USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=20 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+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 459 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 412 TYR OH : rot 180:sc= -1.56 USER MOD Set 2.2: A 434 CYS SG : rot 140:sc= -0.213 USER MOD Set 2.3: A 436 THR OG1 : rot -157:sc= -0.441 USER MOD Set 2.4: A 439 CYS SG : rot -141:sc= -1.47 USER MOD Set 2.5: A 463 HIS :FLIP no HD1:sc= -1.69 F(o=-16,f=-14) USER MOD Set 2.6: A 465 HIS : no HE2:sc= -8.8! C(o=-14!,f=-16!) USER MOD Set 3.1: A 416 LYS NZ :NH3+ -156:sc= -0.165 (180deg=-0.697) USER MOD Set 3.2: A 419 GLN : amide:sc= 0 X(o=-0.16,f=-0.36) USER MOD Single : A 417 TYR OH : rot 180:sc= 0 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 :FLIP amide:sc= -0.605 F(o=-1.8,f=-0.6) USER MOD Single : A 427 TYR OH : rot -164:sc= -1.03 USER MOD Single : A 430 SER OG : rot 180:sc= 0 USER MOD Single : A 431 TYR OH : rot 180:sc= 0.028 USER MOD Single : A 432 TYR OH : rot 180:sc= 0 USER MOD Single : A 433 LYS NZ :NH3+ -134:sc= 0.297 (180deg=0) USER MOD Single : A 435 THR OG1 : rot 180:sc= 0 USER MOD Single : A 444 HIS : no HD1:sc= -1.55 K(o=-1.5,f=-2.5!) USER MOD Single : A 450 THR OG1 : rot 180:sc= 0.0682 USER MOD Single : A 453 LYS NZ :NH3+ 168:sc= 0.858 (180deg=0.642) USER MOD Single : A 457 THR OG1 : rot 180:sc= 0 USER MOD Single : A 458 THR OG1 : rot 180:sc= 0 USER MOD Single : A 462 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 464 ASN : amide:sc= 0.159 K(o=0.16,f=-6.4!) USER MOD ----------------------------------------------------------------- ATOM 70 N TYR A 412 7.921 9.961 -7.990 1.00 0.00 N ATOM 71 CA TYR A 412 6.924 9.019 -8.498 1.00 0.00 C ATOM 72 C TYR A 412 5.593 9.231 -7.780 1.00 0.00 C ATOM 73 O TYR A 412 5.530 9.930 -6.769 1.00 0.00 O ATOM 74 CB TYR A 412 7.386 7.571 -8.297 1.00 0.00 C ATOM 75 CG TYR A 412 8.126 6.986 -9.479 1.00 0.00 C ATOM 76 CD1 TYR A 412 7.672 7.179 -10.778 1.00 0.00 C ATOM 77 CD2 TYR A 412 9.286 6.246 -9.292 1.00 0.00 C ATOM 78 CE1 TYR A 412 8.353 6.646 -11.856 1.00 0.00 C ATOM 79 CE2 TYR A 412 9.974 5.713 -10.366 1.00 0.00 C ATOM 80 CZ TYR A 412 9.504 5.916 -11.645 1.00 0.00 C ATOM 81 OH TYR A 412 10.184 5.387 -12.719 1.00 0.00 O ATOM 0 HA TYR A 412 6.799 9.201 -9.565 1.00 0.00 H new ATOM 0 HB2 TYR A 412 8.032 7.526 -7.420 1.00 0.00 H new ATOM 0 HB3 TYR A 412 6.516 6.950 -8.084 1.00 0.00 H new ATOM 0 HD1 TYR A 412 6.774 7.754 -10.948 1.00 0.00 H new ATOM 0 HD2 TYR A 412 9.657 6.084 -8.291 1.00 0.00 H new ATOM 0 HE1 TYR A 412 7.985 6.800 -12.860 1.00 0.00 H new ATOM 0 HE2 TYR A 412 10.875 5.140 -10.203 1.00 0.00 H new ATOM 0 HH TYR A 412 10.973 4.902 -12.400 1.00 0.00 H new ATOM 91 N ARG A 413 4.534 8.619 -8.297 1.00 0.00 N ATOM 92 CA ARG A 413 3.213 8.738 -7.689 1.00 0.00 C ATOM 93 C ARG A 413 2.764 7.393 -7.133 1.00 0.00 C ATOM 94 O ARG A 413 2.681 6.409 -7.866 1.00 0.00 O ATOM 95 CB ARG A 413 2.197 9.251 -8.711 1.00 0.00 C ATOM 96 CG ARG A 413 0.938 9.837 -8.086 1.00 0.00 C ATOM 97 CD ARG A 413 1.266 10.865 -7.012 1.00 0.00 C ATOM 98 NE ARG A 413 2.416 11.691 -7.373 1.00 0.00 N ATOM 99 CZ ARG A 413 2.344 12.765 -8.156 1.00 0.00 C ATOM 100 NH1 ARG A 413 1.181 13.144 -8.671 1.00 0.00 N ATOM 101 NH2 ARG A 413 3.440 13.460 -8.431 1.00 0.00 N ATOM 0 H ARG A 413 4.563 8.037 -9.134 1.00 0.00 H new ATOM 0 HA ARG A 413 3.274 9.454 -6.870 1.00 0.00 H new ATOM 0 HB2 ARG A 413 2.672 10.012 -9.331 1.00 0.00 H new ATOM 0 HB3 ARG A 413 1.915 8.431 -9.372 1.00 0.00 H new ATOM 0 HG2 ARG A 413 0.330 10.303 -8.862 1.00 0.00 H new ATOM 0 HG3 ARG A 413 0.341 9.035 -7.652 1.00 0.00 H new ATOM 0 HD2 ARG A 413 0.399 11.504 -6.846 1.00 0.00 H new ATOM 0 HD3 ARG A 413 1.469 10.353 -6.071 1.00 0.00 H new ATOM 0 HE ARG A 413 3.329 11.429 -7.002 1.00 0.00 H new ATOM 0 HH11 ARG A 413 0.335 12.611 -8.468 1.00 0.00 H new ATOM 0 HH12 ARG A 413 1.133 13.968 -9.270 1.00 0.00 H new ATOM 0 HH21 ARG A 413 4.338 13.171 -8.042 1.00 0.00 H new ATOM 0 HH22 ARG A 413 3.385 14.283 -9.031 1.00 0.00 H new ATOM 115 N TRP A 414 2.494 7.349 -5.831 1.00 0.00 N ATOM 116 CA TRP A 414 2.078 6.110 -5.184 1.00 0.00 C ATOM 117 C TRP A 414 0.763 6.273 -4.434 1.00 0.00 C ATOM 118 O TRP A 414 0.509 7.303 -3.809 1.00 0.00 O ATOM 119 CB TRP A 414 3.162 5.640 -4.218 1.00 0.00 C ATOM 120 CG TRP A 414 4.524 5.609 -4.835 1.00 0.00 C ATOM 121 CD1 TRP A 414 5.409 6.645 -4.924 1.00 0.00 C ATOM 122 CD2 TRP A 414 5.151 4.488 -5.458 1.00 0.00 C ATOM 123 NE1 TRP A 414 6.556 6.231 -5.560 1.00 0.00 N ATOM 124 CE2 TRP A 414 6.420 4.907 -5.899 1.00 0.00 C ATOM 125 CE3 TRP A 414 4.761 3.165 -5.683 1.00 0.00 C ATOM 126 CZ2 TRP A 414 7.301 4.049 -6.554 1.00 0.00 C ATOM 127 CZ3 TRP A 414 5.635 2.314 -6.333 1.00 0.00 C ATOM 128 CH2 TRP A 414 6.891 2.759 -6.762 1.00 0.00 C ATOM 0 H TRP A 414 2.556 8.153 -5.207 1.00 0.00 H new ATOM 0 HA TRP A 414 1.927 5.366 -5.966 1.00 0.00 H new ATOM 0 HB2 TRP A 414 3.178 6.299 -3.350 1.00 0.00 H new ATOM 0 HB3 TRP A 414 2.911 4.643 -3.856 1.00 0.00 H new ATOM 0 HD1 TRP A 414 5.234 7.643 -4.550 1.00 0.00 H new ATOM 0 HE1 TRP A 414 7.373 6.812 -5.749 1.00 0.00 H new ATOM 0 HE3 TRP A 414 3.794 2.814 -5.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 414 8.271 4.389 -6.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 414 5.344 1.290 -6.513 1.00 0.00 H new ATOM 0 HH2 TRP A 414 7.551 2.070 -7.268 1.00 0.00 H new ATOM 139 N ARG A 415 -0.068 5.237 -4.498 1.00 0.00 N ATOM 140 CA ARG A 415 -1.359 5.241 -3.824 1.00 0.00 C ATOM 141 C ARG A 415 -1.405 4.150 -2.756 1.00 0.00 C ATOM 142 O ARG A 415 -1.534 2.967 -3.070 1.00 0.00 O ATOM 143 CB ARG A 415 -2.485 5.031 -4.841 1.00 0.00 C ATOM 144 CG ARG A 415 -3.855 4.843 -4.208 1.00 0.00 C ATOM 145 CD ARG A 415 -4.233 3.373 -4.123 1.00 0.00 C ATOM 146 NE ARG A 415 -5.681 3.181 -4.056 1.00 0.00 N ATOM 147 CZ ARG A 415 -6.282 2.007 -4.236 1.00 0.00 C ATOM 148 NH1 ARG A 415 -5.566 0.921 -4.503 1.00 0.00 N ATOM 149 NH2 ARG A 415 -7.601 1.919 -4.151 1.00 0.00 N ATOM 0 H ARG A 415 0.133 4.380 -5.013 1.00 0.00 H new ATOM 0 HA ARG A 415 -1.496 6.208 -3.340 1.00 0.00 H new ATOM 0 HB2 ARG A 415 -2.520 5.889 -5.513 1.00 0.00 H new ATOM 0 HB3 ARG A 415 -2.253 4.158 -5.451 1.00 0.00 H new ATOM 0 HG2 ARG A 415 -3.858 5.279 -3.209 1.00 0.00 H new ATOM 0 HG3 ARG A 415 -4.603 5.379 -4.792 1.00 0.00 H new ATOM 0 HD2 ARG A 415 -3.838 2.847 -4.992 1.00 0.00 H new ATOM 0 HD3 ARG