 451 15.278 -0.319 12.535 1.00 0.00 H new ATOM 732 N PRO A 452 12.349 1.163 14.678 1.00 0.00 N ATOM 733 CA PRO A 452 11.058 1.661 14.188 1.00 0.00 C ATOM 734 C PRO A 452 11.204 2.868 13.263 1.00 0.00 C ATOM 735 O PRO A 452 10.242 3.282 12.616 1.00 0.00 O ATOM 736 CB PRO A 452 10.330 2.061 15.471 1.00 0.00 C ATOM 737 CG PRO A 452 11.417 2.410 16.428 1.00 0.00 C ATOM 738 CD PRO A 452 12.570 1.500 16.096 1.00 0.00 C ATOM 0 HA PRO A 452 10.535 0.913 13.592 1.00 0.00 H new ATOM 0 HB2 PRO A 452 9.664 2.907 15.301 1.00 0.00 H new ATOM 0 HB3 PRO A 452 9.716 1.244 15.850 1.00 0.00 H new ATOM 0 HG2 PRO A 452 11.704 3.457 16.327 1.00 0.00 H new ATOM 0 HG3 PRO A 452 11.091 2.267 17.458 1.00 0.00 H new ATOM 0 HD2 PRO A 452 13.529 1.997 16.245 1.00 0.00 H new ATOM 0 HD3 PRO A 452 12.571 0.609 16.724 1.00 0.00 H new ATOM 746 N LYS A 453 12.408 3.431 13.207 1.00 0.00 N ATOM 747 CA LYS A 453 12.668 4.593 12.365 1.00 0.00 C ATOM 748 C LYS A 453 13.326 4.191 11.046 1.00 0.00 C ATOM 749 O LYS A 453 13.318 4.957 10.081 1.00 0.00 O ATOM 750 CB LYS A 453 13.560 5.592 13.106 1.00 0.00 C ATOM 751 CG LYS A 453 13.822 6.873 12.331 1.00 0.00 C ATOM 752 CD LYS A 453 12.579 7.747 12.262 1.00 0.00 C ATOM 753 CE LYS A 453 11.853 7.579 10.938 1.00 0.00 C ATOM 754 NZ LYS A 453 12.772 7.731 9.776 1.00 0.00 N ATOM 0 H LYS A 453 13.217 3.102 13.734 1.00 0.00 H new ATOM 0 HA LYS A 453 11.710 5.060 12.138 1.00 0.00 H new ATOM 0 HB2 LYS A 453 13.094 5.844 14.059 1.00 0.00 H new ATOM 0 HB3 LYS A 453 14.513 5.115 13.333 1.00 0.00 H new ATOM 0 HG2 LYS A 453 14.632 7.427 12.805 1.00 0.00 H new ATOM 0 HG3 LYS A 453 14.152 6.628 11.322 1.00 0.00 H new ATOM 0 HD2 LYS A 453 11.907 7.491 13.081 1.00 0.00 H new ATOM 0 HD3 LYS A 453 12.860 8.792 12.394 1.00 0.00 H new ATOM 0 HE2 LYS A 453 11.384 6.596 10.904 1.00 0.00 H new ATOM 0 HE3 LYS A 453 11.053 8.316 10.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 12.253 8.143 8.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 13.561 8.357 10.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 13.145 6.799 9.504 1.00 0.00 H new ATOM 768 N ALA A 454 13.897 2.989 11.006 1.00 0.00 N ATOM 769 CA ALA A 454 14.558 2.499 9.802 1.00 0.00 C ATOM 770 C ALA A 454 13.589 2.417 8.630 1.00 0.00 C ATOM 771 O ALA A 454 13.745 3.119 7.631 1.00 0.00 O ATOM 772 CB ALA A 454 15.184 1.137 10.065 1.00 0.00 C ATOM 0 H ALA A 454 13.915 2.339 11.792 1.00 0.00 H new ATOM 0 HA ALA A 454 15.343 3.208 9.537 1.00 0.00 H new ATOM 0 