USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=19 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 -133:sc= -0.438 USER MOD Set 1.2: A 436 THR OG1 : rot -72:sc= -2.67! USER MOD Set 1.3: A 439 CYS SG : rot -96:sc= -1.33 USER MOD Set 1.4: A 463 HIS : no HD1:sc= -2.07 X(o=-10,f=-10) USER MOD Set 1.5: A 465 HIS : no HE2:sc= -3.9! C(o=-10!,f=-12!) USER MOD Set 2.1: A 417 TYR OH : rot -15:sc= -1.02 USER MOD Set 2.2: A 433 LYS NZ :NH3+ 154:sc= 0.484 (180deg=0.0993) 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 419 GLN : amide:sc= -0.014 K(o=-0.014,f=-1) USER MOD Single : A 420 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 423 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00166) USER MOD Single : A 425 ASN : amide:sc= -2! C(o=-2!,f=-12!) USER MOD Single : A 427 TYR OH : rot 39:sc= -0.0762 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= -1.17 USER MOD Single : A 435 THR OG1 : rot 180:sc= 0 USER MOD Single : A 443 LYS NZ :NH3+ -177:sc= 0.231 (180deg=0.229) USER MOD Single : A 444 HIS : no HD1:sc= -0.672 K(o=-0.67,f=-0.077) USER MOD Single : A 450 THR OG1 : rot 180:sc= 0.0973 USER MOD Single : A 453 LYS NZ :NH3+ -110:sc= -0.217 (180deg=-1.92!) 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= -0.101 K(o=-0.1,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 70 N TYR A 412 7.092 9.294 -7.900 1.00 0.00 N ATOM 71 CA TYR A 412 5.925 8.660 -8.503 1.00 0.00 C ATOM 72 C TYR A 412 4.688 8.836 -7.624 1.00 0.00 C ATOM 73 O TYR A 412 4.735 9.511 -6.595 1.00 0.00 O ATOM 74 CB TYR A 412 6.194 7.170 -8.734 1.00 0.00 C ATOM 75 CG TYR A 412 7.397 6.899 -9.613 1.00 0.00 C ATOM 76 CD1 TYR A 412 7.740 7.765 -10.645 1.00 0.00 C ATOM 77 CD2 TYR A 412 8.189 5.776 -9.410 1.00 0.00 C ATOM 78 CE1 TYR A 412 8.837 7.518 -11.450 1.00 0.00 C ATOM 79 CE2 TYR A 412 9.287 5.522 -10.209 1.00 0.00 C ATOM 80 CZ TYR A 412 9.607 6.395 -11.226 1.00 0.00 C ATOM 81 OH TYR A 412 10.702 6.143 -12.024 1.00 0.00 O ATOM 0 HA TYR A 412 5.735 9.144 -9.461 1.00 0.00 H new ATOM 0 HB2 TYR A 412 6.342 6.683 -7.770 1.00 0.00 H new ATOM 0 HB3 TYR A 412 5.313 6.717 -9.189 1.00 0.00 H new ATOM 0 HD1 TYR A 412 7.140 8.645 -10.821 1.00 0.00 H new ATOM 0 HD2 TYR A 412 7.942 5.089 -8.614 1.00 0.00 H new ATOM 0 HE1 TYR A 412 9.089 8.200 -12.249 1.00 0.00 H new ATOM 0 HE2 TYR A 412 9.892 4.644 -10.037 1.00 0.00 H new ATOM 0 HH TYR A 412 11.135 5.314 -11.732 1.00 0.00 H new ATOM 91 N ARG A 413 3.587 8.213 -8.033 1.00 0.00 N ATOM 92 CA ARG A 413 2.339 8.287 -7.283 1.00 0.00 C ATOM 93 C ARG A 413 1.953 6.911 -6.756 1.00 0.00 C ATOM 94 O ARG A 413 1.765 5.972 -7.529 1.00 0.00 O ATOM 95 CB ARG A 413 1.217 8.846 -8.165 1.00 0.00 C ATOM 96 CG ARG A 413 1.610 10.101 -8.927 1.00 0.00 C ATOM 97 CD ARG A 413 0.813 10.243 -10.213 1.00 0.00 C ATOM 98 NE ARG A 413 -0.621 10.082 -9.987 1.00 0.00 N ATOM 99 CZ ARG A 413 -1.548 10.327 -10.909 1.00 0.00 C ATOM 100 NH1 ARG A 413 -1.196 10.741 -12.121 1.00 0.00 N ATOM 101 NH2 ARG A 413 -2.830 10.156 -10.620 1.00 0.00 N ATOM 0 H ARG A 413 3.534 7.650 -8.882 1.00 0.00 H new ATOM 0 HA ARG A 413 2.486 8.958 -6.437 1.00 0.00 H new ATOM 0 HB2 ARG A 413 0.910 8.080 -8.877 1.00 0.00 H new ATOM 0 HB3 ARG A 413 0.351 9.066 -7.541 1.00 0.00 H new ATOM 0 HG2 ARG A 413 1.447 10.976 -8.298 1.00 0.00 H new ATOM 0 HG3 ARG A 413 2.675 10.069 -9.159 1.00 0.00 H new ATOM 0 HD2 ARG A 413 1.003 11.223 -10.652 1.00 0.00 H new ATOM 0 HD3 ARG A 413 1.152 9.499 -10.934 1.00 0.00 H new ATOM 0 HE ARG A 413 -0.930 9.763 -9.069 1.00 0.00 H new ATOM 0 HH11 ARG A 413 -0.210 10.873 -12.349 1.00 0.00 H new ATOM 0 HH12 ARG A 413 -1.911 10.927 -12.824 1.00 0.00 H new ATOM 0 HH21 ARG A 413 -3.105 9.837 -9.691 1.00 0.00 H new ATOM 0 HH22 ARG A 413 -3.541 10.344 -11.326 1.00 0.00 H new ATOM 115 N TRP A 414 1.851 6.792 -5.436 1.00 0.00 N ATOM 116 CA TRP A 414 1.506 5.519 -4.812 1.00 0.00 C ATOM 117 C TRP A 414 0.207 5.617 -4.022 1.00 0.00 C ATOM 118 O TRP A 414 -0.052 6.612 -3.345 1.00 0.00 O ATOM 119 CB TRP A 414 2.639 5.065 -3.896 1.00 0.00 C ATOM 120 CG TRP A 414 3.960 4.982 -4.596 1.00 0.00 C ATOM 121 CD1 TRP A 414 4.840 6.002 -4.811 1.00 0.00 C ATOM 122 CD2 TRP A 414 4.543 3.815 -5.183 1.00 0.00 C ATOM 123 NE1 TRP A 414 5.938 5.539 -5.496 1.00 0.00 N ATOM 124 CE2 TRP A 414 5.779 4.199 -5.735 1.00 0.00 C ATOM 125 CE3 TRP A 414 4.138 2.482 -5.293 1.00 0.00 C ATOM 126 CZ2 TRP A 414 6.613 3.296 -6.390 1.00 0.00 C ATOM 127 CZ3 TRP A 414 4.967 1.588 -5.942 1.00 0.00 C ATOM 128 CH2 TRP A 414 6.192 1.998 -6.483 1.00 0.00 C ATOM 0 H TRP A 414 2.002 7.558 -4.780 1.00 0.00 H new ATOM 0 HA TRP A 414 1.361 4.785 -5.605 1.00 0.00 H new ATOM 0 HB2 TRP A 414 2.721 5.757 -3.058 1.00 0.00 H new ATOM 0 HB3 TRP A 414 2.393 4.088 -3.479 1.00 0.00 H new ATOM 0 HD1 TRP A 414 4.695 7.023 -4.490 1.00 0.00 H new ATOM 0 HE1 TRP A 414 6.740 6.101 -5.780 1.00 0.00 H new ATOM 0 HE3 TRP A 414 3.195 2.157 -4.