A 415 -3.768 2.930 -3.243 1.00 0.00 H new ATOM 0 HE ARG A 415 -6.265 3.994 -3.860 1.00 0.00 H new ATOM 0 HH11 ARG A 415 -4.550 0.984 -4.571 1.00 0.00 H new ATOM 0 HH12 ARG A 415 -6.032 0.024 -4.640 1.00 0.00 H new ATOM 0 HH21 ARG A 415 -8.156 2.751 -3.948 1.00 0.00 H new ATOM 0 HH22 ARG A 415 -8.062 1.020 -4.289 1.00 0.00 H new ATOM 163 N LYS A 416 -1.297 4.557 -1.494 1.00 0.00 N ATOM 164 CA LYS A 416 -1.326 3.610 -0.379 1.00 0.00 C ATOM 165 C LYS A 416 -2.505 2.652 -0.511 1.00 0.00 C ATOM 166 O LYS A 416 -3.569 3.029 -1.000 1.00 0.00 O ATOM 167 CB LYS A 416 -1.410 4.362 0.951 1.00 0.00 C ATOM 168 CG LYS A 416 -0.511 3.788 2.034 1.00 0.00 C ATOM 169 CD LYS A 416 -1.202 2.669 2.797 1.00 0.00 C ATOM 170 CE LYS A 416 -2.178 3.215 3.825 1.00 0.00 C ATOM 171 NZ LYS A 416 -1.495 4.048 4.853 1.00 0.00 N ATOM 0 H LYS A 416 -1.189 5.533 -1.217 1.00 0.00 H new ATOM 0 HA LYS A 416 -0.405 3.028 -0.402 1.00 0.00 H new ATOM 0 HB2 LYS A 416 -1.144 5.406 0.786 1.00 0.00 H new ATOM 0 HB3 LYS A 416 -2.442 4.348 1.302 1.00 0.00 H new ATOM 0 HG2 LYS A 416 0.407 3.410 1.584 1.00 0.00 H new ATOM 0 HG3 LYS A 416 -0.224 4.579 2.727 1.00 0.00 H new ATOM 0 HD2 LYS A 416 -1.733 2.024 2.097 1.00 0.00 H new ATOM 0 HD3 LYS A 416 -0.455 2.052 3.295 1.00 0.00 H new ATOM 0 HE2 LYS A 416 -2.939 3.811 3.322 1.00 0.00 H new ATOM 0 HE3 LYS A 416 -2.693 2.387 4.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 416 -2.065 4.063 5.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 416 -0.559 3.645 5.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 416 -1.383 5.018 4.495 1.00 0.00 H new ATOM 185 N TYR A 417 -2.314 1.410 -0.074 1.00 0.00 N ATOM 186 CA TYR A 417 -3.377 0.417 -0.155 1.00 0.00 C ATOM 187 C TYR A 417 -3.153 -0.749 0.808 1.00 0.00 C ATOM 188 O TYR A 417 -2.082 -1.364 0.831 1.00 0.00 O ATOM 189 CB TYR A 417 -3.523 -0.091 -1.600 1.00 0.00 C ATOM 190 CG TYR A 417 -2.811 -1.398 -1.888 1.00 0.00 C ATOM 191 CD1 TYR A 417 -3.348 -2.612 -1.472 1.00 0.00 C ATOM 192 CD2 TYR A 417 -1.605 -1.420 -2.577 1.00 0.00 C ATOM 193 CE1 TYR A 417 -2.703 -3.805 -1.732 1.00 0.00 C ATOM 194 CE2 TYR A 417 -0.955 -2.610 -2.842 1.00 0.00 C ATOM 195 CZ TYR A 417 -1.507 -3.799 -2.418 1.00 0.00 C ATOM 196 OH TYR A 417 -0.863 -4.985 -2.679 1.00 0.00 O ATOM 0 H TYR A 417 -1.443 1.071 0.335 1.00 0.00 H new ATOM 0 HA TYR A 417 -4.304 0.905 0.146 1.00 0.00 H new ATOM 0 HB2 TYR A 417 -4.583 -0.214 -1.822 1.00 0.00 H new ATOM 0 HB3 TYR A 417 -3.142 0.672 -2.279 1.00 0.00 H new ATOM 0 HD1 TYR A 417 -4.286 -2.622 -0.936 1.00 0.00 H new ATOM 0 HD2 TYR A 417 -1.168 -0.491 -2.911 1.00 0.00 H new ATOM 0 HE1 TYR A 417 -3.133 -4.738 -1.400 1.00 0.00 H new ATOM 0 HE2 TYR A 417 -0.018 -2.608 -3.379 1.00 0.00 H new ATOM 0 HH TYR A 417 -0.035 -4.806 -3.171 1.00 0.00 H new ATOM 206 N GLY A 418 -4.186 -1.046 1.589 1.00 0.00 N ATOM 207 CA GLY A 418 -4.125 -2.141 2.538 1.00 0.00 C ATOM 208 C GLY A 418 -3.527 -1.748 3.878 1.00 0.00 C ATOM 209 O GLY A 418 -2.997 -0.649 4.036 1.00 0.00 O ATOM 0 H GLY A 418 -5.073 -0.542 1.580 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -5.131 -2.530 2.698 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -3.535 -2.951 2.109 1.00 0.00 H new ATOM 213 N GLN A 419 -3.618 -2.660 4.845 1.00 0.00 N ATOM 214 CA GLN A 419 -3.089 -2.426 6.183 1.00 0.00 C ATOM 215 C GLN A 419 -3.186 -3.695 7.021 1.00 0.00 C ATOM 216 O GLN A 419 -4.265 -4.062 7.487 1.00 0.00 O ATOM 217 CB GLN A 419 -3.845 -1.287 6.866 1.00 0.00 C ATOM 218 CG GLN A 419 -3.059 -0.620 7.983 1.00 0.00 C ATOM 219 CD GLN A 419 -3.123 0.893 7.921 1.00 0.00 C ATOM 220 OE1 GLN A 419 -2.846 1.496 6.884 1.00 0.00 O ATOM 221 NE2 GLN A 419 -3.494 1.515 9.034 1.00 0.00 N ATOM 0 H GLN A 419 -4.057 -3.573 4.723 1.00 0.00 H new ATOM 0 HA GLN A 419 -2.040 -2.144 6.093 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -4.108 -0.537 6.120 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -4.780 -1.674 7.272 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -3.446 -0.957 8.945 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -2.018 -0.938 7.929 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -3.714 0.975 9.871 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -3.559 2.533 9.052 1.00 0.00 H new ATOM 230 N LYS A 420 -2.054 -4.364 7.202 1.00 0.00 N ATOM 231 CA LYS A 420 -2.012 -5.598 7.977 1.00 0.00 C ATOM 232 C LYS A 420 -0.844 -5.592 8.956 1.00 0.00 C ATOM 233 O LYS A 420 0.155 -4.911 8.739 1.00 0.00 O ATOM 234 CB LYS A 420 -1.905 -6.800 7.036 1.00 0.00 C ATOM 235 CG LYS A 420 -3.110 -7.722 7.090 1.00 0.00 C ATOM 236 CD LYS A 420 -2.775 -9.034 7.778 1.00 0.00 C ATOM 237 CE LYS A 420 -1.887 -9.907 6.907 1.00 0.00 C ATOM 238 NZ LYS A 420 -2.624 -11.081 6.373 1.00 0.00 N ATOM 0 H LYS A 420 -1.153 -4.073 6.823 1.00 0.00 H new ATOM 0 HA LYS A 420 -2.934 -5.672 8.553 1.00 0.00 H new ATOM 0 HB2 LYS A 420 -1.778 -6.441 6.015 1.00 0.00 H new ATOM 0 HB3 LYS A 420 -1.010 -7.370 7.288 1.00 0.00 H new ATOM 0 HG2 LYS A 420 -3.924 -7.229 7.621 1.00 0.00 H new ATOM 0 HG3 LYS A 420 -3.464 -7.920 6.078 1.00 0.00 H new ATOM 0 HD2 LYS A 420 -2.273 -8.832 8.724 1.00 0.00 H new ATOM 0 HD3 LYS A 420 -3.695 -9.569 8.013 1.00 0.00 H new ATOM 0 HE2 LYS A 420 -1.495 -9.316 6.079 1.00 0.00 H new ATOM 0 HE3 LYS A 420 -1.030 -10.249 7.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 -1.986 -11.653 5.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 -2.976 -11.658 7.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 -3.427 -10.755 5.798 1.00 0.00 H new ATOM 252 N VAL A 421 -0.978 -6.360 10.034 1.00 0.00 N ATOM 253 CA VAL A 421 0.069 -6.444 11.045 1.00 0.00 C ATOM 254 C VAL A 421 0.794 -7.784 10.973 1.00 0.00 C ATOM 255 O VAL A 421 0.188 -8.815 10.681 1.00 0.00 O ATOM 256 CB VAL A 421 -0.506 -6.252 12.463 1.00 0.00 C ATOM 257 CG1 VAL A 421 -1.528 -7.332 12.777 1.00 0.00 C ATOM 258 CG2 VAL A 421 0.610 -6.244 13.498 1.00 0.00 C ATOM 0 H VAL A 421 -1.800 -6.932 10.229 1.00 0.00 H new ATOM 0 HA VAL A 421 0.778 -5.642 10.839 1.00 0.00 H new ATOM 0 HB VAL A 421 -1.010 -5.286 12.501 1.00 0.00 H new ATOM 0 HG11 VAL A 421 -1.922 -7.179 13.782 1.00 0.00 H new ATOM 0 HG12 VAL A 421 -2.344 -7.282 12.056 1.00 0.00 H new ATOM 0 HG13 VAL A 421 -1.052 -8.311 12.719 1.00 0.00 H new ATOM 0 HG21 VAL A 421 0.184 -6.107 14.492 1.00 0.00 H new ATOM 0 HG22 VAL A 421 1.147 -7.192 13.461 1.00 0.00 H new ATOM 0 HG23 VAL A 421 1.299 -5.427 