HB1 ALA A 454 15.675 0.781 9.159 1.00 0.00 H new ATOM 0 HB2 ALA A 454 15.919 1.223 10.866 1.00 0.00 H new ATOM 0 HB3 ALA A 454 14.408 0.430 10.359 1.00 0.00 H new ATOM 778 N VAL A 455 12.592 1.552 8.761 1.00 0.00 N ATOM 779 CA VAL A 455 11.588 1.361 7.720 1.00 0.00 C ATOM 780 C VAL A 455 12.181 0.649 6.506 1.00 0.00 C ATOM 781 O VAL A 455 13.225 1.047 5.988 1.00 0.00 O ATOM 782 CB VAL A 455 10.969 2.699 7.266 1.00 0.00 C ATOM 783 CG1 VAL A 455 9.834 2.456 6.282 1.00 0.00 C ATOM 784 CG2 VAL A 455 10.479 3.495 8.465 1.00 0.00 C ATOM 0 H VAL A 455 12.456 0.966 9.585 1.00 0.00 H new ATOM 0 HA VAL A 455 10.803 0.743 8.156 1.00 0.00 H new ATOM 0 HB VAL A 455 11.740 3.281 6.761 1.00 0.00 H new ATOM 0 HG11 VAL A 455 9.410 3.411 5.973 1.00 0.00 H new ATOM 0 HG12 VAL A 455 10.217 1.929 5.408 1.00 0.00 H new ATOM 0 HG13 VAL A 455 9.061 1.853 6.759 1.00 0.00 H new ATOM 0 HG21 VAL A 455 10.046 4.436 8.125 1.00 0.00 H new ATOM 0 HG22 VAL A 455 9.723 2.920 9.000 1.00 0.00 H new ATOM 0 HG23 VAL A 455 11.316 3.701 9.132 1.00 0.00 H new ATOM 794 N VAL A 456 11.506 -0.406 6.060 1.00 0.00 N ATOM 795 CA VAL A 456 11.959 -1.179 4.909 1.00 0.00 C ATOM 796 C VAL A 456 11.111 -0.870 3.676 1.00 0.00 C ATOM 797 O VAL A 456 9.897 -0.690 3.778 1.00 0.00 O ATOM 798 CB VAL A 456 11.911 -2.699 5.198 1.00 0.00 C ATOM 799 CG1 VAL A 456 12.417 -2.999 6.603 1.00 0.00 C ATOM 800 CG2 VAL A 456 10.501 -3.248 5.013 1.00 0.00 C ATOM 0 H VAL A 456 10.641 -0.746 6.480 1.00 0.00 H new ATOM 0 HA VAL A 456 12.992 -0.891 4.714 1.00 0.00 H new ATOM 0 HB VAL A 456 12.566 -3.194 4.481 1.00 0.00 H new ATOM 0 HG11 VAL A 456 12.374 -4.073 6.784 1.00 0.00 H new ATOM 0 HG12 VAL A 456 13.447 -2.656 6.700 1.00 0.00 H new ATOM 0 HG13 VAL A 456 11.793 -2.483 7.332 1.00 0.00 H new ATOM 0 HG21 VAL A 456 10.497 -4.318 5.222 1.00 0.00 H new ATOM 0 HG22 VAL A 456 9.821 -2.741 5.697 1.00 0.00 H new ATOM 0 HG23 VAL A 456 10.176 -3.078 3.987 1.00 0.00 H new ATOM 810 N THR A 457 11.753 -0.814 2.516 1.00 0.00 N ATOM 811 CA THR A 457 11.051 -0.533 1.270 1.00 0.00 C ATOM 812 C THR A 457 11.426 -1.537 0.187 1.00 0.00 C ATOM 813 O THR A 457 12.568 -1.574 -0.273 1.00 0.00 O ATOM 814 CB THR A 457 11.348 0.891 0.762 1.00 0.00 C ATOM 815 OG1 THR A 457 11.719 1.738 1.857 1.00 0.00 O ATOM 816 CG2 THR A 457 10.134 1.472 0.052 1.00 0.00 C ATOM 0 H THR A 457 12.757 -0.959 2.412 1.00 0.00 H new ATOM 0 HA THR A 457 9.986 -0.617 1.485 1.00 0.00 H new ATOM 0 HB THR A 457 12.175 0.836 0.054 1.00 