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 414 7.558 3.609 -6.809 1.00 0.00 H new ATOM 0 HZ3 TRP A 414 4.665 0.555 -6.034 1.00 0.00 H new ATOM 0 HH2 TRP A 414 6.817 1.274 -6.984 1.00 0.00 H new ATOM 139 N ARG A 415 -0.609 4.570 -4.115 1.00 0.00 N ATOM 140 CA ARG A 415 -1.884 4.526 -3.413 1.00 0.00 C ATOM 141 C ARG A 415 -1.842 3.535 -2.251 1.00 0.00 C ATOM 142 O ARG A 415 -1.834 2.320 -2.456 1.00 0.00 O ATOM 143 CB ARG A 415 -3.003 4.146 -4.385 1.00 0.00 C ATOM 144 CG ARG A 415 -4.384 4.118 -3.748 1.00 0.00 C ATOM 145 CD ARG A 415 -4.816 2.697 -3.420 1.00 0.00 C ATOM 146 NE ARG A 415 -5.633 2.114 -4.482 1.00 0.00 N ATOM 147 CZ ARG A 415 -5.756 0.802 -4.691 1.00 0.00 C ATOM 148 NH1 ARG A 415 -5.119 -0.064 -3.914 1.00 0.00 N ATOM 149 NH2 ARG A 415 -6.520 0.356 -5.679 1.00 0.00 N ATOM 0 H ARG A 415 -0.407 3.740 -4.672 1.00 0.00 H new ATOM 0 HA ARG A 415 -2.080 5.517 -3.005 1.00 0.00 H new ATOM 0 HB2 ARG A 415 -3.009 4.855 -5.213 1.00 0.00 H new ATOM 0 HB3 ARG A 415 -2.788 3.164 -4.807 1.00 0.00 H new ATOM 0 HG2 ARG A 415 -4.378 4.717 -2.838 1.00 0.00 H new ATOM 0 HG3 ARG A 415 -5.108 4.573 -4.425 1.00 0.00 H new ATOM 0 HD2 ARG A 415 -3.933 2.078 -3.260 1.00 0.00 H new ATOM 0 HD3 ARG A 415 -5.380 2.696 -2.487 1.00 0.00 H new ATOM 0 HE ARG A 415 -6.139 2.748 -5.100 1.00 0.00 H new ATOM 0 HH11 ARG A 415 -4.531 0.272 -3.151 1.00 0.00 H new ATOM 0 HH12 ARG A 415 -5.217 -1.066 -4.079 1.00 0.00 H new ATOM 0 HH21 ARG A 415 -7.014 1.016 -6.280 1.00 0.00 H new ATOM 0 HH22 ARG A 415 -6.614 -0.647 -5.838 1.00 0.00 H new ATOM 163 N LYS A 416 -1.820 4.066 -1.031 1.00 0.00 N ATOM 164 CA LYS A 416 -1.791 3.240 0.173 1.00 0.00 C ATOM 165 C LYS A 416 -3.029 2.351 0.232 1.00 0.00 C ATOM 166 O LYS A 416 -4.119 2.777 -0.150 1.00 0.00 O ATOM 167 CB LYS A 416 -1.726 4.141 1.414 1.00 0.00 C ATOM 168 CG LYS A 416 -1.835 3.396 2.738 1.00 0.00 C ATOM 169 CD LYS A 416 -2.124 4.345 3.892 1.00 0.00 C ATOM 170 CE LYS A 416 -1.116 5.483 3.953 1.00 0.00 C ATOM 171 NZ LYS A 416 -1.696 6.768 3.474 1.00 0.00 N ATOM 0 H LYS A 416 -1.822 5.070 -0.850 1.00 0.00 H new ATOM 0 HA LYS A 416 -0.907 2.602 0.148 1.00 0.00 H new ATOM 0 HB2 LYS A 416 -0.787 4.694 1.398 1.00 0.00 H new ATOM 0 HB3 LYS A 416 -2.529 4.876 1.357 1.00 0.00 H new ATOM 0 HG2 LYS A 416 -2.627 2.650 2.672 1.00 0.00 H new ATOM 0 HG3 LYS A 416 -0.907 2.859 2.932 1.00 0.00 H new ATOM 0 HD2 LYS A 416 -3.128 4.754 3.783 1.00 0.00 H new ATOM 0 HD3 LYS A 416 -2.105 3.792 4.831 1.00 0.00 H new ATOM 0 HE2 LYS A 416 -0.766 5.603 4.978 1.00 0.00 H new ATOM 0 HE3 LYS A 416 -0.246 5.230 3.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 416 -0.976 7.517 3.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 416 -2.007 6.662 2.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 416 -2.511 7.024 4.068 1.00 0.00 H new ATOM 185 N TYR A 417 -2.871 1.118 0.710 1.00 0.00 N ATOM 186 CA TYR A 417 -4.013 0.217 0.797 1.00 0.00 C ATOM 187 C TYR A 417 -3.735 -1.041 1.620 1.00 0.00 C ATOM 188 O TYR A 417 -2.676 -1.666 1.511 1.00 0.00 O ATOM 189 CB TYR A 417 -4.482 -0.174 -0.610 1.00 0.00 C ATOM 190 CG TYR A 417 -3.642 -1.246 -1.265 1.00 0.00 C ATOM 191 CD1 TYR A 417 -3.926 -2.593 -1.076 1.00 0.00 C ATOM 192 CD2 TYR A 417 -2.565 -0.913 -2.072 1.00 0.00 C ATOM 193 CE1 TYR A 417 -3.158 -3.576 -1.672 1.00 0.00 C ATOM 194 CE2 TYR A 417 -1.793 -1.887 -2.672 1.00 0.00 C ATOM 195 CZ TYR A 417 -2.093 -3.218 -2.469 1.00 0.00 C ATOM 196 OH TYR A 417 -1.325 -4.191 -3.065 1.00 0.00 O ATOM 0 H TYR A 417 -1.986 0.729 1.035 1.00 0.00 H new ATOM 0 HA TYR A 417 -4.798 0.764 1.319 1.00 0.00 H new ATOM 0 HB2 TYR A 417 -5.514 -0.520 -0.554 1.00 0.00 H new ATOM 0 HB3 TYR A 417 -4.477 0.714 -1.243 1.00 0.00 H new ATOM 0 HD1 TYR A 417 -4.761 -2.877 -0.453 1.00 0.00 H new ATOM 0 HD2 TYR A 417 -2.326 0.128 -2.234 1.00 0.00 H new ATOM 0 HE1 TYR A 417 -3.392 -4.618 -1.514 1.00 0.00 H new ATOM 0 HE2 TYR A 417 -0.958 -1.608 -3.298 1.00 0.00 H new ATOM 0 HH TYR A 417 -1.507 -5.056 -2.642 1.00 0.00 H new ATOM 206 N GLY A 418 -4.730 -1.394 2.431 1.00 0.00 N ATOM 207 CA GLY A 418 -4.654 -2.577 3.266 1.00 0.00 C ATOM 208 C GLY A 418 -3.632 -2.479 4.382 1.00 0.00 C ATOM 209 O GLY A 418 -2.574 -3.106 4.310 1.00 0.00 O ATOM 0 H GLY A 418 -5.600 -0.870 2.523 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -5.635 -2.766 3.701 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -4.412 -3.436 2.640 1.00 0.00 H new ATOM 213 N GLN A 419 -3.947 -1.722 5.431 1.00 0.00 N ATOM 214 CA GLN A 419 -3.037 -1.598 6.560 1.00 0.00 C ATOM 215 C GLN A 419 -3.123 -2.845 7.430 1.00 0.00 C ATOM 216 O GLN A 419 -4.198 -3.207 7.906 1.00 0.00 O ATOM 217 CB GLN A 419 -3.361 -0.355 7.392 1.00 0.00 C ATOM 218 CG GLN A 419 -2.270 -0.003 8.391 1.00 0.00 C ATOM 219 CD GLN A 419 -2.570 -0.517 9.786 1.00 0.00 C ATOM 220 OE1 GLN A 419 -2.217 -1.644 10.134 1.00 0.00 O ATOM 221 NE2 GLN A 419 -3.221 0.310 10.593 1.00 0.00 N ATOM 0 H GLN A 419 -4.814 -1.193 5.520 1.00 0.00 H new ATOM 0 HA GLN A 419 -2.023 -1.494 6.175 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -3.519 0.491 6.723 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -4.296 -0.517 7.927 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -1.322 -0.419 8.050 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -2.149 1.080 8.425 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -3.494 1.235 10.262 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -3.448 0.021 11.544 1.00 0.00 H new ATOM 230 N LYS A 420 -1.990 -3.507 7.622 1.00 0.00 N ATOM 231 CA LYS A 420 -1.947 -4.725 8.422 1.00 0.00 C ATOM 232 C LYS A 420 -0.661 -4.797 9.237 1.00 0.00 C ATOM 