13.284 1.00 0.00 H new ATOM 268 N VAL A 422 2.097 -7.759 11.233 1.00 0.00 N ATOM 269 CA VAL A 422 2.908 -8.968 11.191 1.00 0.00 C ATOM 270 C VAL A 422 3.626 -9.203 12.516 1.00 0.00 C ATOM 271 O VAL A 422 4.108 -8.253 13.150 1.00 0.00 O ATOM 272 CB VAL A 422 3.960 -8.896 10.068 1.00 0.00 C ATOM 273 CG1 VAL A 422 3.297 -8.967 8.703 1.00 0.00 C ATOM 274 CG2 VAL A 422 4.790 -7.627 10.200 1.00 0.00 C ATOM 0 H VAL A 422 2.613 -6.913 11.475 1.00 0.00 H new ATOM 0 HA VAL A 422 2.225 -9.795 10.998 1.00 0.00 H new ATOM 0 HB VAL A 422 4.625 -9.754 10.164 1.00 0.00 H new ATOM 0 HG11 VAL A 422 4.059 -8.914 7.925 1.00 0.00 H new ATOM 0 HG12 VAL A 422 2.750 -9.906 8.612 1.00 0.00 H new ATOM 0 HG13 VAL A 422 2.605 -8.132 8.591 1.00 0.00 H new ATOM 0 HG21 VAL A 422 5.529 -7.591 9.399 1.00 0.00 H new ATOM 0 HG22 VAL A 422 4.137 -6.757 10.131 1.00 0.00 H new ATOM 0 HG23 VAL A 422 5.299 -7.624 11.164 1.00 0.00 H new ATOM 284 N LYS A 423 3.703 -10.477 12.921 1.00 0.00 N ATOM 285 CA LYS A 423 4.374 -10.857 14.158 1.00 0.00 C ATOM 286 C LYS A 423 5.881 -10.886 13.948 1.00 0.00 C ATOM 287 O LYS A 423 6.362 -10.600 12.851 1.00 0.00 O ATOM 288 CB LYS A 423 3.887 -12.228 14.634 1.00 0.00 C ATOM 289 CG LYS A 423 2.384 -12.300 14.849 1.00 0.00 C ATOM 290 CD LYS A 423 1.655 -12.636 13.559 1.00 0.00 C ATOM 291 CE LYS A 423 0.321 -13.310 13.834 1.00 0.00 C ATOM 292 NZ LYS A 423 -0.714 -12.916 12.837 1.00 0.00 N ATOM 0 H LYS A 423 3.305 -11.261 12.403 1.00 0.00 H new ATOM 0 HA LYS A 423 4.134 -10.117 14.922 1.00 0.00 H new ATOM 0 HB2 LYS A 423 4.177 -12.981 13.902 1.00 0.00 H new ATOM 0 HB3 LYS A 423 4.391 -12.479 15.567 1.00 0.00 H new ATOM 0 HG2 LYS A 423 2.159 -13.054 15.603 1.00 0.00 H new ATOM 0 HG3 LYS A 423 2.024 -11.346 15.234 1.00 0.00 H new ATOM 0 HD2 LYS A 423 1.492 -11.725 12.984 1.00 0.00 H new ATOM 0 HD3 LYS A 423 2.276 -13.291 12.949 1.00 0.00 H new ATOM 0 HE2 LYS A 423 0.450 -14.392 13.816 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -0.020 -13.046 14.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -1.610 -13.396 13.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -0.855 -11.886 12.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -0.400 -13.190 11.884 1.00 0.00 H new ATOM 306 N GLY A 424 6.631 -11.201 15.002 1.00 0.00 N ATOM 307 CA GLY A 424 8.081 -11.220 14.889 1.00 0.00 C ATOM 308 C GLY A 424 8.641 -9.831 14.618 1.00 0.00 C ATOM 309 O GLY A 424 9.849 -9.607 14.696 1.00 0.00 O ATOM 0 H GLY A 424 6.266 -11.441 15.924 1.00 0.00 H new ATOM 0 HA2 GLY A 424 8.513 -11.614 15.809 1.00 0.00 H new ATOM 0 HA3 GLY A 424 8.375 -11.895 14.085 1.00 0.00 H new ATOM 313 N ASN A 425 7.740 -8.904 14.308 1.00 0.00 N ATOM 314 CA ASN A 425 8.072 -7.522 14.024 1.00 0.00 C ATOM 315 C ASN A 425 6.826 -6.673 14.270 1.00 0.00 C ATOM 316 O ASN A 425 6.402 -5.917 13.398 1.00 0.00 O ATOM 317 CB ASN A 425 8.531 -7.373 12.569 1.00 0.00 C ATOM 318 CG ASN A 425 10.038 -7.311 12.429 1.00 0.00 C ATOM 319 OD1 ASN A 425 10.503 -6.585 11.419 1.00 0.00 O flip ATOM 320 ND2 ASN A 425 10.775 -7.912 13.210 1.00 0.00 N flip ATOM 0 H ASN A 425 6.741 -9.101 14.247 1.00 0.00 H new ATOM 0 HA ASN A 425 8.886 -7.194 14.671 1.00 0.00 H new ATOM 0 HB2 ASN A 425 8.151 -8.212 11.986 1.00 0.00 H new ATOM 0 HB3 ASN A 425 8.094 -6.468 12.147 1.00 0.00 H new ATOM 0 HD21 ASN A 425 10.373 -8.458 13.972 1.00 0.00 H new ATOM 0 HD22 ASN A 425 11.787 -7.864 13.095 1.00 0.00 H new ATOM 327 N PRO A 426 6.213 -6.821 15.469 1.00 0.00 N ATOM 328 CA PRO A 426 4.996 -6.116 15.878 1.00 0.00 C ATOM 329 C PRO A 426 4.787 -4.774 15.193 1.00 0.00 C ATOM 330 O PRO A 426 4.904 -3.722 15.822 1.00 0.00 O ATOM 331 CB PRO A 426 5.255 -5.926 17.365 1.00 0.00 C ATOM 332 CG PRO A 426 5.964 -7.174 17.782 1.00 0.00 C ATOM 333 CD PRO A 426 6.660 -7.719 16.551 1.00 0.00 C ATOM 0 HA PRO A 426 4.092 -6.666 15.618 1.00 0.00 H new ATOM 0 HB2 PRO A 426 5.864 -5.042 17.552 1.00 0.00 H new ATOM 0 HB3 PRO A 426 4.324 -5.795 17.917 1.00 0.00 H new ATOM 0 HG2 PRO A 426 6.685 -6.963 18.571 1.00 0.00 H new ATOM 0 HG3 PRO A 426 5.259 -7.903 18.181 1.00 0.00 H new ATOM 0 HD2 PRO A 426 7.744 -7.702 16.663 1.00 0.00 H new ATOM 0 HD3 PRO A 426 6.376 -8.753 16.356 1.00 0.00 H new ATOM 341 N TYR A 427 4.473 -4.811 13.904 1.00 0.00 N ATOM 342 CA TYR A 427 4.257 -3.576 13.153 1.00 0.00 C ATOM 343 C TYR A 427 3.359 -3.804 11.939 1.00 0.00 C ATOM 344 O TYR A 427 3.383 -4.871 11.327 1.00 0.00 O ATOM 345 CB TYR A 427 5.600 -2.992 12.702 1.00 0.00 C ATOM 346 CG TYR A 427 6.403 -2.354 13.818 1.00 0.00 C ATOM 347 CD1 TYR A 427 7.146 -3.129 14.705 1.00 0.00 C ATOM 348 CD2 TYR A 427 6.422 -0.974 13.981 1.00 0.00 C ATOM 349 CE1 TYR A 427 7.880 -2.546 15.719 1.00 0.00 C ATOM 350 CE2 TYR A 427 7.157 -0.385 14.993 1.00 0.00 C ATOM 351 CZ TYR A 427 7.884 -1.175 15.859 1.00 0.00 C ATOM 352 OH TYR A 427 8.615 -0.593 16.868 1.00 0.00 O ATOM 0 H TYR A 427 4.363 -5.668 13.361 1.00 0.00 H new ATOM 0 HA TYR A 427 3.755 -2.870 13.815 1.00 0.00 H new ATOM 0 HB2 TYR A 427 6.195 -3.785 12.248 1.00 0.00 H new ATOM 0 HB3 TYR A 427 5.418 -2.247 11.928 1.00 0.00 H new ATOM 0 HD1 TYR A 427 7.148 -4.204 14.598 1.00 0.00 H new ATOM 0 HD2 TYR A 427 5.853 -0.352 13.306 1.00 0.00 H new ATOM 0 HE1 TYR A 427 8.449 -3.162 16.400 1.00 0.00 H new ATOM 0 HE2 TYR A 427 7.162 0.689 15.105 1.00 0.00 H new ATOM 0 HH TYR A 427 8.320 0.333 16.994 1.00 0.00 H new ATOM 362 N PRO A 428 2.553 -2.790 11.575 1.00 0.00 N ATOM 363 CA PRO A 428 1.646 -2.870 10.432 1.00 0.00 C ATOM 364 C PRO A 428 2.349 -2.572 9.111 1.00 0.00 C ATOM 365 O PRO A 428 3.042 -1.563 8.980 1.00 0.00 O ATOM 366 CB PRO A 428 0.615 -1.789 10.743 1.00 0.00 C ATOM 367 CG PRO A 428 1.375 -0.754 11.502 1.00 0.00 C ATOM 368 CD PRO A 428 2.464 -1.480 12.252 1.00 0.00 C ATOM 0 HA PRO A 428 1.224 -3.867 10.307 1.00 0.00 H new ATOM 0 HB2 PRO A 428 0.186 -1.376 9.830 1.00 0.00 H new ATOM 0 HB3 PRO A 428 -0.211 -2.187 11.333 1.00 0.00 H new ATOM 0 HG2 PRO A 428 1.799 -0.012 10.826 1.00 0.00 H new ATOM 0 HG3 PRO A 428 0.720 -0.220 12.191 1.00 0.00 H new ATOM 0 HD2 PRO A 428 3.410 -0.941 12.203 1.00 0.00 H new ATOM 0 HD3 PRO A 428 2.215 -1.592 13.307 1.00 0.00 H new ATOM 376 N ARG A 429 2.166 -3.455 8.135 1.00 0.00 N ATOM 377 CA ARG A 429 2.782 -3.285 6.824 1.00 0.00 C ATOM 378 C ARG A 429 1.880 -2.472 5.900 1.00 0.00 C ATOM 379 O ARG A 429 0.668 -2.402 6.104 1.00 0.00 O ATOM 380 CB ARG A 429 3.077 -4.649 6.198 1.00 