0.00 H new ATOM 0 HG1 THR A 457 11.907 2.640 1.524 1.00 0.00 H new ATOM 0 HG21 THR A 457 10.365 2.478 -0.299 1.00 0.00 H new ATOM 0 HG22 THR A 457 9.874 0.842 -0.798 1.00 0.00 H new ATOM 0 HG23 THR A 457 9.293 1.513 0.744 1.00 0.00 H new ATOM 824 N THR A 458 10.457 -2.352 -0.219 1.00 0.00 N ATOM 825 CA THR A 458 10.682 -3.358 -1.250 1.00 0.00 C ATOM 826 C THR A 458 9.956 -2.992 -2.540 1.00 0.00 C ATOM 827 O THR A 458 8.754 -2.727 -2.531 1.00 0.00 O ATOM 828 CB THR A 458 10.211 -4.750 -0.788 1.00 0.00 C ATOM 829 OG1 THR A 458 10.372 -4.879 0.629 1.00 0.00 O ATOM 830 CG2 THR A 458 10.994 -5.847 -1.492 1.00 0.00 C ATOM 0 H THR A 458 9.507 -2.335 0.152 1.00 0.00 H new ATOM 0 HA THR A 458 11.756 -3.388 -1.435 1.00 0.00 H new ATOM 0 HB THR A 458 9.157 -4.854 -1.044 1.00 0.00 H new ATOM 0 HG1 THR A 458 10.068 -5.766 0.913 1.00 0.00 H new ATOM 0 HG21 THR A 458 10.644 -6.821 -1.150 1.00 0.00 H new ATOM 0 HG22 THR A 458 10.846 -5.766 -2.569 1.00 0.00 H new ATOM 0 HG23 THR A 458 12.054 -5.742 -1.263 1.00 0.00 H new ATOM 838 N TYR A 459 10.694 -2.977 -3.645 1.00 0.00 N ATOM 839 CA TYR A 459 10.118 -2.639 -4.942 1.00 0.00 C ATOM 840 C TYR A 459 9.840 -3.895 -5.763 1.00 0.00 C ATOM 841 O TYR A 459 10.764 -4.603 -6.166 1.00 0.00 O ATOM 842 CB TYR A 459 11.058 -1.711 -5.712 1.00 0.00 C ATOM 843 CG TYR A 459 11.018 -0.277 -5.233 1.00 0.00 C ATOM 844 CD1 TYR A 459 9.895 0.513 -5.441 1.00 0.00 C ATOM 845 CD2 TYR A 459 12.105 0.286 -4.574 1.00 0.00 C ATOM 846 CE1 TYR A 459 9.855 1.824 -5.007 1.00 0.00 C ATOM 847 CE2 TYR A 459 12.073 1.595 -4.137 1.00 0.00 C ATOM 848 CZ TYR A 459 10.946 2.359 -4.354 1.00 0.00 C ATOM 849 OH TYR A 459 10.910 3.665 -3.920 1.00 0.00 O ATOM 0 H TYR A 459 11.690 -3.194 -3.669 1.00 0.00 H new ATOM 0 HA TYR A 459 9.172 -2.127 -4.768 1.00 0.00 H new ATOM 0 HB2 TYR A 459 12.078 -2.086 -5.625 1.00 0.00 H new ATOM 0 HB3 TYR A 459 10.797 -1.739 -6.770 1.00 0.00 H new ATOM 0 HD1 TYR A 459 9.039 0.096 -5.950 1.00 0.00 H new ATOM 0 HD2 TYR A 459 12.989 -0.310 -4.401 1.00 0.00 H new ATOM 0 HE1 TYR A 459 8.975 2.426 -5.178 1.00 0.00 H new ATOM 0 HE2 TYR A 459 12.926 2.018 -3.628 1.00 0.00 H new ATOM 0 HH TYR A 459 11.757 3.887 -3.479 1.00 0.00 H new ATOM 859 N GLU A 460 8.562 -4.163 -6.010 1.00 0.00 N ATOM 860 CA GLU A 460 8.160 -5.332 -6.784 1.00 0.00 C ATOM 861 C GLU A 460 7.630 -4.918 -8.152 1.00 0.00 C ATOM 862 O GLU A 460 6.502 -4.440 -8.274 1.00 0.00 O ATOM 863 CB GLU A 460 7.095 -6.127 -6.028 1.00 0.00 C