233 O LYS A 420 0.381 -4.311 8.804 1.00 0.00 O ATOM 234 CB LYS A 420 -2.056 -5.948 7.508 1.00 0.00 C ATOM 235 CG LYS A 420 -2.078 -7.274 8.255 1.00 0.00 C ATOM 236 CD LYS A 420 -3.237 -8.151 7.803 1.00 0.00 C ATOM 237 CE LYS A 420 -3.145 -8.478 6.321 1.00 0.00 C ATOM 238 NZ LYS A 420 -2.432 -9.764 6.081 1.00 0.00 N ATOM 0 H LYS A 420 -1.090 -3.222 7.236 1.00 0.00 H new ATOM 0 HA LYS A 420 -2.789 -4.713 9.114 1.00 0.00 H new ATOM 0 HB2 LYS A 420 -2.964 -5.863 6.910 1.00 0.00 H new ATOM 0 HB3 LYS A 420 -1.216 -5.947 6.814 1.00 0.00 H new ATOM 0 HG2 LYS A 420 -1.137 -7.800 8.092 1.00 0.00 H new ATOM 0 HG3 LYS A 420 -2.158 -7.088 9.326 1.00 0.00 H new ATOM 0 HD2 LYS A 420 -3.242 -9.075 8.381 1.00 0.00 H new ATOM 0 HD3 LYS A 420 -4.180 -7.643 8.007 1.00 0.00 H new ATOM 0 HE2 LYS A 420 -4.148 -8.534 5.898 1.00 0.00 H new ATOM 0 HE3 LYS A 420 -2.625 -7.672 5.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 -2.390 -9.952 5.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 -1.466 -9.702 6.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 -2.942 -10.537 6.554 1.00 0.00 H new ATOM 252 N VAL A 421 -0.737 -5.406 10.415 1.00 0.00 N ATOM 253 CA VAL A 421 0.428 -5.541 11.282 1.00 0.00 C ATOM 254 C VAL A 421 1.107 -6.892 11.077 1.00 0.00 C ATOM 255 O VAL A 421 0.455 -7.878 10.735 1.00 0.00 O ATOM 256 CB VAL A 421 0.045 -5.383 12.767 1.00 0.00 C ATOM 257 CG1 VAL A 421 -0.957 -6.451 13.180 1.00 0.00 C ATOM 258 CG2 VAL A 421 1.282 -5.432 13.649 1.00 0.00 C ATOM 0 H VAL A 421 -1.593 -5.814 10.792 1.00 0.00 H new ATOM 0 HA VAL A 421 1.122 -4.745 11.012 1.00 0.00 H new ATOM 0 HB VAL A 421 -0.425 -4.408 12.897 1.00 0.00 H new ATOM 0 HG11 VAL A 421 -1.214 -6.322 14.231 1.00 0.00 H new ATOM 0 HG12 VAL A 421 -1.857 -6.360 12.572 1.00 0.00 H new ATOM 0 HG13 VAL A 421 -0.518 -7.438 13.033 1.00 0.00 H new ATOM 0 HG21 VAL A 421 0.989 -5.319 14.693 1.00 0.00 H new ATOM 0 HG22 VAL A 421 1.786 -6.389 13.515 1.00 0.00 H new ATOM 0 HG23 VAL A 421 1.959 -4.624 13.372 1.00 0.00 H new ATOM 268 N VAL A 422 2.422 -6.928 11.274 1.00 0.00 N ATOM 269 CA VAL A 422 3.183 -8.158 11.097 1.00 0.00 C ATOM 270 C VAL A 422 4.006 -8.496 12.338 1.00 0.00 C ATOM 271 O VAL A 422 4.590 -7.606 12.973 1.00 0.00 O ATOM 272 CB VAL A 422 4.123 -8.061 9.882 1.00 0.00 C ATOM 273 CG1 VAL A 422 3.327 -8.135 8.585 1.00 0.00 C ATOM 274 CG2 VAL A 422 4.941 -6.780 9.945 1.00 0.00 C ATOM 0 H VAL A 422 2.980 -6.122 11.555 1.00 0.00 H new ATOM 0 HA VAL A 422 2.456 -8.953 10.929 1.00 0.00 H new ATOM 0 HB VAL A 422 4.811 -8.906 9.906 1.00 0.00 H new ATOM 0 HG11 VAL A 422 4.007 -8.065 7.736 1.00 0.00 H new ATOM 0 HG12 VAL A 422 2.789 -9.082 8.542 1.00 0.00 H new ATOM 0 HG13 VAL A 422 2.614 -7.311 8.548 1.00 0.00 H new ATOM 0 HG21 VAL A 422 5.601 -6.727 9.079 1.00 0.00 H new ATOM 0 HG22 VAL A 422 4.271 -5.920 9.945 1.00 0.00 H new ATOM 0 HG23 VAL A 422 5.538 -6.774 10.857 1.00 0.00 H new ATOM 284 N LYS A 423 4.047 -9.793 12.670 1.00 0.00 N ATOM 285 CA LYS A 423 4.793 -10.279 13.827 1.00 0.00 C ATOM 286 C LYS A 423 6.278 -10.363 13.504 1.00 0.00 C ATOM 287 O LYS A 423 6.698 -10.023 12.398 1.00 0.00 O ATOM 288 CB LYS A 423 4.274 -11.650 14.260 1.00 0.00 C ATOM 289 CG LYS A 423 3.070 -11.580 15.184 1.00 0.00 C ATOM 290 CD LYS A 423 1.877 -10.931 14.500 1.00 0.00 C ATOM 291 CE LYS A 423 1.269 -11.851 13.453 1.00 0.00 C ATOM 292 NZ LYS A 423 0.571 -11.091 12.378 1.00 0.00 N ATOM 0 H LYS A 423 3.567 -10.525 12.146 1.00 0.00 H new ATOM 0 HA LYS A 423 4.651 -9.575 14.647 1.00 0.00 H new ATOM 0 HB2 LYS A 423 4.008 -12.225 13.373 1.00 0.00 H new ATOM 0 HB3 LYS A 423 5.076 -12.191 14.762 1.00 0.00 H new ATOM 0 HG2 LYS A 423 2.801 -12.585 15.509 1.00 0.00 H new ATOM 0 HG3 LYS A 423 3.330 -11.014 16.079 1.00 0.00 H new ATOM 0 HD2 LYS A 423 1.123 -10.677 15.245 1.00 0.00 H new ATOM 0 HD3 LYS A 423 2.188 -9.998 14.030 1.00 0.00 H new ATOM 0 HE2 LYS A 423 2.053 -12.466 13.011 1.00 0.00 H new ATOM 0 HE3 LYS A 423 0.564 -12.530 13.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 0.128 -11.757 11.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -0.161 -10.485 12.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 1.258 -10.499 11.869 1.00 0.00 H new ATOM 306 N GLY A 424 7.081 -10.789 14.478 1.00 0.00 N ATOM 307 CA GLY A 424 8.517 -10.868 14.260 1.00 0.00 C ATOM 308 C GLY A 424 9.136 -9.488 14.082 1.00 0.00 C ATOM 309 O GLY A 424 10.355 -9.328 14.130 1.00 0.00 O ATOM 0 H GLY A 424 6.767 -11.078 15.405 1.00 0.00 H new ATOM 0 HA2 GLY A 424 8.986 -11.371 15.105 1.00 0.00 H new ATOM 0 HA3 GLY A 424 8.718 -11.474 13.377 1.00 0.00 H new ATOM 313 N ASN A 425 8.273 -8.496 13.882 1.00 0.00 N ATOM 314 CA ASN A 425 8.672 -7.115 13.696 1.00 0.00 C ATOM 315 C ASN A 425 7.480 -6.228 14.047 1.00 0.00 C ATOM 316 O ASN A 425 7.014 -5.447 13.222 1.00 0.00 O ATOM 317 CB ASN A 425 9.105 -6.882 12.247 1.00 0.00 C ATOM 318 CG ASN A 425 9.772 -5.538 12.050 1.00 0.00 C ATOM 319 OD1 ASN A 425 10.995 -5.422 12.131 1.00 0.00 O ATOM 320 ND2 ASN A 425 8.970 -4.514 11.786 1.00 0.00 N ATOM 0 H ASN A 425 7.263 -8.637 13.845 1.00 0.00 H new ATOM 0 HA ASN A 425 9.518 -6.875 14.340 1.00 0.00 H new ATOM 0 HB2 ASN A 425 9.792 -7.673 11.945 1.00 0.00 H new ATOM 0 HB3 ASN A 425 8.234 -6.951 11.595 1.00 0.00 H new ATOM 0 