0.00 C ATOM 381 CG ARG A 429 4.230 -4.627 5.207 1.00 0.00 C ATOM 382 CD ARG A 429 3.851 -5.292 3.891 1.00 0.00 C ATOM 383 NE ARG A 429 4.197 -6.710 3.875 1.00 0.00 N ATOM 384 CZ ARG A 429 5.447 -7.167 3.831 1.00 0.00 C ATOM 385 NH1 ARG A 429 6.469 -6.321 3.812 1.00 0.00 N ATOM 386 NH2 ARG A 429 5.673 -8.473 3.814 1.00 0.00 N ATOM 0 H ARG A 429 1.596 -4.296 8.227 1.00 0.00 H new ATOM 0 HA ARG A 429 3.718 -2.743 6.956 1.00 0.00 H new ATOM 0 HB2 ARG A 429 3.304 -5.362 6.991 1.00 0.00 H new ATOM 0 HB3 ARG A 429 2.181 -5.009 5.692 1.00 0.00 H new ATOM 0 HG2 ARG A 429 4.531 -3.596 5.021 1.00 0.00 H new ATOM 0 HG3 ARG A 429 5.091 -5.137 5.638 1.00 0.00 H new ATOM 0 HD2 ARG A 429 2.780 -5.178 3.723 1.00 0.00 H new ATOM 0 HD3 ARG A 429 4.358 -4.786 3.070 1.00 0.00 H new ATOM 0 HE ARG A 429 3.437 -7.390 3.899 1.00 0.00 H new ATOM 0 HH11 ARG A 429 6.299 -5.315 3.831 1.00 0.00 H new ATOM 0 HH12 ARG A 429 7.425 -6.676 3.778 1.00 0.00 H new ATOM 0 HH21 ARG A 429 4.890 -9.126 3.835 1.00 0.00 H new ATOM 0 HH22 ARG A 429 6.630 -8.825 3.780 1.00 0.00 H new ATOM 400 N SER A 430 2.480 -1.862 4.884 1.00 0.00 N ATOM 401 CA SER A 430 1.731 -1.055 3.926 1.00 0.00 C ATOM 402 C SER A 430 2.139 -1.397 2.497 1.00 0.00 C ATOM 403 O SER A 430 3.311 -1.653 2.224 1.00 0.00 O ATOM 404 CB SER A 430 1.965 0.433 4.193 1.00 0.00 C ATOM 405 OG SER A 430 2.193 0.676 5.571 1.00 0.00 O ATOM 0 H SER A 430 3.482 -1.910 4.702 1.00 0.00 H new ATOM 0 HA SER A 430 0.671 -1.277 4.047 1.00 0.00 H new ATOM 0 HB2 SER A 430 2.821 0.779 3.613 1.00 0.00 H new ATOM 0 HB3 SER A 430 1.100 1.006 3.858 1.00 0.00 H new ATOM 0 HG SER A 430 2.341 1.634 5.714 1.00 0.00 H new ATOM 411 N TYR A 431 1.170 -1.397 1.586 1.00 0.00 N ATOM 412 CA TYR A 431 1.446 -1.707 0.188 1.00 0.00 C ATOM 413 C TYR A 431 1.152 -0.506 -0.704 1.00 0.00 C ATOM 414 O TYR A 431 -0.003 -0.120 -0.879 1.00 0.00 O ATOM 415 CB TYR A 431 0.613 -2.906 -0.268 1.00 0.00 C ATOM 416 CG TYR A 431 0.821 -4.150 0.567 1.00 0.00 C ATOM 417 CD1 TYR A 431 0.119 -4.345 1.750 1.00 0.00 C ATOM 418 CD2 TYR A 431 1.718 -5.134 0.168 1.00 0.00 C ATOM 419 CE1 TYR A 431 0.305 -5.482 2.512 1.00 0.00 C ATOM 420 CE2 TYR A 431 1.910 -6.274 0.925 1.00 0.00 C ATOM 421 CZ TYR A 431 1.201 -6.444 2.095 1.00 0.00 C ATOM 422 OH TYR A 431 1.389 -7.578 2.850 1.00 0.00 O ATOM 0 H TYR A 431 0.193 -1.187 1.789 1.00 0.00 H new ATOM 0 HA TYR A 431 2.504 -1.954 0.102 1.00 0.00 H new ATOM 0 HB2 TYR A 431 -0.442 -2.634 -0.241 1.00 0.00 H new ATOM 0 HB3 TYR A 431 0.857 -3.132 -1.306 1.00 0.00 H new ATOM 0 HD1 TYR A 431 -0.584 -3.595 2.080 1.00 0.00 H new ATOM 0 HD2 TYR A 431 2.274 -5.005 -0.749 1.00 0.00 H new ATOM 0 HE1 TYR A 431 -0.248 -5.617 3.430 1.00 0.00 H new ATOM 0 HE2 TYR A 431 2.612 -7.028 0.602 1.00 0.00 H new ATOM 0 HH TYR A 431 2.053 -8.154 2.416 1.00 0.00 H new ATOM 432 N TYR A 432 2.202 0.085 -1.266 1.00 0.00 N ATOM 433 CA TYR A 432 2.050 1.244 -2.138 1.00 0.00 C ATOM 434 C TYR A 432 2.066 0.821 -3.603 1.00 0.00 C ATOM 435 O TYR A 432 2.939 0.072 -4.032 1.00 0.00 O ATOM 436 CB TYR A 432 3.164 2.258 -1.876 1.00 0.00 C ATOM 437 CG TYR A 432 2.982 3.039 -0.594 1.00 0.00 C ATOM 438 CD1 TYR A 432 3.485 2.563 0.609 1.00 0.00 C ATOM 439 CD2 TYR A 432 2.303 4.250 -0.589 1.00 0.00 C ATOM 440 CE1 TYR A 432 3.319 3.274 1.783 1.00 0.00 C ATOM 441 CE2 TYR A 432 2.133 4.967 0.580 1.00 0.00 C ATOM 442 CZ TYR A 432 2.642 4.475 1.763 1.00 0.00 C ATOM 443 OH TYR A 432 2.475 5.186 2.929 1.00 0.00 O ATOM 0 H TYR A 432 3.166 -0.220 -1.133 1.00 0.00 H new ATOM 0 HA TYR A 432 1.089 1.710 -1.920 1.00 0.00 H new ATOM 0 HB2 TYR A 432 4.119 1.735 -1.840 1.00 0.00 H new ATOM 0 HB3 TYR A 432 3.214 2.955 -2.712 1.00 0.00 H new ATOM 0 HD1 TYR A 432 4.015 1.622 0.628 1.00 0.00 H new ATOM 0 HD2 TYR A 432 1.901 4.638 -1.513 1.00 0.00 H new ATOM 0 HE1 TYR A 432 3.717 2.891 2.711 1.00 0.00 H new ATOM 0 HE2 TYR A 432 1.604 5.908 0.567 1.00 0.00 H new ATOM 0 HH TYR A 432 1.978 6.009 2.742 1.00 0.00 H new ATOM 453 N LYS A 433 1.093 1.304 -4.364 1.00 0.00 N ATOM 454 CA LYS A 433 0.997 0.970 -5.780 1.00 0.00 C ATOM 455 C LYS A 433 1.139 2.213 -6.649 1.00 0.00 C ATOM 456 O LYS A 433 0.302 3.114 -6.593 1.00 0.00 O ATOM 457 CB LYS A 433 -0.346 0.298 -6.071 1.00 0.00 C ATOM 458 CG LYS A 433 -0.284 -1.217 -6.083 1.00 0.00 C ATOM 459 CD LYS A 433 -1.477 -1.813 -6.815 1.00 0.00 C ATOM 460 CE LYS A 433 -2.623 -2.115 -5.862 1.00 0.00 C ATOM 461 NZ LYS A 433 -2.779 -3.577 -5.628 1.00 0.00 N ATOM 0 H LYS A 433 0.360 1.927 -4.026 1.00 0.00 H new ATOM 0 HA LYS A 433 1.810 0.285 -6.018 1.00 0.00 H new ATOM 0 HB2 LYS A 433 -1.071 0.616 -5.322 1.00 0.00 H new ATOM 0 HB3 LYS A 433 -0.713 0.645 -7.037 1.00 0.00 H new ATOM 0 HG2 LYS A 433 0.639 -1.542 -6.563 1.00 0.00 H new ATOM 0 HG3 LYS A 433 -0.259 -1.590 -5.059 1.00 0.00 H new ATOM 0 HD2 LYS A 433 -1.816 -1.120 -7.585 1.00 0.00 H new ATOM 0 HD3 LYS A 433 -1.173 -2.729 -7.322 1.00 0.00 H new ATOM 0 HE2 LYS A 433 -2.447 -1.612 -4.911 1.00 0.00 H new ATOM 0 HE3 LYS A 433 -3.550 -1.711 -6.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 -3.784 -3.835 -5.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 -2.232 -4.103 -6.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 -2.430 -3.816 -4.678 1.00 0.00 H new ATOM 475 N CYS A 434 2.190 2.258 -7.463 1.00 0.00 N ATOM 476 CA CYS A 434 2.413 3.390 -8.349 1.00 0.00 C ATOM 477 C CYS A 434 1.438 3.341 -9.517 1.00 0.00 C ATOM 478 O CYS A 434 1.189 2.277 -10.085 1.00 0.00 O ATOM 479 CB CYS A 434 3.863 3.382 -8.862 1.00 0.00 C ATOM 480 SG CYS A 434 4.154 4.368 -10.357 1.00 0.00 S ATOM 0 H CYS A 434 2.897 1.525 -7.525 1.00 0.00 H new ATOM 0 HA CYS A 434 2.245 4.312 -7.793 1.00 0.00 H new ATOM 0 HB2 CYS A 434 4.515 3.750 -8.070 1.00 0.00 H new ATOM 0 HB3 CYS A 434 4.156 2.351 -9.062 1.00 0.00 H new ATOM 0 HG CYS A 434 5.290 4.990 -10.252 1.00 0.00 H new ATOM 485 N THR A 435 0.894 4.494 -9.875 1.00 0.00 N ATOM 486 CA THR A 435 -0.048 4.582 -10.979 1.00 0.00 C ATOM 487 C THR A 435 0.484 5.514 -12.057 1.00 0.00 C ATOM 488 O THR A 435 1.240 6.440 -11.766 1.00 0.00 O ATOM 489 CB THR A 435 -1.423 5.089 -10.507 1.00 0.00 C ATOM 490 OG1 THR A 435 -1.302 6.418 -9.987 1.00 0.00 O ATOM 491 CG2 THR A 435 -2.000 4.172 -9.440 1.00 0.00 C ATOM 0 H THR A 435 1.090 5.383 -9.416 1.00 0.00 H new ATOM 0 HA THR A 435 -0.167 3.578 -11.386 1.00 0.00 H new ATOM 0 HB THR A 435 -2.098 5.094 -11.363 1.00 0.00 H new ATOM 0 HG1 THR