ATOM 864 CG GLU A 460 7.483 -6.458 -4.596 1.00 0.00 C ATOM 865 CD GLU A 460 6.298 -6.442 -3.649 1.00 0.00 C ATOM 866 OE1 GLU A 460 5.152 -6.568 -4.130 1.00 0.00 O ATOM 867 OE2 GLU A 460 6.517 -6.304 -2.427 1.00 0.00 O ATOM 0 H GLU A 460 7.786 -3.586 -5.685 1.00 0.00 H new ATOM 0 HA GLU A 460 9.037 -5.963 -6.930 1.00 0.00 H new ATOM 0 HB2 GLU A 460 6.166 -5.558 -6.021 1.00 0.00 H new ATOM 0 HB3 GLU A 460 6.897 -7.054 -6.565 1.00 0.00 H new ATOM 0 HG2 GLU A 460 7.951 -7.442 -4.569 1.00 0.00 H new ATOM 0 HG3 GLU A 460 8.228 -5.741 -4.251 1.00 0.00 H new ATOM 874 N GLY A 461 8.451 -5.106 -9.183 1.00 0.00 N ATOM 875 CA GLY A 461 8.044 -4.749 -10.530 1.00 0.00 C ATOM 876 C GLY A 461 8.750 -3.506 -11.041 1.00 0.00 C ATOM 877 O GLY A 461 9.046 -2.591 -10.273 1.00 0.00 O ATOM 0 H GLY A 461 9.389 -5.499 -9.109 1.00 0.00 H new ATOM 0 HA2 GLY A 461 8.251 -5.582 -11.201 1.00 0.00 H new ATOM 0 HA3 GLY A 461 6.967 -4.585 -10.549 1.00 0.00 H new ATOM 881 N LYS A 462 9.023 -3.475 -12.343 1.00 0.00 N ATOM 882 CA LYS A 462 9.700 -2.338 -12.959 1.00 0.00 C ATOM 883 C LYS A 462 8.692 -1.343 -13.525 1.00 0.00 C ATOM 884 O LYS A 462 7.509 -1.655 -13.665 1.00 0.00 O ATOM 885 CB LYS A 462 10.638 -2.818 -14.068 1.00 0.00 C ATOM 886 CG LYS A 462 12.086 -2.944 -13.628 1.00 0.00 C ATOM 887 CD LYS A 462 12.874 -3.855 -14.557 1.00 0.00 C ATOM 888 CE LYS A 462 14.352 -3.863 -14.206 1.00 0.00 C ATOM 889 NZ LYS A 462 15.131 -4.771 -15.093 1.00 0.00 N ATOM 0 H LYS A 462 8.785 -4.225 -12.992 1.00 0.00 H new ATOM 0 HA LYS A 462 10.285 -1.835 -12.189 1.00 0.00 H new ATOM 0 HB2 LYS A 462 10.292 -3.786 -14.431 1.00 0.00 H new ATOM 0 HB3 LYS A 462 10.581 -2.124 -14.906 1.00 0.00 H new ATOM 0 HG2 LYS A 462 12.548 -1.957 -13.607 1.00 0.00 H new ATOM 0 HG3 LYS A 462 12.126 -3.337 -12.612 1.00 0.00 H new ATOM 0 HD2 LYS A 462 12.479 -4.869 -14.496 1.00 0.00 H new ATOM 0 HD3 LYS A 462 12.745 -3.525 -15.588 1.00 0.00 H new ATOM 0 HE2 LYS A 462 14.749 -2.851 -14.285 1.00 0.00 H new ATOM 0 HE3 LYS A 462 14.477 -4.174 -13.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 462 16.134 -4.747 -14.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 462 14.770 -5.742 -14.