HD21 ASN A 425 9.362 -3.584 11.641 1.00 0.00 H new ATOM 0 HD22 ASN A 425 7.962 -4.657 11.728 1.00 0.00 H new ATOM 327 N PRO A 426 6.963 -6.382 15.288 1.00 0.00 N ATOM 328 CA PRO A 426 5.804 -5.654 15.806 1.00 0.00 C ATOM 329 C PRO A 426 5.595 -4.279 15.191 1.00 0.00 C ATOM 330 O PRO A 426 5.811 -3.261 15.846 1.00 0.00 O ATOM 331 CB PRO A 426 6.163 -5.525 17.279 1.00 0.00 C ATOM 332 CG PRO A 426 6.903 -6.782 17.605 1.00 0.00 C ATOM 333 CD PRO A 426 7.472 -7.317 16.307 1.00 0.00 C ATOM 0 HA PRO A 426 4.869 -6.170 15.586 1.00 0.00 H new ATOM 0 HB2 PRO A 426 6.780 -4.645 17.460 1.00 0.00 H new ATOM 0 HB3 PRO A 426 5.270 -5.421 17.896 1.00 0.00 H new ATOM 0 HG2 PRO A 426 7.700 -6.584 18.322 1.00 0.00 H new ATOM 0 HG3 PRO A 426 6.237 -7.513 18.063 1.00 0.00 H new ATOM 0 HD2 PRO A 426 8.562 -7.334 16.325 1.00 0.00 H new ATOM 0 HD3 PRO A 426 7.140 -8.337 16.115 1.00 0.00 H new ATOM 341 N TYR A 427 5.169 -4.245 13.935 1.00 0.00 N ATOM 342 CA TYR A 427 4.942 -2.969 13.266 1.00 0.00 C ATOM 343 C TYR A 427 3.865 -3.078 12.190 1.00 0.00 C ATOM 344 O TYR A 427 3.606 -4.164 11.670 1.00 0.00 O ATOM 345 CB TYR A 427 6.247 -2.452 12.654 1.00 0.00 C ATOM 346 CG TYR A 427 7.199 -1.852 13.668 1.00 0.00 C ATOM 347 CD1 TYR A 427 7.944 -2.660 14.520 1.00 0.00 C ATOM 348 CD2 TYR A 427 7.350 -0.475 13.772 1.00 0.00 C ATOM 349 CE1 TYR A 427 8.808 -2.113 15.448 1.00 0.00 C ATOM 350 CE2 TYR A 427 8.215 0.079 14.696 1.00 0.00 C ATOM 351 CZ TYR A 427 8.941 -0.743 15.532 1.00 0.00 C ATOM 352 OH TYR A 427 9.802 -0.196 16.453 1.00 0.00 O ATOM 0 H TYR A 427 4.976 -5.070 13.367 1.00 0.00 H new ATOM 0 HA TYR A 427 4.591 -2.261 14.017 1.00 0.00 H new ATOM 0 HB2 TYR A 427 6.747 -3.273 12.140 1.00 0.00 H new ATOM 0 HB3 TYR A 427 6.012 -1.700 11.900 1.00 0.00 H new ATOM 0 HD1 TYR A 427 7.845 -3.733 14.455 1.00 0.00 H new ATOM 0 HD2 TYR A 427 6.782 0.173 13.120 1.00 0.00 H new ATOM 0 HE1 TYR A 427 9.377 -2.755 16.105 1.00 0.00 H new ATOM 0 HE2 TYR A 427 8.322 1.152 14.763 1.00 0.00 H new ATOM 0 HH TYR A 427 10.612 -0.744 16.509 1.00 0.00 H new ATOM 362 N PRO A 428 3.217 -1.949 11.835 1.00 0.00 N ATOM 363 CA PRO A 428 2.171 -1.925 10.821 1.00 0.00 C ATOM 364 C PRO A 428 2.734 -1.834 9.407 1.00 0.00 C ATOM 365 O PRO A 428 3.503 -0.927 9.089 1.00 0.00 O ATOM 366 CB PRO A 428 1.360 -0.660 11.156 1.00 0.00 C ATOM 367 CG PRO A 428 2.087 0.030 12.273 1.00 0.00 C ATOM 368 CD PRO A 428 3.445 -0.605 12.381 1.00 0.00 C ATOM 0 HA PRO A 428 1.578 -2.840 10.836 1.00 0.00 H new ATOM 0 HB2 PRO A 428 1.280 -0.009 10.285 1.00 0.00 H new ATOM 0 HB3 PRO A 428 0.344 -0.919 11.456 1.00 0.00 H new ATOM 0 HG2 PRO A 428 2.177 1.097 12.072 1.00 0.00 H new ATOM 0 HG3 PRO A 428 1.539 -0.073 13.210 1.00 0.00 H new ATOM 0 HD2 PRO A 428 4.195 -0.058 11.810 1.00 0.00 H new ATOM 0 HD3 PRO A 428 3.794 -0.641 13.413 1.00 0.00 H new ATOM 376 N ARG A 429 2.337 -2.777 8.563 1.00 0.00 N ATOM 377 CA ARG A 429 2.786 -2.809 7.177 1.00 0.00 C ATOM 378 C ARG A 429 1.774 -2.116 6.270 1.00 0.00 C ATOM 379 O ARG A 429 0.589 -2.042 6.594 1.00 0.00 O ATOM 380 CB ARG A 429 2.994 -4.257 6.725 1.00 0.00 C ATOM 381 CG ARG A 429 3.397 -4.396 5.264 1.00 0.00 C ATOM 382 CD ARG A 429 3.282 -5.836 4.789 1.00 0.00 C ATOM 383 NE ARG A 429 4.588 -6.429 4.517 1.00 0.00 N ATOM 384 CZ ARG A 429 4.782 -7.730 4.314 1.00 0.00 C ATOM 385 NH1 ARG A 429 3.762 -8.578 4.368 1.00 0.00 N ATOM 386 NH2 ARG A 429 6.002 -8.186 4.064 1.00 0.00 N ATOM 0 H ARG A 429 1.702 -3.534 8.816 1.00 0.00 H new ATOM 0 HA ARG A 429 3.734 -2.276 7.107 1.00 0.00 H new ATOM 0 HB2 ARG A 429 3.762 -4.715 7.348 1.00 0.00 H new ATOM 0 HB3 ARG A 429 2.073 -4.815 6.892 1.00 0.00 H new ATOM 0 HG2 ARG A 429 2.764 -3.757 4.648 1.00 0.00 H new ATOM 0 HG3 ARG A 429 4.422 -4.049 5.134 1.00 0.00 H new ATOM 0 HD2 ARG A 429 2.766 -6.427 5.546 1.00 0.00 H new ATOM 0 HD3 ARG A 429 2.672 -5.872 3.886 1.00 0.00 H new ATOM 0 HE ARG A 429 5.398 -5.811 4.480 1.00 0.00 H new ATOM 0 HH11 ARG A 429 2.822 -8.234 4.566 1.00 0.00 H new ATOM 0 HH12 ARG A 429 3.918 -9.574 4.211 1.00 0.00 H new ATOM 0 HH21 ARG A 429 6.790 -7.540 4.027 1.00 0.00 H new ATOM 0 HH22 ARG A 429 6.152 -9.183 3.908 1.00 0.00 H new ATOM 400 N SER A 430 2.245 -1.615 5.135 1.00 0.00 N ATOM 401 CA SER A 430 1.372 -0.934 4.182 1.00 0.00 C ATOM 402 C SER A 430 1.693 -1.361 2.754 1.00 0.00 C ATOM 403 O SER A 430 2.848 -1.630 2.426 1.00 0.00 O ATOM 404 CB SER A 430 1.519 0.583 4.319 1.00 0.00 C ATOM 405 OG SER A 430 1.455 0.982 5.677 1.00 0.00 O ATOM 0 H SER A 430 3.223 -1.666 4.851 1.00 0.00 H new ATOM 0 HA SER A 430 0.342 -1.213 4.404 1.00 0.00 H new ATOM 0 HB2 SER A 430 2.469 0.900 3.888 1.00 0.00 H new ATOM 0 HB3 SER A 430 0.731 1.080 3.753 1.00 0.00 H new ATOM 0 HG SER A 430 1.553 1.955 5.737 1.00 0.00 H new ATOM 411 N TYR A 431 0.671 -1.422 1.904 1.00 0.00 N ATOM 412 CA TYR A 431 0.870 -1.815 0.516 1.00 0.00 C ATOM 413 C TYR A 431 0.661 -0.630 -0.417 1.00 0.00 C ATOM 414 O TYR A 431 -0.466 -0.198 -0.647 1.00 0.00 O ATOM 415 CB TYR A 431 -0.078 -2.957 0.143 1.00 0.00 C ATOM 416 CG TYR A 431 0.190 -4.229 0.914 1.00 0.00 C ATOM 417 CD1 TYR A 431 -0.390 -4.450 2.157 1.00 0.00 C ATOM 418 CD2 TYR A 431 1.031 -5.207 0.399 1.00 0.00 C ATOM 419 CE1 TYR A 431 -0.141 -5.611 2.865 1.00 0.00 C ATOM 420 CE2 TYR A 431 