A 435 -2.181 6.734 -9.690 1.00 0.00 H new ATOM 0 HG21 THR A 435 -2.972 4.550 -9.122 1.00 0.00 H new ATOM 0 HG22 THR A 435 -2.117 3.168 -9.848 1.00 0.00 H new ATOM 0 HG23 THR A 435 -1.325 4.140 -8.584 1.00 0.00 H new ATOM 499 N THR A 436 0.083 5.277 -13.298 1.00 0.00 N ATOM 500 CA THR A 436 0.515 6.105 -14.409 1.00 0.00 C ATOM 501 C THR A 436 -0.181 5.665 -15.691 1.00 0.00 C ATOM 502 O THR A 436 -0.400 4.472 -15.898 1.00 0.00 O ATOM 503 CB THR A 436 2.043 6.034 -14.610 1.00 0.00 C ATOM 504 OG1 THR A 436 2.602 5.021 -13.766 1.00 0.00 O ATOM 505 CG2 THR A 436 2.694 7.372 -14.300 1.00 0.00 C ATOM 0 H THR A 436 -0.543 4.515 -13.559 1.00 0.00 H new ATOM 0 HA THR A 436 0.247 7.135 -14.174 1.00 0.00 H new ATOM 0 HB THR A 436 2.237 5.787 -15.654 1.00 0.00 H new ATOM 0 HG1 THR A 436 3.551 5.211 -13.612 1.00 0.00 H new ATOM 0 HG21 THR A 436 3.771 7.296 -14.449 1.00 0.00 H new ATOM 0 HG22 THR A 436 2.289 8.136 -14.963 1.00 0.00 H new ATOM 0 HG23 THR A 436 2.490 7.645 -13.265 1.00 0.00 H new ATOM 513 N PRO A 437 -0.541 6.616 -16.569 1.00 0.00 N ATOM 514 CA PRO A 437 -1.215 6.301 -17.831 1.00 0.00 C ATOM 515 C PRO A 437 -0.414 5.309 -18.665 1.00 0.00 C ATOM 516 O PRO A 437 0.298 5.695 -19.591 1.00 0.00 O ATOM 517 CB PRO A 437 -1.313 7.657 -18.547 1.00 0.00 C ATOM 518 CG PRO A 437 -0.371 8.559 -17.822 1.00 0.00 C ATOM 519 CD PRO A 437 -0.324 8.059 -16.409 1.00 0.00 C ATOM 0 HA PRO A 437 -2.185 5.831 -17.671 1.00 0.00 H new ATOM 0 HB2 PRO A 437 -1.039 7.567 -19.598 1.00 0.00 H new ATOM 0 HB3 PRO A 437 -2.331 8.045 -18.515 1.00 0.00 H new ATOM 0 HG2 PRO A 437 0.619 8.536 -18.277 1.00 0.00 H new ATOM 0 HG3 PRO A 437 -0.715 9.593 -17.859 1.00 0.00 H new ATOM 0 HD2 PRO A 437 0.634 8.274 -15.935 1.00 0.00 H new ATOM 0 HD3 PRO A 437 -1.096 8.518 -15.791 1.00 0.00 H new ATOM 527 N GLY A 438 -0.529 4.030 -18.320 1.00 0.00 N ATOM 528 CA GLY A 438 0.196 2.999 -19.037 1.00 0.00 C ATOM 529 C GLY A 438 1.222 2.292 -18.167 1.00 0.00 C ATOM 530 O GLY A 438 1.950 1.421 -18.647 1.00 0.00 O ATOM 0 H GLY A 438 -1.112 3.690 -17.556 1.00 0.00 H new ATOM 0 HA2 GLY A 438 -0.511 2.267 -19.426 1.00 0.00 H new ATOM 0 HA3 GLY A 438 0.698 3.444 -19.896 1.00 0.00 H new ATOM 534 N CYS A 439 1.294 2.665 -16.887 1.00 0.00 N ATOM 535 CA CYS A 439 2.251 2.051 -15.971 1.00 0.00 C ATOM 536 C CYS A 439 1.611 1.716 -14.625 1.00 0.00 C ATOM 537 O CYS A 439 0.665 2.377 -14.181 1.00 0.00 O ATOM 538 CB CYS A 439 3.453 2.978 -15.767 1.00 0.00 C ATOM 539 SG CYS A 439 4.484 2.587 -14.326 1.00 0.00 S ATOM 0 H CYS A 439 0.705 3.384 -16.466 1.00 0.00 H new ATOM 0 HA CYS A 439 2.587 1.116 -16.420 1.00 0.00 H new ATOM 0 HB2 CYS A 439 4.076 2.944 -16.661 1.00 0.00 H new ATOM 0 HB3 CYS A 439 3.091 4.002 -15.670 1.00 0.00 H new ATOM 0 HG CYS A 439 4.865 3.690 -13.753 1.00 0.00 H new ATOM 544 N GLY A 440 2.157 0.687 -13.982 1.00 0.00 N ATOM 545 CA GLY A 440 1.666 0.254 -12.687 1.00 0.00 C ATOM 546 C GLY A 440 2.674 -0.615 -11.954 1.00 0.00 C ATOM 547 O GLY A 440 2.834 -1.792 -12.271 1.00 0.00 O ATOM 0 H GLY A 440 2.940 0.141 -14.341 1.00 0.00 H new ATOM 0 HA2 GLY A 440 1.431 1.127 -12.079 1.00 0.00 H new ATOM 0 HA3 GLY A 440 0.738 -0.302 -12.819 1.00 0.00 H new ATOM 551 N VAL A 441 3.352 -0.031 -10.970 1.00 0.00 N ATOM 552 CA VAL A 441 4.347 -0.755 -10.183 1.00 0.00 C ATOM 553 C VAL A 441 3.941 -0.782 -8.716 1.00 0.00 C ATOM 554 O VAL A 441 3.203 0.087 -8.258 1.00 0.00 O ATOM 555 CB VAL A 441 5.745 -0.106 -10.318 1.00 0.00 C ATOM 556 CG1 VAL A 441 6.671 -0.534 -9.184 1.00 0.00 C ATOM 557 CG2 VAL A 441 6.357 -0.454 -11.661 1.00 0.00 C ATOM 0 H VAL A 441 3.230 0.944 -10.698 1.00 0.00 H new ATOM 0 HA VAL A 441 4.397 -1.774 -10.566 1.00 0.00 H new ATOM 0 HB VAL A 441 5.620 0.975 -10.254 1.00 0.00 H new ATOM 0 HG11 VAL A 441 7.644 -0.060 -9.310 1.00 0.00 H new ATOM 0 HG12 VAL A 441 6.241 -0.231 -8.229 1.00 0.00 H new ATOM 0 HG13 VAL A 441 6.791 -1.617 -9.201 1.00 0.00 H new ATOM 0 HG21 VAL A 441 7.340 0.009 -11.744 1.00 0.00 H new ATOM 0 HG22 VAL A 441 6.457 -1.536 -11.746 1.00 0.00 H new ATOM 0 HG23 VAL A 441 5.714 -0.085 -12.460 1.00 0.00 H new ATOM 567 N ARG A 442 4.417 -1.779 -7.976 1.00 0.00 N ATOM 568 CA ARG A 442 4.083 -1.892 -6.562 1.00 0.00 C ATOM 569 C ARG A 442 5.318 -1.691 -5.689 1.00 0.00 C ATOM 570 O ARG A 442 6.436 -2.025 -6.083 1.00 0.00 O ATOM 571 CB ARG A 442 3.464 -3.261 -6.269 1.00 0.00 C ATOM 572 CG ARG A 442 2.328 -3.632 -7.208 1.00 0.00 C ATOM 573 CD ARG A 442 1.154 -4.235 -6.453 1.00 0.00 C ATOM 574 NE ARG A 442 1.276 -5.684 -6.315 1.00 0.00 N ATOM 575 CZ ARG A 442 1.121 -6.539 -7.322 1.00 0.00 C ATOM 576 NH1 ARG A 442 0.846 -6.095 -8.543 1.00 0.00 N ATOM 577 NH2 ARG A 442 1.241 -7.842 -7.111 1.00 0.00 N ATOM 0 H ARG A 442 5.030 -2.514 -8.329 1.00 0.00 H new ATOM 0 HA ARG A 442 3.360 -1.111 -6.326 1.00 0.00 H new ATOM 0 HB2 ARG A 442 4.241 -4.023 -6.334 1.00 0.00 H new ATOM 0 HB3 ARG A 442 3.094 -3.271 -5.244 1.00 0.00 H new ATOM 0 HG2 ARG A 442 1.997 -2.745 -7.748 1.00 0.00 H new ATOM 0 HG3 ARG A 442 2.687 -4.343 -7.952 1.00 0.00 H new ATOM 0 HD2 ARG A 442 1.088 -3.781 -5.464 1.00 0.00 H new ATOM 0 HD3 ARG A 442 0.227 -3.998 -6.975 1.00 0.00 H new ATOM 0 HE ARG A 442 1.493 -6.062 -5.393 1.00 0.00 H new ATOM 0 HH11 ARG A 442 0.753 -5.094 -8.712 1.00 0.00 H new ATOM 0 HH12 ARG A 442 0.728 -6.755 -9.311 1.00 0.00 H new ATOM 0 HH21 ARG A 442 1.452 -8.190 -6.176 1.00 0.00 H new ATOM 0 HH22 ARG A 442 1.122 -8.497 -7.884 1.00 0.00 H new ATOM 591 N LYS A 443 5.101 -1.142 -4.500 1.00 0.00 N ATOM 592 CA LYS A 443 6.179 -0.888 -3.554 1.00 0.00 C ATOM 593 C LYS A 443 5.724 -1.238 -2.140 1.00 0.00 C ATOM 594 O LYS A 443 4.599 -0.926 -1.747 1.00 0.00 O ATOM 595 CB LYS A 443 6.608 0.581 -3.633 1.00 0.00 C ATOM 596 CG LYS A 443 7.580 1.009 -2.547 1.00 0.00 C ATOM 597 CD LYS A 443 8.155 2.388 -2.835 1.00 0.00 C ATOM 598 CE LYS A 443 7.481 3.462 -1.995 1.00 0.00 C ATOM 599 NZ LYS A 443 8.149 4.785 -2.145 1.00 0.00 N ATOM 0 H LYS A 443 4.179 -0.862 -4.166 1.00 0.00 H new ATOM 0 HA LYS A 443 7.034 -1.514 -3.808 1.00 0.00 H new ATOM 0 HB2 LYS A 443 7.066 0.762 -4.606 1.00 0.00 H new ATOM 0 HB3 LYS A 443 5.720 1.210 -3.577 1.00 0.00 H new ATOM 0 HG2 LYS A 443 7.071 1.018 -1.583 1.00 0.00 H new ATOM 0 HG3 LYS A 443 8.389 0.283 -2.473 1.00 0.00 H new ATOM 0 HD2 LYS A 443 9.226 2.386 -2.633 1.00 0.00 H new ATOM 0 HD3 LYS A 443 8.031 2.621 -3.893 1.00 0.00 H new ATOM 0 HE2 LYS A 443 6.435 3.548 -2.288 1.00 0.00 H new ATOM 0 HE3 LYS A 443 7.495 3.165 -0.