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 462 15.034 -4.459 -16.080 1.00 0.00 H new ATOM 903 N HIS A 463 9.168 -0.147 -13.852 1.00 0.00 N ATOM 904 CA HIS A 463 8.307 0.894 -14.401 1.00 0.00 C ATOM 905 C HIS A 463 8.633 1.161 -15.866 1.00 0.00 C ATOM 906 O HIS A 463 9.792 1.368 -16.228 1.00 0.00 O ATOM 907 CB HIS A 463 8.454 2.184 -13.595 1.00 0.00 C ATOM 908 CG HIS A 463 8.282 1.991 -12.122 1.00 0.00 C ATOM 909 ND1 HIS A 463 7.101 2.253 -11.460 1.00 0.00 N ATOM 910 CD2 HIS A 463 9.151 1.556 -11.178 1.00 0.00 C ATOM 911 CE1 HIS A 463 7.250 1.990 -10.173 1.00 0.00 C ATOM 912 NE2 HIS A 463 8.484 1.564 -9.978 1.00 0.00 N ATOM 0 H HIS A 463 10.145 0.126 -13.747 1.00 0.00 H new ATOM 0 HA HIS A 463 7.277 0.545 -14.336 1.00 0.00 H new ATOM 0 HB2 HIS A 463 9.439 2.611 -13.785 1.00 0.00 H new ATOM 0 HB3 HIS A 463 7.719 2.908 -13.947 1.00 0.00 H new ATOM 0 HD2 HIS A 463 10.177 1.259 -11.339 1.00 0.00 H new ATOM 0 HE1 HIS A 463 6.492 2.104 -9.412 1.00 0.00 H new ATOM 0 HE2 HIS A 463 8.879 1.285 -9.080 1.00 0.00 H new ATOM 920 N ASN A 464 7.602 1.160 -16.704 1.00 0.00 N ATOM 921 CA ASN A 464 7.775 1.407 -18.131 1.00 0.00 C ATOM 922 C ASN A 464 7.364 2.834 -18.478 1.00 0.00 C ATOM 923 O ASN A 464 6.623 3.063 -19.434 1.00 0.00 O ATOM 924 CB ASN A 464 6.952 0.411 -18.949 1.00 0.00 C ATOM 925 CG ASN A 464 7.582 -0.969 -18.987 1.00 0.00 C ATOM 926 OD1 ASN A 464 8.804 -1.104 -19.033 1.00 0.00 O ATOM 927 ND2 ASN A 464 6.747 -1.999 -18.968 1.00 0.00 N ATOM 0 H ASN A 464 6.637 0.991 -16.420 1.00 0.00 H new ATOM 0 HA ASN A 464 8.829 1.276 -18.377 1.00 0.00 H new ATOM 0 HB2 ASN A 464 5.950 0.338 -18.526 1.00 0.00 H new ATOM 0 HB3 ASN A 464 6.842 0.785 -19.967 1.00 0.00 H new ATOM 0 HD21 ASN A 464 7.111 -2.951 -18.992 1.00 0.00 H new ATOM 0 HD22 ASN A 464 5.740 -1.839 -18.930 1.00 0.00 H new ATOM 934 N HIS A 465 7.846 3.789 -17.692 1.00 0.00 N ATOM 935 CA HIS A 465 7.525 5.193 -17.914 1.00 0.00 C ATOM 936 C HIS A 465 8.631 6.098 -17.382 1.00 0.00 C ATOM 937 O HIS A 465 9.332 5.747 -16.432 1.00 0.00 O ATOM 938 CB HIS A 465 6.196 5.543 -17.241 1.00 0.00 C ATOM 939 CG HIS A 465 6.225 5.420 -15.747 1.00 0.00 C ATOM 940 ND1 HIS A 465 6.986 6.235 -14.936 1.00 0.00 N ATOM 941 CD2 HIS A 465 5.577 4.568 -14.915 1.00 0.00 C ATOM 942 CE1 HIS A 465 6.806 5.889 -13.673 1.00 0.00 C ATOM 943 NE2 HIS A 465 5.956 4.881 -13.633 1.00 0.00 N ATOM 0 H HIS A 465 8.460 3.617 -16.896 1.00 0.00 H new ATOM 0 HA HIS A 465 7.437 5.354 -18.988 1.00 0.00 H new ATOM 0 HB2 HIS A 465 5.922 6.564 -17.507 1.00 0.00 H new ATOM 0 HB3 HIS A 465 5.417 4.891 -17.635 1.00 0.00 H new ATOM 0 HD2 HIS A 465 4.890 3.788 -15.207 1.00 0.00 H new ATOM 0 HE1 HIS A 465 7.275 6.353 -12.818 1.00 0.00 H new ATOM 0 HE2 HIS A 465 5.633 4.411 -12.787 1.00 0.00 H new