1.285 -6.371 1.101 1.00 0.00 C ATOM 421 CZ TYR A 431 0.696 -6.567 2.332 1.00 0.00 C ATOM 422 OH TYR A 431 0.948 -7.724 3.034 1.00 0.00 O ATOM 0 H TYR A 431 -0.295 -1.206 2.151 1.00 0.00 H new ATOM 0 HA TYR A 431 1.897 -2.162 0.405 1.00 0.00 H new ATOM 0 HB2 TYR A 431 -1.106 -2.641 0.322 1.00 0.00 H new ATOM 0 HB3 TYR A 431 0.011 -3.161 -0.924 1.00 0.00 H new ATOM 0 HD1 TYR A 431 -1.046 -3.702 2.577 1.00 0.00 H new ATOM 0 HD2 TYR A 431 1.494 -5.056 -0.565 1.00 0.00 H new ATOM 0 HE1 TYR A 431 -0.600 -5.768 3.830 1.00 0.00 H new ATOM 0 HE2 TYR A 431 1.941 -7.122 0.687 1.00 0.00 H new ATOM 0 HH TYR A 431 1.557 -8.293 2.519 1.00 0.00 H new ATOM 432 N TYR A 432 1.759 -0.102 -0.946 1.00 0.00 N ATOM 433 CA TYR A 432 1.704 1.040 -1.853 1.00 0.00 C ATOM 434 C TYR A 432 1.857 0.588 -3.297 1.00 0.00 C ATOM 435 O TYR A 432 2.855 -0.030 -3.655 1.00 0.00 O ATOM 436 CB TYR A 432 2.806 2.041 -1.506 1.00 0.00 C ATOM 437 CG TYR A 432 2.569 2.792 -0.215 1.00 0.00 C ATOM 438 CD1 TYR A 432 1.872 3.992 -0.206 1.00 0.00 C ATOM 439 CD2 TYR A 432 3.047 2.301 0.992 1.00 0.00 C ATOM 440 CE1 TYR A 432 1.655 4.682 0.972 1.00 0.00 C ATOM 441 CE2 TYR A 432 2.835 2.983 2.174 1.00 0.00 C ATOM 442 CZ TYR A 432 2.139 4.174 2.160 1.00 0.00 C ATOM 443 OH TYR A 432 1.926 4.858 3.334 1.00 0.00 O ATOM 0 H TYR A 432 2.701 -0.447 -0.762 1.00 0.00 H new ATOM 0 HA TYR A 432 0.732 1.521 -1.739 1.00 0.00 H new ATOM 0 HB2 TYR A 432 3.756 1.511 -1.437 1.00 0.00 H new ATOM 0 HB3 TYR A 432 2.900 2.759 -2.320 1.00 0.00 H new ATOM 0 HD1 TYR A 432 1.493 4.393 -1.134 1.00 0.00 H new ATOM 0 HD2 TYR A 432 3.594 1.370 1.007 1.00 0.00 H new ATOM 0 HE1 TYR A 432 1.109 5.614 0.962 1.00 0.00 H new ATOM 0 HE2 TYR A 432 3.212 2.586 3.105 1.00 0.00 H new ATOM 0 HH TYR A 432 2.330 4.364 4.078 1.00 0.00 H new ATOM 453 N LYS A 433 0.867 0.892 -4.126 1.00 0.00 N ATOM 454 CA LYS A 433 0.914 0.500 -5.529 1.00 0.00 C ATOM 455 C LYS A 433 1.034 1.710 -6.449 1.00 0.00 C ATOM 456 O LYS A 433 0.137 2.549 -6.508 1.00 0.00 O ATOM 457 CB LYS A 433 -0.335 -0.301 -5.895 1.00 0.00 C ATOM 458 CG LYS A 433 -0.146 -1.800 -5.768 1.00 0.00 C ATOM 459 CD LYS A 433 -1.463 -2.544 -5.921 1.00 0.00 C ATOM 460 CE LYS A 433 -1.258 -4.049 -5.878 1.00 0.00 C ATOM 461 NZ LYS A 433 -2.510 -4.769 -5.517 1.00 0.00 N ATOM 0 H LYS A 433 0.028 1.405 -3.855 1.00 0.00 H new ATOM 0 HA LYS A 433 1.800 -0.119 -5.667 1.00 0.00 H new ATOM 0 HB2 LYS A 433 -1.159 0.010 -5.252 1.00 0.00 H new ATOM 0 HB3 LYS A 433 -0.623 -0.064 -6.919 1.00 0.00 H new ATOM 0 HG2 LYS A 433 0.557 -2.144 -6.526 1.00 0.00 H new ATOM 0 HG3 LYS A 433 0.293 -2.031 -4.797 1.00 0.00 H new ATOM 0 HD2 LYS A 433 -2.146 -2.245 -5.126 1.00 0.00 H new ATOM 0 HD3 LYS A 433 -1.932 -2.266 -6.865 1.00 0.00 H new ATOM 0 HE2 LYS A 433 -0.907 -4.396 -6.850 1.00 0.00 H new ATOM 0 HE3 LYS A 433 -0.479 -4.289 -5.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 -2.481 -5.732 -5.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 -2.596 -4.818 -4.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 -3.328 -4.261 -5.909 1.00 0.00 H new ATOM 475 N CYS A 434 2.147 1.785 -7.174 1.00 0.00 N ATOM 476 CA CYS A 434 2.377 2.883 -8.103 1.00 0.00 C ATOM 477 C CYS A 434 1.542 2.689 -9.361 1.00 0.00 C ATOM 478 O CYS A 434 1.747 1.733 -10.109 1.00 0.00 O ATOM 479 CB CYS A 434 3.864 2.972 -8.466 1.00 0.00 C ATOM 480 SG CYS A 434 4.239 4.074 -9.854 1.00 0.00 S ATOM 0 H CYS A 434 2.901 1.099 -7.135 1.00 0.00 H new ATOM 0 HA CYS A 434 2.079 3.814 -7.622 1.00 0.00 H new ATOM 0 HB2 CYS A 434 4.418 3.311 -7.591 1.00 0.00 H new ATOM 0 HB3 CYS A 434 4.226 1.972 -8.705 1.00 0.00 H new ATOM 0 HG CYS A 434 5.048 3.475 -10.677 1.00 0.00 H new ATOM 485 N THR A 435 0.604 3.595 -9.590 1.00 0.00 N ATOM 486 CA THR A 435 -0.257 3.517 -10.758 1.00 0.00 C ATOM 487 C THR A 435 0.275 4.392 -11.881 1.00 0.00 C ATOM 488 O THR A 435 1.161 5.221 -11.672 1.00 0.00 O ATOM 489 CB THR A 435 -1.694 3.959 -10.425 1.00 0.00 C ATOM 490 OG1 THR A 435 -1.727 5.374 -10.196 1.00 0.00 O ATOM 491 CG2 THR A 435 -2.214 3.230 -9.195 1.00 0.00 C ATOM 0 H THR A 435 0.420 4.393 -8.982 1.00 0.00 H new ATOM 0 HA THR A 435 -0.268 2.475 -11.078 1.00 0.00 H new ATOM 0 HB THR A 435 -2.334 3.710 -11.272 1.00 0.00 H new ATOM 0 HG1 THR A 435 -2.644 5.650 -9.986 1.00 0.00 H new ATOM 0 HG21 THR A 435 -3.231 3.559 -8.980 1.00 0.00 H new ATOM 0 HG22 THR A 435 -2.212 2.156 -9.381 1.00 0.00 H new ATOM 0 HG23 THR A 435 -1.573 3.452 -8.342 1.00 0.00 H new ATOM 499 N THR A 436 -0.292 4.225 -13.067 1.00 0.00 N ATOM 500 CA THR A 436 0.081 5.009 -14.235 1.00 0.00 C ATOM 501 C THR A 436 -0.763 4.546 -15.419 1.00 0.00 C ATOM 502 O THR A 436 -1.236 3.410 -15.425 1.00 0.00 O ATOM 503 CB THR A 436 1.579 4.882 -14.574 1.00 0.00 C ATOM 504 OG1 THR A 436 2.218 3.984 -13.659 1.00 0.00 O ATOM 505 CG2 THR A 436 2.261 6.240 -14.513 1.00 0.00 C ATOM 0 H THR A 436 -1.026 3.540 -13.247 1.00 0.00 H new ATOM 0 HA THR A 436 -0.104 6.060 -14.015 1.00 0.00 H new ATOM 0 HB THR A 436 1.666 4.489 -15.587 1.00 0.00 H new ATOM 0 HG1 THR A 436 2.298 4.413 -12.781 1.00 0.00 H new ATOM 0 HG21 THR A 436 3.318 6.128 -14.756 1.00 0.00 H new ATOM 0 HG22 THR A 436 1.794 6.914 -15.231 1.00 0.00 H new ATOM 0 HG23 THR A 436 2.161 6.653 -13.509 1.00 0.00 H new ATOM 513 N PRO A 