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 7.660 5.490 -1.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 9.141 4.709 -1.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 8.113 5.081 -3.141 1.00 0.00 H new ATOM 613 N HIS A 444 6.596 -1.895 -1.382 1.00 0.00 N ATOM 614 CA HIS A 444 6.264 -2.292 -0.017 1.00 0.00 C ATOM 615 C HIS A 444 7.097 -1.515 0.993 1.00 0.00 C ATOM 616 O HIS A 444 8.267 -1.215 0.752 1.00 0.00 O ATOM 617 CB HIS A 444 6.488 -3.796 0.180 1.00 0.00 C ATOM 618 CG HIS A 444 6.386 -4.602 -1.079 1.00 0.00 C ATOM 619 ND1 HIS A 444 7.326 -5.540 -1.450 1.00 0.00 N ATOM 620 CD2 HIS A 444 5.447 -4.607 -2.057 1.00 0.00 C ATOM 621 CE1 HIS A 444 6.972 -6.086 -2.600 1.00 0.00 C ATOM 622 NE2 HIS A 444 5.837 -5.538 -2.990 1.00 0.00 N ATOM 0 H HIS A 444 7.532 -2.163 -1.686 1.00 0.00 H new ATOM 0 HA HIS A 444 5.211 -2.065 0.147 1.00 0.00 H new ATOM 0 HB2 HIS A 444 7.474 -3.951 0.618 1.00 0.00 H new ATOM 0 HB3 HIS A 444 5.758 -4.170 0.898 1.00 0.00 H new ATOM 0 HD2 HIS A 444 4.559 -3.994 -2.096 1.00 0.00 H new ATOM 0 HE1 HIS A 444 7.519 -6.851 -3.131 1.00 0.00 H new ATOM 0 HE2 HIS A 444 5.331 -5.768 -3.845 1.00 0.00 H new ATOM 631 N VAL A 445 6.489 -1.194 2.131 1.00 0.00 N ATOM 632 CA VAL A 445 7.174 -0.455 3.182 1.00 0.00 C ATOM 633 C VAL A 445 6.995 -1.136 4.534 1.00 0.00 C ATOM 634 O VAL A 445 5.871 -1.332 4.998 1.00 0.00 O ATOM 635 CB VAL A 445 6.657 0.993 3.275 1.00 0.00 C ATOM 636 CG1 VAL A 445 7.457 1.787 4.297 1.00 0.00 C ATOM 637 CG2 VAL A 445 6.706 1.667 1.911 1.00 0.00 C ATOM 0 H VAL A 445 5.522 -1.435 2.347 1.00 0.00 H new ATOM 0 HA VAL A 445 8.233 -0.439 2.924 1.00 0.00 H new ATOM 0 HB VAL A 445 5.619 0.964 3.606 1.00 0.00 H new ATOM 0 HG11 VAL A 445 7.075 2.807 4.346 1.00 0.00 H new ATOM 0 HG12 VAL A 445 7.364 1.317 5.276 1.00 0.00 H new ATOM 0 HG13 VAL A 445 8.506 1.807 4.002 1.00 0.00 H new ATOM 0 HG21 VAL A 445 6.337 2.689 1.997 1.00 0.00 H new ATOM 0 HG22 VAL A 445 7.734 1.682 1.549 1.00 0.00 H new ATOM 0 HG23 VAL A 445 6.082 1.114 1.209 1.00 0.00 H new ATOM 647 N GLU A 446 8.110 -1.501 5.159 1.00 0.00 N ATOM 648 CA GLU A 446 8.080 -2.167 6.455 1.00 0.00 C ATOM 649 C GLU A 446 9.071 -1.519 7.417 1.00 0.00 C ATOM 650 O GLU A 446 10.082 -0.957 6.996 1.00 0.00 O ATOM 651 CB GLU A 446 8.411 -3.652 6.288 1.00 0.00 C ATOM 652 CG GLU A 446 7.614 -4.566 7.206 1.00 0.00 C ATOM 653 CD GLU A 446 7.558 -5.997 6.705 1.00 0.00 C ATOM 654 OE1 GLU A 446 8.251 -6.307 5.713 1.00 0.00 O ATOM 655 OE2 GLU A 446 6.823 -6.809 7.305 1.00 0.00 O ATOM 0 H GLU A 446 9.047 -1.346 4.787 1.00 0.00 H new ATOM 0 HA GLU A 446 7.077 -2.067 6.871 1.00 0.00 H new ATOM 0 HB2 GLU A 446 8.227 -3.942 5.253 1.00 0.00 H new ATOM 0 HB3 GLU A 446 9.474 -3.801 6.476 1.00 0.00 H new ATOM 0 HG2 GLU A 446 8.058 -4.551 8.201 1.00 0.00 H new ATOM 0 HG3 GLU A 446 6.599 -4.180 7.304 1.00 0.00 H new ATOM 662 N ARG A 447 8.778 -1.602 8.710 1.00 0.00 N ATOM 663 CA ARG A 447 9.649 -1.027 9.726 1.00 0.00 C ATOM 664 C ARG A 447 10.461 -2.117 10.418 1.00 0.00 C ATOM 665 O ARG A 447 10.152 -3.302 10.300 1.00 0.00 O ATOM 666 CB ARG A 447 8.825 -0.254 10.756 1.00 0.00 C ATOM 667 CG ARG A 447 8.485 1.164 10.323 1.00 0.00 C ATOM 668 CD ARG A 447 7.021 1.495 10.571 1.00 0.00 C ATOM 669 NE ARG A 447 6.291 1.721 9.327 1.00 0.00 N ATOM 670 CZ ARG A 447 6.329 2.861 8.640 1.00 0.00 C ATOM 671 NH1 ARG A 447 7.070 3.876 9.066 1.00 0.00 N ATOM 672 NH2 ARG A 447 5.625 2.984 7.525 1.00 0.00 N ATOM 0 H ARG A 447 7.945 -2.061 9.078 1.00 0.00 H new ATOM 0 HA ARG A 447 10.338 -0.339 9.236 1.00 0.00 H new ATOM 0 HB2 ARG A 447 7.900 -0.797 10.951 1.00 0.00 H new ATOM 0 HB3 ARG A 447 9.376 -0.216 11.696 1.00 0.00 H new ATOM 0 HG2 ARG A 447 9.114 1.870 10.865 1.00 0.00 H new ATOM 0 HG3 ARG A 447 8.710 1.284 9.263 1.00 0.00 H new ATOM 0 HD2 ARG A 447 6.554 0.679 11.122 1.00 0.00 H new ATOM 0 HD3 ARG A 447 6.952 2.384 11.198 1.00 0.00 H new ATOM 0 HE ARG A 447 5.718 0.960 8.962 1.00 0.00 H new ATOM 0 HH11 ARG A 447 7.614 3.785 9.924 1.00 0.00 H new ATOM 0 HH12 ARG A 447 7.095 4.747 8.536 1.00 0.00 H new ATOM 0 HH21 ARG A 447 5.055 2.206 7.194 1.00 0.00 H new ATOM 0 HH22 ARG A 447 5.653 3.857 6.998 1.00 0.00 H new ATOM 686 N ALA A 448 11.501 -1.710 11.137 1.00 0.00 N ATOM 687 CA ALA A 448 12.354 -2.656 11.844 1.00 0.00 C ATOM 688 C ALA A 448 11.985 -2.731 13.322 1.00 0.00 C ATOM 689 O ALA A 448 12.049 -1.733 14.040 1.00 0.00 O ATOM 690 CB ALA A 448 13.816 -2.272 11.676 1.00 0.00 C ATOM 0 H ALA A 448 11.773 -0.733 11.245 1.00 0.00 H new ATOM 0 HA ALA A 448 12.199 -3.644 11.411 1.00 0.00 H new ATOM 0 HB1 ALA A 448 14.443 -2.986 12.209 1.00 0.00 H new ATOM 0 HB2 ALA A 448 14.075 -2.281 10.617 1.00 0.00 H new ATOM 0 HB3 ALA A 448 13.979 -1.273 12.081 1.00 0.00 H new ATOM 696 N ALA A 449 11.592 -3.923 13.766 1.00 0.00 N ATOM 697 CA ALA A 449 11.199 -4.145 15.157 1.00 0.00 C ATOM 698 C ALA A 449 12.158 -3.465 16.132 1.00 0.00 C ATOM 699 O ALA A 449 11.731 -2.739 17.030 1.00 0.00 O ATOM 700 CB ALA A 449 11.120 -5.636 15.448 1.00 0.00 C ATOM 0 H ALA A 449 11.537 -4.755 13.179 1.00 0.00 H new ATOM 0 HA ALA A 449 10.215 -3.699 15.299 1.00 0.00 H new ATOM 0 HB1 ALA A 449 10.827 -5.789 16.487 1.00 0.00 H new ATOM 0 HB2 ALA A 449 10.382 -6.096 14.791 1.00 0.00 H new ATOM 0 HB3 ALA A 449 12.095 -6.093 15.275 1.00 0.00 H new ATOM 706 N THR A 450 13.454 -3.710 15.958 1.00 0.00 N ATOM 707 CA THR A 450 14.467 -3.126 16.832 1.00 0.00 C ATOM 708 C THR A 450 14.893 -1.736 16.359 1.00 0.00 C ATOM 709 O THR A 450 15.976 -1.262 16.703 1.00 0.00 O ATOM 710 CB THR A 450 15.712 -4.026 16.922 1.00 0.00 C ATOM 711 OG1 THR A 450 15.818 -4.838 15.747 1.00 0.00 O ATOM 712 CG2 THR A 450 15.647 -4.917 18.153 1.00 0.00 C ATOM 0 H THR A 450 13.827 -4.308 15.221 1.00 0.00 H new ATOM 0 HA THR A 450 14.010 -3.038 17.818 1.00 0.00 H new ATOM 0 HB THR A 450 16.590 -3.385 17.001 1.00 0.00 H new ATOM 0 HG1 THR A 450 16.614 -5.406 15.813 1.00 0.00 H new ATOM 0 HG21 THR A 450 16.537 -5.544 18.196 1.00 0.00 H new ATOM 0 HG22 THR A 450 15.596 -4.297 19.048 1.00 0.00 H new ATOM 0 HG23 THR A 450 14.760 -5.549 18.098 1.00 0.00 H new ATOM 720 N ASP A 451 14.039 -1.081 15.575 1.00 0.00 N ATOM 721 CA ASP A 451 14.338 0.254 15.069 1.00 0.00 C ATOM 722 C ASP A 451 13.139 0.827 14.319 1.00 0.00 C ATOM 723 O ASP A 451 13.056 0.730 13.095 1.00 0.00 O ATOM 724 CB ASP