437 -0.991 5.403 -16.431 1.00 0.00 N ATOM 514 CA PRO A 437 -1.808 5.031 -17.584 1.00 0.00 C ATOM 515 C PRO A 437 -1.515 3.609 -18.065 1.00 0.00 C ATOM 516 O PRO A 437 -2.432 2.820 -18.293 1.00 0.00 O ATOM 517 CB PRO A 437 -1.443 6.085 -18.635 1.00 0.00 C ATOM 518 CG PRO A 437 -1.037 7.286 -17.842 1.00 0.00 C ATOM 519 CD PRO A 437 -0.492 6.787 -16.523 1.00 0.00 C ATOM 0 HA PRO A 437 -2.874 5.017 -17.356 1.00 0.00 H new ATOM 0 HB2 PRO A 437 -0.631 5.741 -19.276 1.00 0.00 H new ATOM 0 HB3 PRO A 437 -2.290 6.307 -19.284 1.00 0.00 H new ATOM 0 HG2 PRO A 437 -0.282 7.863 -18.377 1.00 0.00 H new ATOM 0 HG3 PRO A 437 -1.889 7.947 -17.681 1.00 0.00 H new ATOM 0 HD2 PRO A 437 0.597 6.821 -16.503 1.00 0.00 H new ATOM 0 HD3 PRO A 437 -0.845 7.395 -15.690 1.00 0.00 H new ATOM 527 N GLY A 438 -0.236 3.288 -18.214 1.00 0.00 N ATOM 528 CA GLY A 438 0.147 1.964 -18.663 1.00 0.00 C ATOM 529 C GLY A 438 1.152 1.301 -17.740 1.00 0.00 C ATOM 530 O GLY A 438 1.993 0.526 -18.193 1.00 0.00 O ATOM 0 H GLY A 438 0.543 3.921 -18.032 1.00 0.00 H new ATOM 0 HA2 GLY A 438 -0.742 1.338 -18.735 1.00 0.00 H new ATOM 0 HA3 GLY A 438 0.570 2.033 -19.665 1.00 0.00 H new ATOM 534 N CYS A 439 1.080 1.610 -16.447 1.00 0.00 N ATOM 535 CA CYS A 439 2.015 1.032 -15.488 1.00 0.00 C ATOM 536 C CYS A 439 1.367 0.757 -14.127 1.00 0.00 C ATOM 537 O CYS A 439 0.406 1.426 -13.717 1.00 0.00 O ATOM 538 CB CYS A 439 3.232 1.951 -15.335 1.00 0.00 C ATOM 539 SG CYS A 439 4.201 1.713 -13.820 1.00 0.00 S ATOM 0 H CYS A 439 0.394 2.248 -16.045 1.00 0.00 H new ATOM 0 HA CYS A 439 2.334 0.066 -15.879 1.00 0.00 H new ATOM 0 HB2 CYS A 439 3.888 1.803 -16.193 1.00 0.00 H new ATOM 0 HB3 CYS A 439 2.891 2.986 -15.369 1.00 0.00 H new ATOM 0 HG CYS A 439 3.814 2.567 -12.919 1.00 0.00 H new ATOM 544 N GLY A 440 1.939 -0.235 -13.443 1.00 0.00 N ATOM 545 CA GLY A 440 1.472 -0.635 -12.127 1.00 0.00 C ATOM 546 C GLY A 440 2.523 -1.421 -11.361 1.00 0.00 C ATOM 547 O GLY A 440 2.873 -2.538 -11.743 1.00 0.00 O ATOM 0 H GLY A 440 2.732 -0.776 -13.787 1.00 0.00 H new ATOM 0 HA2 GLY A 440 1.196 0.251 -11.556 1.00 0.00 H new ATOM 0 HA3 GLY A 440 0.572 -1.241 -12.231 1.00 0.00 H new ATOM 551 N VAL A 441 3.034 -0.838 -10.278 1.00 0.00 N ATOM 552 CA VAL A 441 4.053 -1.493 -9.460 1.00 0.00 C ATOM 553 C VAL A 441 3.634 -1.529 -7.993 1.00 0.00 C ATOM 554 O VAL A 441 2.950 -0.627 -7.512 1.00 0.00 O ATOM 555 CB VAL A 441 5.422 -0.778 -9.591 1.00 0.00 C ATOM 556 CG1 VAL A 441 6.337 -1.091 -8.409 1.00 0.00 C ATOM 557 CG2 VAL A 441 6.094 -1.166 -10.898 1.00 0.00 C ATOM 0 H VAL A 441 2.759 0.087 -9.947 1.00 0.00 H new ATOM 0 HA VAL A 441 4.155 -2.515 -9.826 1.00 0.00 H new ATOM 0 HB VAL A 441 5.238 0.296 -9.589 1.00 0.00 H new ATOM 0 HG11 VAL A 441 7.287 -0.572 -8.537 1.00 0.00 H new ATOM 0 HG12 VAL A 441 5.864 -0.759 -7.485 1.00 0.00 H new ATOM 0 HG13 VAL A 441 6.514 -2.165 -8.361 1.00 0.00 H new ATOM 0 HG21 VAL A 441 7.055 -0.657 -10.978 1.00 0.00 H new ATOM 0 HG22 VAL A 441 6.251 -2.244 -10.920 1.00 0.00 H new ATOM 0 HG23 VAL A 441 5.458 -0.875 -11.734 1.00 0.00 H new ATOM 567 N ARG A 442 4.054 -2.574 -7.286 1.00 0.00 N ATOM 568 CA ARG A 442 3.725 -2.718 -5.873 1.00 0.00 C ATOM 569 C ARG A 442 4.929 -2.375 -5.003 1.00 0.00 C ATOM 570 O ARG A 442 6.067 -2.705 -5.337 1.00 0.00 O ATOM 571 CB ARG A 442 3.251 -4.143 -5.574 1.00 0.00 C ATOM 572 CG ARG A 442 2.196 -4.650 -6.543 1.00 0.00 C ATOM 573 CD ARG A 442 1.606 -5.973 -6.086 1.00 0.00 C ATOM 574 NE ARG A 442 1.115 -6.771 -7.205 1.00 0.00 N ATOM 575 CZ ARG A 442 0.592 -7.988 -7.075 1.00 0.00 C ATOM 576 NH1 ARG A 442 0.487 -8.548 -5.878 1.00 0.00 N ATOM 577 NH2 ARG A 442 0.170 -8.647 -8.147 1.00 0.00 N ATOM 0 H ARG A 442 4.621 -3.331 -7.668 1.00 0.00 H new ATOM 0 HA ARG A 442 2.917 -2.024 -5.640 1.00 0.00 H new ATOM 0 HB2 ARG A 442 4.109 -4.815 -5.600 1.00 0.00 H new ATOM 0 HB3 ARG A 442 2.849 -4.178 -4.561 1.00 0.00 H new ATOM 0 HG2 ARG A 442 1.401 -3.910 -6.637 1.00 0.00 H new ATOM 0 HG3 ARG A 442 2.638 -4.770 -7.532 1.00 0.00 H new ATOM 0 HD2 ARG A 442 2.363 -6.539 -5.543 1.00 0.00 H new ATOM 0 HD3 ARG A 442 0.789 -5.784 -5.390 1.00 0.00 H new ATOM 0 HE ARG A 442 1.176 -6.373 -8.142 1.00 0.00 H new ATOM 0 HH11 ARG A 442 0.808 -8.046 -5.050 1.00 0.00 H new ATOM 0 HH12 ARG A 442 0.085 -9.481 -5.785 1.00 0.00 H new ATOM 0 HH21 ARG A 442 0.247 -8.221 -9.071 1.00 0.00 H new ATOM 0 HH22 ARG A 442 -0.231 -9.580 -8.047 1.00 0.00 H new ATOM 591 N LYS A 443 4.669 -1.697 -3.891 1.00 0.00 N ATOM 592 CA LYS A 443 5.724 -1.291 -2.971 1.00 0.00 C ATOM 593 C LYS A 443 5.329 -1.597 -1.531 1.00 0.00 C ATOM 594 O LYS A 443 4.204 -1.323 -1.115 1.00 0.00 O ATOM 595 CB LYS A 443 6.005 0.206 -3.134 1.00 0.00 C ATOM 596 CG LYS A 443 6.950 0.780 -2.091 1.00 0.00 C ATOM 597 CD LYS A 443 7.512 2.119 -2.538 1.00 0.00 C ATOM 598 CE LYS A 443 6.872 3.276 -1.788 1.00 0.00 C ATOM 599 NZ LYS A 443 7.123 4.582 -2.462 1.00 0.00 N ATOM 0 H LYS A 443 3.731 -1.416 -3.604 1.00 0.00 H new ATOM 0 HA LYS A 443 6.628 -1.854 -3.205 1.00 0.00 H new ATOM 0 HB2 LYS A 443 6.426 0.379 -4.124 1.00 0.00 H new ATOM 0 HB3 LYS A 443 5.061 0.748 -3.090 1.00 0.00 H new ATOM 0 HG2 LYS A 443 6.422 0.902 -1.145 1.00 0.00 H new ATOM 0 HG3 LYS A 443 7.767 0.081 -1.912 1.00 0.00 H new ATOM 0 HD2 LYS A 443 8.590 2.133 -2.377 1.00 0.00 H new ATOM 0 HD3 LYS A 443 7.348 2.244 -3.608 1.00 0.00 H new ATOM 0 HE2 LYS A 443 5.798 3.108 -1.710 1.00 0.00 H new ATOM 0 HE3 LYS A 443 7.264 3.311 -0.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 6.714 5.351 -1.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 8.148 4.731 -2.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 6.683 4.577 -3.404 1.00 0.00 H new ATOM 613 N HIS A 444 6.258 -2.173 -0.774 1.00 0.00 N ATOM 614 CA HIS A 444 5.992 -2.518 0.618 1.00 0.00 C ATOM 615 C HIS A 444 6.813 -1.649 1.564 1.00 0.00 C ATOM 616 O HIS A 444 7.990 -1.387 1.318 1.00 0.00 O ATOM 617 CB HIS A 444 6.301 -3.996 0.865 1.00 0.00 C ATOM 618 CG HIS A 444 5.446 -4.926 0.062 1.00 0.00 C ATOM 619 ND1 HIS A 444 5.576 -6.299 0.108 1.00 0.00 N ATOM 620 CD2 HIS A 444 4.444 -4.675 -0.815 1.00 0.00 C ATOM 621 CE1 HIS A 444 4.694 -6.851 -0.706 1.00 0.00 C ATOM 622 NE2 HIS A 444 3.994 -5.887 -1.276 1.00 0.00 N ATOM 0 H HIS A 444 7.196 -2.409 -1.098 1.00 0.00 H new ATOM 0 HA HIS A 444 4.936 -2.335 0.815 1.00 0.00 H new ATOM 0 HB2 HIS A 444 7.349 -4.184 0.630 1.00 0.00 H new ATOM 0 HB3 HIS A 444 6.167 -4.215 1.924 1.00 0.00 H new ATOM 0 HD2 HIS A 444 4.069 -3.703 -1.098 1.00 0.00 H new ATOM 0 HE1 HIS A 444 4.567 -7.910 -0.876 1.00 0.00 H new ATOM 0 HE2 HIS A 444 3.240 -6.021 -1.950 1.00 0.00 H new ATOM 631 N VAL A 445 6.183 -1.203 2.647 1.00 0.00 N ATOM 632 CA VAL A 445 6.856 -0.360 3.628 1.00 0.00 C ATOM 633 C VAL A 445 6.707 -0.923 5.037 1.00 0.00 C ATOM 634 O VAL A 445 5.591 -1.106 5.531 1.00 0.00 O ATOM 635 CB VAL A 445 6.306 1.079 3.604 1.00 0.00 C ATOM 636 CG1 VAL A 445 7.072 1.967 4.574 1.00 0.00 C ATOM 637 CG2 VAL A 445 6.362 1.649 2.194 1.00 0.00 C ATOM 0 H VAL A 445 5.209 -1.411 2.867 1.00 0.00 H new ATOM 0 HA VAL A 445 7.912 -0.344 3.356 1.00 0.00 H new ATOM 0 HB VAL A 445 5.264 1.051 3.922 1.00 0.00 H new ATOM 0 HG11 VAL A 445 6.666 2.978 4.540 1.00 0.00 H new ATOM 0 HG12 VAL A 445 6.974 1.571 5.585 1.00 0.00 H new ATOM 0 HG13 VAL A 445 8.125 1.989 4.293 1.00 0.00 H new ATOM 0 HG21 VAL A 445 5.969 2.666 2.197 1.00 0.00 H new ATOM 0 HG22 VAL A 445 7.395 1.660 1.847 1.00 0.00 H new ATOM 0 HG23 VAL A 445 5.762 1.030 1.527 1.00 0.00 H new ATOM 647 N GLU A 446 7.841 -1.198 5.677 1.00 0.00 N ATOM 648 CA GLU A 446 7.855 -1.741 7.030 1.00 0.00 C ATOM 649 C GLU A 446 8.869 -0.999 7.895 1.00 0.00 C ATOM 650 O GLU A 446 9.875 -0.501 7.393 1.00 0.00 O ATOM 651 CB GLU A 446 8.196 -3.231 7.000 1.00 0.00 C ATOM 652 CG GLU A 446 7.109 -4.093 6.381 1.00 0.00 C ATOM 653 CD GLU A 446 7.505 -4.651 5.027 1.00 0.00 C ATOM 654 OE1 GLU A 446 8.319 -5.596 4.990 1.00 0.00 O ATOM 655 OE2 GLU A 446 6.999 -4.142 4.005 1.00 0.00 O ATOM 0 H GLU A 446 8.767 -1.052 5.276 1.00 0.00 H new ATOM 0 HA GLU A 446 6.862 -1.610 7.460 1.00 0.00 H new ATOM 0 HB2 GLU A 446 9.121 -3.372 6.442 1.00 0.00 H new ATOM 0 HB3 GLU A 446 8.383 -3.573 8.018 1.00 0.00 H new ATOM 0 HG2 GLU A 446 6.876 -4.917 7.055 1.00 0.00 H new ATOM 0 HG3 GLU A 446 6.199 -3.502 6.274 1.00 0.00 H new ATOM 662 N ARG A 447 8.601 -0.928 9.195 1.00 0.00 N ATOM 663 CA ARG A 447 9.497 -0.244 10.122 1.00 0.00 C ATOM 664 C ARG A 447 10.391 -1.241 10.851 1.00 0.00 C ATOM 665 O ARG A 447 9.911 -2.086 11.607 1.00 0.00 O ATOM 666 CB ARG A 447 8.691 0.572 11.133 1.00 0.00 C ATOM 667 CG ARG A 447 8.280 1.943 10.619 1.00 0.00 C ATOM 668 CD ARG A 447 6.779 2.034 10.391 1.00 0.00 C ATOM 669 NE ARG A 447 6.196 3.194 11.060 1.00 0.00 N ATOM 670 CZ ARG A 447 6.278 4.437 10.591 1.00 0.00 C ATOM 671 NH1 ARG A 447 6.904 4.680 9.446 1.00 0.00 N ATOM 672 NH2 ARG A 447 5.727 5.438 11.264 1.00 0.00 N ATOM 0 H ARG A 447 7.773 -1.335 9.630 1.00 0.00 H new ATOM 0 HA ARG A 447 10.131 0.429 9.545 1.00 0.00 H new ATOM 0 HB2 ARG A 447 7.797 0.013 11.408 1.00 0.00 H new ATOM 0 HB3 ARG A 447 9.281 0.695 12.041 1.00 0.00 H new ATOM 0 HG2 ARG A 447 8.586 2.706 11.335 1.00 0.00 H new ATOM 0 HG3 ARG A 447 8.803 2.153 9.686 1.00 0.00 H new ATOM 0 HD2 ARG A 447 6.577 2.092 9.321 1.00 0.00 H new ATOM 0 HD3 ARG A 447 6.300 1.125 10.757 1.00 0.00 H new ATOM 0 HE ARG A 447 5.697 3.043 11.937 1.00 0.00 H new ATOM 0 HH11 ARG A 447 7.325 3.913 8.922 1.00 0.00 H new ATOM 0 HH12 ARG A 447 6.964 5.634 9.090 1.00 0.00 H new ATOM 0 HH21 ARG A 447 5.240 5.256 12.142 1.00 0.00 H new ATOM 0 HH22 ARG A 447 5.790 6.390 10.904 1.00 0.00 H new ATOM 686 N ALA A 448 11.697 -1.142 10.615 1.00 0.00 N ATOM 687 CA ALA A 448 12.665 -2.040 11.240 1.00 0.00 C ATOM 688 C ALA A 448 12.433 -2.169 12.746 1.00 0.00 C ATOM 689 O ALA A 448 12.522 -1.193 13.489 1.00 0.00 O ATOM 690 CB ALA A 448 14.084 -1.565 10.959 1.00 0.00 C ATOM 0 H ALA A 448 12.110 -0.447 9.994 1.00 0.00 H new ATOM 0 HA ALA A 448 12.527 -3.029 10.803 1.00 0.00 H new ATOM 0 HB1 ALA A 448 14.795 -2.243 11.431 1.00 0.00 H new ATOM 0 HB2 ALA A 448 14.256 -1.550 9.883 1.00 0.00 H new ATOM 0 HB3 ALA A 448 14.218 -0.561 11.362 1.00 0.00 H new ATOM 696 N ALA A 449 12.117 -3.386 13.176 1.00 0.00 N ATOM 697 CA ALA A 449 11.850 -3.669 14.585 1.00 0.00 C ATOM 698 C ALA A 449 12.860 -2.974 15.499 1.00 0.00 C ATOM 699 O ALA A 449 12.481 -2.270 16.434 1.00 0.00 O ATOM 700 CB ALA A 449 11.857 -5.172 14.826 1.00 0.00 C ATOM 0 H ALA A 449 12.039 -4.199 12.565 1.00 0.00 H new ATOM 0 