A 451 15.561 0.215 14.150 1.00 0.00 C ATOM 725 CG ASP A 451 16.341 1.515 14.174 1.00 0.00 C ATOM 726 OD1 ASP A 451 16.129 2.319 15.106 1.00 0.00 O ATOM 727 OD2 ASP A 451 17.165 1.730 13.260 1.00 0.00 O ATOM 0 H ASP A 451 13.137 -1.453 15.278 1.00 0.00 H new ATOM 0 HA ASP A 451 14.557 0.899 15.920 1.00 0.00 H new ATOM 0 HB2 ASP A 451 16.214 -0.604 14.453 1.00 0.00 H new ATOM 0 HB3 ASP A 451 15.239 0.006 13.130 1.00 0.00 H new ATOM 732 N PRO A 452 12.189 1.436 15.049 1.00 0.00 N ATOM 733 CA PRO A 452 10.987 2.026 14.452 1.00 0.00 C ATOM 734 C PRO A 452 11.309 3.157 13.480 1.00 0.00 C ATOM 735 O PRO A 452 10.464 3.557 12.679 1.00 0.00 O ATOM 736 CB PRO A 452 10.205 2.568 15.658 1.00 0.00 C ATOM 737 CG PRO A 452 10.768 1.858 16.841 1.00 0.00 C ATOM 738 CD PRO A 452 12.208 1.592 16.513 1.00 0.00 C ATOM 0 HA PRO A 452 10.434 1.293 13.864 1.00 0.00 H new ATOM 0 HB2 PRO A 452 10.326 3.647 15.753 1.00 0.00 H new ATOM 0 HB3 PRO A 452 9.137 2.374 15.554 1.00 0.00 H new ATOM 0 HG2 PRO A 452 10.678 2.466 17.741 1.00 0.00 H new ATOM 0 HG3 PRO A 452 10.232 0.928 17.030 1.00 0.00 H new ATOM 0 HD2 PRO A 452 12.852 2.415 16.823 1.00 0.00 H new ATOM 0 HD3 PRO A 452 12.576 0.695 17.010 1.00 0.00 H new ATOM 746 N LYS A 453 12.533 3.674 13.555 1.00 0.00 N ATOM 747 CA LYS A 453 12.953 4.761 12.679 1.00 0.00 C ATOM 748 C LYS A 453 13.505 4.230 11.357 1.00 0.00 C ATOM 749 O LYS A 453 13.604 4.969 10.377 1.00 0.00 O ATOM 750 CB LYS A 453 13.999 5.638 13.377 1.00 0.00 C ATOM 751 CG LYS A 453 15.386 5.015 13.445 1.00 0.00 C ATOM 752 CD LYS A 453 16.420 6.019 13.930 1.00 0.00 C ATOM 753 CE LYS A 453 16.569 5.977 15.442 1.00 0.00 C ATOM 754 NZ LYS A 453 17.111 4.673 15.910 1.00 0.00 N ATOM 0 H LYS A 453 13.248 3.358 14.211 1.00 0.00 H new ATOM 0 HA LYS A 453 12.075 5.367 12.457 1.00 0.00 H new ATOM 0 HB2 LYS A 453 14.066 6.592 12.853 1.00 0.00 H new ATOM 0 HB3 LYS A 453 13.659 5.854 14.390 1.00 0.00 H new ATOM 0 HG2 LYS A 453 15.368 4.156 14.115 1.00 0.00 H new ATOM 0 HG3 LYS A 453 15.669 4.645 12.460 1.00 0.00 H new ATOM 0 HD2 LYS A 453 17.382 5.808 13.462 1.00 0.00 H new ATOM 0 HD3 LYS A 453 16.128 7.022 13.620 1.00 0.00 H new ATOM 0 HE2 LYS A 453 17.230 6.782 15.764 1.00 0.00 H new ATOM 0 HE3 LYS A 453 15.600 6.155 15.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 17.388 4.751 16.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 16.382 3.938 15.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 17.942 4.418 15.339 1.00 0.00 H new ATOM 768 N ALA A 454 13.861 2.948 11.330 1.00 0.00 N ATOM 769 CA ALA A 454 14.398 2.333 10.121 1.00 0.00 C ATOM 770 C ALA A 454 13.277 1.746 9.271 1.00 0.00 C ATOM 771 O ALA A 454 12.518 0.891 9.728 1.00 0.00 O ATOM 772 CB ALA A 454 15.410 1.256 10.480 1.00 0.00 C ATOM 0 H ALA A 454 13.787 2.318 12.129 1.00 0.00 H new ATOM 0 HA ALA A 454 14.901 3.105 9.538 1.00 0.00 H new ATOM 0 HB1 ALA A 454 15.802 0.806 9.568 1.00 0.00 H new ATOM 0 HB2 ALA A 454 16.229 1.700 11.046 1.00 0.00 H new ATOM 0 HB3 ALA A 454 14.926 0.489 11.084 1.00 0.00 H new ATOM 778 N VAL A 455 13.176 2.211 8.030 1.00 0.00 N ATOM 779 CA VAL A 455 12.143 1.732 7.120 1.00 0.00 C ATOM 780 C VAL A 455 12.748 1.007 5.923 1.00 0.00 C ATOM 781 O VAL A 455 13.805 1.386 5.421 1.00 0.00 O ATOM 782 CB VAL A 455 11.263 2.890 6.611 1.00 0.00 C ATOM 783 CG1 VAL A 455 10.100 2.358 5.787 1.00 0.00 C ATOM 784 CG2 VAL A 455 10.761 3.731 7.775 1.00 0.00 C ATOM 0 H VAL A 455 13.795 2.917 7.633 1.00 0.00 H new ATOM 0 HA VAL A 455 11.526 1.034 7.687 1.00 0.00 H new ATOM 0 HB VAL A 455 11.871 3.527 5.968 1.00 0.00 H new ATOM 0 HG11 VAL A 455 9.491 3.191 5.437 1.00 0.00 H new ATOM 0 HG12 VAL A 455 10.484 1.804 4.930 1.00 0.00 H new ATOM 0 HG13 VAL A 455 9.490 1.696 6.403 1.00 0.00 H new ATOM 0 HG21 VAL A 455 10.141 4.544 7.396 1.00 0.00 H new ATOM 0 HG22 VAL A 455 10.171 3.107 8.446 1.00 0.00 H new ATOM 0 HG23 VAL A 455 11.611 4.145 8.318 1.00 0.00 H new ATOM 794 N VAL A 456 12.061 -0.036 5.468 1.00 0.00 N ATOM 795 CA VAL A 456 12.517 -0.816 4.325 1.00 0.00 C ATOM 796 C VAL A 456 11.613 -0.571 3.118 1.00 0.00 C ATOM 797 O VAL A 456 10.403 -0.412 3.267 1.00 0.00 O ATOM 798 CB VAL A 456 12.559 -2.325 4.651 1.00 0.00 C ATOM 799 CG1 VAL A 456 13.251 -2.563 5.986 1.00 0.00 C ATOM 800 CG2 VAL A 456 11.156 -2.922 4.662 1.00 0.00 C ATOM 0 H VAL A 456 11.184 -0.361 5.875 1.00 0.00 H new ATOM 0 HA VAL A 456 13.530 -0.491 4.088 1.00 0.00 H new ATOM 0 HB VAL A 456 13.132 -2.824 3.869 1.00 0.00 H new ATOM 0 HG11 VAL A 456 13.272 -3.632 6.200 1.00 0.00 H new ATOM 0 HG12 VAL A 456 14.271 -2.182 5.940 1.00 0.00 H new ATOM 0 HG13 VAL A 456 12.706 -2.046 6.776 1.00 0.00 H new ATOM 0 HG21 VAL A 456 11.215 -3.985 4.894 1.00 0.00 H new ATOM 0 HG22 VAL A 456 10.552 -2.419 5.417 1.00 0.00 H new ATOM 0 HG23 VAL A 456 10.696 -2.789 3.683 1.00 0.00 H new ATOM 810 N THR A 457 12.202 -0.533 1.928 1.00 0.00 N ATOM 811 CA THR A 457 11.432 -0.295 0.712 1.00 0.00 C ATOM 812 C THR A 457 11.785 -1.294 -0.385 1.00 0.00 C ATOM 813 O THR A 457 12.945 -1.420 -0.777 1.00 0.00 O ATOM 814 CB THR A 457 11.652 1.132 0.181 1.00 0.00 C ATOM 815 OG1 THR A 457 12.229 1.954 1.205 1.00 0.00 O ATOM 816 CG2 THR A 457 10.339 1.744 -0.282 1.00 0.00 C ATOM 0 H THR A 457 13.203 -0.663 1.779 1.00 0.00 H new ATOM 0 HA THR A 457 10.383 -0.422 0.980 1.00 0.00 H new ATOM 0 HB THR A 457 12.332 1.078 -0.669 1.00 0.00 H new ATOM 0 HG1 THR A 457 12.367 2.860 0.858 1.00 0.00 H new ATOM 0 HG21 THR A 457 10.519 2.753 -0.653 1.00 0.00 H new ATOM 0 HG22 THR A 457 9.914 1.134 -1.079 1.00 0.00 H new ATOM 0 HG23 THR A 457 9.641 1.784 0.555 1.00 0.00 H new ATOM 824 N THR A 458 10.770 -1.996 -0.883 1.00 0.00 N ATOM 825 CA THR A 458 10.965 -2.980 -1.941 1.00 0.00 C ATOM 826 C THR A 458 10.189 -2.592 -3.197 1.00 0.00 C ATOM 827 O THR A 458 8.986 -2.340 -3.140 1.00 0.00 O ATOM 828 CB THR A 458 10.517 -4.382 -1.490 1.00 0.00 C ATOM 829 OG1 THR A 458 10.745 -4.544 -0.084 1.00 0.00 O ATOM 830 CG2 THR A 458 11.265 -5.462 -2.257 1.00 0.00 C ATOM 0 H THR A 458 9.804 -1.901 -0.570 1.00 0.00 H new ATOM 0 HA THR A 458 12.032 -3.001 -2.165 1.00 0.00 H new ATOM 0 HB THR A 458 9.452 -4.481 -1.698 1.00 0.00 H new ATOM 0 HG1 THR A 458 10.455 -5.438 0.193 1.00 0.00 H new ATOM 0 HG21 THR A 458 10.932 -6.444 -1.921 1.00 0.00 H new ATOM 0 HG22 THR A 458 11.065 -5.356 -3.323 1.00 0.00 H new ATOM 0 HG23 THR A 458 12.335 -5.361 -2.077 1.00 0.00 H new ATOM 838 N TYR A 459 10.883 -2.546 -4.330 1.00 0.00 N ATOM 839 CA TYR A 459 10.257 -2.188 -5.597 1.00 0.00 C ATOM 840 C TYR A 459 10.055 -3.419 -6.475 1.00 0.00 C ATOM 841 O TYR A 459 11.005 -4.140 -6.779 1.00 0.00 O ATOM 842 CB TYR A 459 11.110 -1.158 -6.340 1.00 0.00 C ATOM 843 CG TYR A 459 11.125 0.206 -5.687 1.00 0.00 C ATOM 844 CD1 TYR A 459 10.062 1.087 -5.851 1.00 0.00 C ATOM 845 CD2 TYR A 459 12.202 0.614 -4.911 1.00 0.00 C ATOM 846 CE1 TYR A 459 10.075 2.337 -5.258 1.00 0.00 C ATOM 847 CE2 TYR A 459 12.221 1.860 -4.315 1.00 0.00 C ATOM 848 CZ TYR A 459 11.156 2.718 -4.492 1.00 0.00 C ATOM 849 OH TYR A 459 11.171 3.959 -3.901 1.00 0.00 O ATOM 0 H TYR A 459 11.880 -2.752 -4.396 1.00 0.00 H new ATOM 0 HA TYR A 459 9.281 -1.755 -5.378 1.00 0.00 H new ATOM 0 HB2 TYR A 459 12.133 -1.529 -6.409 1.00 0.00 H new ATOM 0 HB3 TYR A 459 10.737 -1.059 -7.359 1.00 0.00 H new ATOM 0 HD1 TYR A 459 9.214 0.791 -6.450 1.00 0.00 H new ATOM 0 HD2 TYR A 459 13.039 -0.054 -4.771 1.00 0.00 H new ATOM 0 HE1 TYR A 459 9.242 3.011 -5.395 1.00 0.00 H new ATOM 0 HE2 TYR A 459 13.066 2.161 -3.713 1.00 0.00 H new ATOM 0 HH TYR A 459 12.003 4.070 -3.395 1.00 0.00 H new ATOM 859 N GLU A 460 8.810 -3.653 -6.879 1.00 0.00 N ATOM 860 CA GLU A 460 8.481 -4.798 -7.721 1.00 0.00 C ATOM 861 C GLU A 460 7.886 -4.345 -9.052 1.00 0.00 C ATOM 862 O GLU A 460 6.753 -3.866 -9.106 1.00 0.00 O ATOM 863 CB GLU A 460 7.498 -5.722 -6.995 1.00 0.00 C ATOM 864 CG GLU A 460 8.109 -7.046 -6.565 1.00 0.00 C ATOM 865 CD GLU A 460 7.316 -7.725 -5.466 1.00 0.00 C ATOM 866 OE1 GLU A 460 6.137 -7.362 -5.275 1.00 0.00 O ATOM 867 OE2 GLU A 460 7.874 -8.619 -4.797 1.00 0.00 O ATOM 0 H GLU A 460 8.013 -3.065 -6.637 1.00 0.00 H new ATOM 0 HA GLU A 460 9.402 -5.345 -7.926 1.00 0.00 H new ATOM 0 HB2 GLU A 460 7.111 -5.207 -6.115 1.00 0.00 H new ATOM 0 HB3 GLU A 460 6.648 -5.919 -7.648 1.00 0.00 H new ATOM 0 HG2 GLU A 460 8.171 -7.710 -7.427 1.00 0.00 H new ATOM 0 HG3 GLU A 460 9.129 -6.876 -6.220 1.00 0.00 H new ATOM 874 N GLY A 461 8.655 -4.506 -10.127 1.00 0.00 N ATOM 875 CA GLY A 461 8.181 -4.114 -11.443 1.00 0.00 C ATOM 876 C GLY A 461 9.106 -3.127 -12.132 1.00 0.00 C ATOM 877 O GLY A 461 10.310 -3.112 -11.880 1.00 0.00 O ATOM 0 H GLY A 461 9.596 -4.900 -10.110 1.00 0.00 H new ATOM 0 HA2 GLY A 461 8.076 -5.002 -12.066 1.00 0.00 H new ATOM 0 HA3 GLY A 461 7.189 -3.671 -11.350 1.00 0.00 H new ATOM 881 N LYS A 462 8.535 -2.300 -13.001 1.00 0.00 N ATOM 882 CA LYS A 462 9.303 -1.298 -13.733 1.00 0.00 C ATOM 883 C LYS A 462 8.393 -0.165 -14.204 1.00 0.00 C ATOM 884 O LYS A 462 7.214 -0.381 -14.482 1.00 0.00 O ATOM 885 CB LYS A 462 10.010 -1.940 -14.931 1.00 0.00 C ATOM 886 CG LYS A 462 11.527 -1.861 -14.854 1.00 0.00 C ATOM 887 CD LYS A 462 12.147 -3.222 -14.575 1.00 0.00 C ATOM 888 CE LYS A 462 13.620 -3.099 -14.222 1.00 0.00 C ATOM 889 NZ LYS A 462 14.275 -4.430 -14.090 1.00 0.00 N ATOM 0 H LYS A 462 7.538 -2.304 -13.217 1.00 0.00 H new ATOM 0 HA LYS A 462 10.056 -0.883 -13.062 1.00 0.00 H new ATOM 0 HB2 LYS A 462 9.712 -2.986 -15.001 1.00 0.00 H new ATOM 0 HB3 LYS A 462 9.675 -1.451 -15.846 1.00 0.00 H new ATOM 0 HG2 LYS A 462 11.919 -1.468 -15.792 1.00 0.00 H new ATOM 0 HG3 LYS A 462 11.816 -1.162 -14.069 1.00 0.00 H new ATOM 0 HD2 LYS A 462 11.614 -3.705 -13.756 1.00 0.00 H new ATOM 0 HD3 LYS A 462 12.033 -3.862 -15.450 1.00 0.00 H new ATOM 0 HE2 LYS A 462 14.130 -2.519 -14.991 1.00 0.00 H new ATOM 0 HE3 LYS A 462 13.724 -2.549 -13.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 462 15.278 -4.301 -13.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 462 13.806 -4.975 -13.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 462 14.199 -4.945 -14.990 1.00 0.00 H new ATOM 903 N HIS A 463 8.944 1.042 -14.290 1.00 0.00 N ATOM 904 CA HIS A 463 8.171 2.200 -14.727 1.00 0.00 C ATOM 905 C HIS A 463 8.483 2.557 -16.175 1.00 0.00 C ATOM 906 O HIS A 463 9.645 2.680 -16.559 1.00 0.00 O ATOM 907 CB HIS A 463 8.459 3.404 -13.831 1.00 0.00 C ATOM 908 CG HIS A 463 8.252 3.129 -12.377 1.00 0.00 C ATOM 909 ND1 HIS A 463 9.098 2.641 -11.442 1.00 0.00 N flip ATOM 910 CD2 HIS A 463 7.055 3.354 -11.729 1.00 0.00 C flip ATOM 911 CE1 HIS A 463 8.407 2.580 -10.258 1.00 0.00 C flip ATOM 912 NE2 HIS A 463 7.176 3.016 -10.457 1.00 0.00 N flip ATOM 0 H HIS A 463 9.918 1.243 -14.064 1.00 0.00 H new ATOM 0 HA HIS A 463 7.115 1.939 -14.653 1.00 0.00 H new ATOM 0 HB2 HIS A 463 9.488 3.726 -13.989 1.00 0.00 H new ATOM 0 HB3 HIS A 463 7.817 4.232 -14.131 1.00 0.00 H new ATOM 0 HD2 HIS A 463 6.160 3.745 -12.189 1.00 0.00 H new ATOM 0 HE1 HIS A 463 8.805 2.232 -9.316 1.00 0.00 H new ATOM 0 HE2 HIS A 463 6.444 3.081 -9.750 1.00 0.00 H new ATOM 920 N ASN A 464 7.434 2.724 -16.971 1.00 0.00 N ATOM 921 CA ASN A 464 7.590 3.072 -18.378 1.00 0.00 C ATOM 922 C ASN A 464 7.061 4.478 -18.652 1.00 0.00 C ATOM 923 O ASN A 464 6.227 4.677 -19.537 1.00 0.00 O ATOM 924 CB ASN A 464 6.866 2.054 -19.264 1.00 0.00 C ATOM 925 CG ASN A 464 5.483 1.709 -18.742 1.00 0.00 C ATOM 926 OD1 ASN A 464 5.323 1.317 -17.585 1.00 0.00 O ATOM 927 ND2 ASN A 464 4.476 1.855 -19.595 1.00 0.00 N ATOM 0 H ASN A 464 6.466 2.624 -16.666 1.00 0.00 H new ATOM 0 HA ASN A 464 8.654 3.052 -18.616 1.00 0.00 H new ATOM 0 HB2 ASN A 464 6.780 2.453 -20.275 1.00 0.00 H new ATOM 0 HB3 ASN A 464 7.463 1.145 -19.330 1.00 0.00 H new ATOM 0 HD21 ASN A 464 3.523 1.640 -19.301 1.00 0.00 H new ATOM 0 HD22 ASN A 464 4.655 2.183 -20.544 1.00 0.00 H new ATOM 934 N HIS A 465 7.554 5.451 -17.892 1.00 0.00 N ATOM 935 CA HIS A 465 7.137 6.839 -18.050 1.00 0.00 C ATOM 936 C HIS A 465 8.134 7.766 -17.371 1.00 0.00 C ATOM 937 O HIS A 465 7.755 8.679 -16.637 1.00 0.00 O ATOM 938 CB HIS A 465 5.745 7.047 -17.464 1.00 0.00 C ATOM 939 CG HIS A 465 5.654 6.747 -15.998 1.00 0.00 C ATOM 940 ND1 HIS A 465 5.927 7.677 -15.016 1.00 0.00 N ATOM 941 CD2 HIS A 465 5.313 5.610 -15.350 1.00 0.00 C ATOM 942 CE1 HIS A 465 5.759 7.122 -13.828 1.00 0.00 C ATOM 943 NE2 HIS A 465 5.386 5.868 -14.002 1.00 0.00 N ATOM 0 H HIS A 465 8.246 5.302 -17.157 1.00 0.00 H new ATOM 0 HA HIS A 465 7.105 7.073 -19.114 1.00 0.00 H new ATOM 0 HB2 HIS A 465 5.440 8.080 -17.633 1.00 0.00 H new ATOM 0 HB3 HIS A 465 5.037 6.414 -17.999 1.00 0.00 H new ATOM 0 HD1 HIS A 465 6.214 8.642 -15.181 1.00 0.00 H new ATOM 0 HD2 HIS A 465 5.035 4.672 -15.807 1.00 0.00 H new ATOM 0 HE1 HIS A 465 5.903 7.612 -12.876 1.00 0.00 H new