HA ALA A 449 10.863 -3.274 14.827 1.00 0.00 H new ATOM 0 HB1 ALA A 449 11.657 -5.373 15.879 1.00 0.00 H new ATOM 0 HB2 ALA A 449 11.087 -5.642 14.214 1.00 0.00 H new ATOM 0 HB3 ALA A 449 12.832 -5.579 14.558 1.00 0.00 H new ATOM 706 N THR A 450 14.145 -3.173 15.222 1.00 0.00 N ATOM 707 CA THR A 450 15.202 -2.560 16.020 1.00 0.00 C ATOM 708 C THR A 450 15.365 -1.082 15.676 1.00 0.00 C ATOM 709 O THR A 450 15.720 -0.270 16.531 1.00 0.00 O ATOM 710 CB THR A 450 16.547 -3.279 15.806 1.00 0.00 C ATOM 711 OG1 THR A 450 16.564 -3.917 14.524 1.00 0.00 O ATOM 712 CG2 THR A 450 16.786 -4.313 16.895 1.00 0.00 C ATOM 0 H THR A 450 14.479 -3.753 14.452 1.00 0.00 H new ATOM 0 HA THR A 450 14.908 -2.654 17.066 1.00 0.00 H new ATOM 0 HB THR A 450 17.342 -2.535 15.851 1.00 0.00 H new ATOM 0 HG1 THR A 450 17.423 -4.370 14.396 1.00 0.00 H new ATOM 0 HG21 THR A 450 17.742 -4.808 16.723 1.00 0.00 H new ATOM 0 HG22 THR A 450 16.802 -3.820 17.867 1.00 0.00 H new ATOM 0 HG23 THR A 450 15.986 -5.053 16.876 1.00 0.00 H new ATOM 720 N ASP A 451 15.105 -0.741 14.419 1.00 0.00 N ATOM 721 CA ASP A 451 15.225 0.639 13.958 1.00 0.00 C ATOM 722 C ASP A 451 13.940 1.102 13.271 1.00 0.00 C ATOM 723 O ASP A 451 13.762 0.899 12.072 1.00 0.00 O ATOM 724 CB ASP A 451 16.408 0.777 13.000 1.00 0.00 C ATOM 725 CG ASP A 451 16.896 2.207 12.886 1.00 0.00 C ATOM 726 OD1 ASP A 451 16.082 3.086 12.534 1.00 0.00 O ATOM 727 OD2 ASP A 451 18.094 2.448 13.149 1.00 0.00 O ATOM 0 H ASP A 451 14.809 -1.401 13.700 1.00 0.00 H new ATOM 0 HA ASP A 451 15.395 1.272 14.829 1.00 0.00 H new ATOM 0 HB2 ASP A 451 17.226 0.143 13.343 1.00 0.00 H new ATOM 0 HB3 ASP A 451 16.117 0.416 12.014 1.00 0.00 H new ATOM 732 N PRO A 452 13.021 1.735 14.026 1.00 0.00 N ATOM 733 CA PRO A 452 11.752 2.222 13.476 1.00 0.00 C ATOM 734 C PRO A 452 11.930 3.437 12.565 1.00 0.00 C ATOM 735 O PRO A 452 10.976 3.891 11.934 1.00 0.00 O ATOM 736 CB PRO A 452 10.952 2.604 14.723 1.00 0.00 C ATOM 737 CG PRO A 452 11.981 2.932 15.747 1.00 0.00 C ATOM 738 CD PRO A 452 13.148 2.024 15.468 1.00 0.00 C ATOM 0 HA PRO A 452 11.269 1.472 12.850 1.00 0.00 H new ATOM 0 HB2 PRO A 452 10.300 3.456 14.530 1.00 0.00 H new ATOM 0 HB3 PRO A 452 10.314 1.783 15.051 1.00 0.00 H new ATOM 0 HG2 PRO A 452 12.277 3.979 15.681 1.00 0.00 H new ATOM 0 HG3 PRO A 452 11.594 2.773 16.754 1.00 0.00 H new ATOM 0 HD2 PRO A 452 14.097 2.508 15.699 1.00 0.00 H new ATOM 0 HD3 PRO A 452 13.101 1.114 16.066 1.00 0.00 H new ATOM 746 N LYS A 453 13.153 3.959 12.500 1.00 0.00 N ATOM 747 CA LYS A 453 13.445 5.120 11.664 1.00 0.00 C ATOM 748 C LYS A 453 14.037 4.701 10.318 1.00 0.00 C ATOM 749 O LYS A 453 14.070 5.493 9.376 1.00 0.00 O ATOM 750 CB LYS A 453 14.410 6.063 12.385 1.00 0.00 C ATOM 751 CG LYS A 453 14.097 6.244 13.863 1.00 0.00 C ATOM 752 CD LYS A 453 15.203 5.682 14.742 1.00 0.00 C ATOM 753 CE LYS A 453 16.532 6.373 14.478 1.00 0.00 C ATOM 754 NZ LYS A 453 17.436 5.540 13.637 1.00 0.00 N ATOM 0 H LYS A 453 13.956 3.597 13.015 1.00 0.00 H new ATOM 0 HA LYS A 453 12.506 5.640 11.476 1.00 0.00 H new ATOM 0 HB2 LYS A 453 15.425 5.679 12.282 1.00 0.00 H new ATOM 0 HB3 LYS A 453 14.386 7.037 11.896 1.00 0.00 H new ATOM 0 HG2 LYS A 453 13.962 7.304 14.080 1.00 0.00 H new ATOM 0 HG3 LYS A 453 13.156 5.748 14.100 1.00 0.00 H new ATOM 0 HD2 LYS A 453 14.932 5.802 15.791 1.00 0.00 H new ATOM 0 HD3 LYS A 453 15.306 4.612 14.560 1.00 0.00 H new ATOM 0 HE2 LYS A 453 16.353 7.327 13.982 1.00 0.00 H new ATOM 0 HE3 LYS A 453 17.021 6.594 15.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 18.232 5.200 14.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 16.909 4.726 13.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 17.800 6.111 12.848 1.00 0.00 H new ATOM 768 N ALA A 454 14.504 3.458 10.233 1.00 0.00 N ATOM 769 CA ALA A 454 15.092 2.949 8.998 1.00 0.00 C ATOM 770 C ALA A 454 14.056 2.868 7.886 1.00 0.00 C ATOM 771 O ALA A 454 14.129 3.599 6.899 1.00 0.00 O ATOM 772 CB ALA A 454 15.719 1.584 9.238 1.00 0.00 C ATOM 0 H ALA A 454 14.487 2.787 11.001 1.00 0.00 H new ATOM 0 HA ALA A 454 15.869 3.645 8.682 1.00 0.00 H new ATOM 0 HB1 ALA A 454 16.154 1.215 8.309 1.00 0.00 H new ATOM 0 HB2 ALA A 454 16.499 1.670 9.995 1.00 0.00 H new ATOM 0 HB3 ALA A 454 14.954 0.888 9.582 1.00 0.00 H new ATOM 778 N VAL A 455 13.093 1.970 8.054 1.00 0.00 N ATOM 779 CA VAL A 455 12.033 1.776 7.068 1.00 0.00 C ATOM 780 C VAL A 455 12.548 1.010 5.855 1.00 0.00 C ATOM 781 O VAL A 455 13.576 1.362 5.276 1.00 0.00 O ATOM 782 CB VAL A 455 11.429 3.116 6.600 1.00 0.00 C ATOM 783 CG1 VAL A 455 10.184 2.875 5.761 1.00 0.00 C ATOM 784 CG2 VAL A 455 11.111 4.010 7.789 1.00 0.00 C ATOM 0 H VAL A 455 13.023 1.360 8.869 1.00 0.00 H new ATOM 0 HA VAL A 455 11.252 1.196 7.561 1.00 0.00 H new ATOM 0 HB VAL A 455 12.167 3.626 5.981 1.00 0.00 H new ATOM 0 HG11 VAL A 455 9.771 3.831 5.439 1.00 0.00 H new ATOM 0 HG12 VAL A 455 10.445 2.280 4.886 1.00 0.00 H new ATOM 0 HG13 VAL A 455 9.442 2.341 6.355 1.00 0.00 H new ATOM 0 HG21 VAL A 455 10.686 4.949 7.435 1.00 0.00 H new ATOM 0 HG22 VAL A 455 10.393 3.509 8.439 1.00 0.00 H new ATOM 0 HG23 VAL A 455 12.025 4.213 8.347 1.00 0.00 H new ATOM 794 N VAL A 456 11.824 -0.037 5.473 1.00 0.00 N ATOM 795 CA VAL A 456 12.205 -0.853 4.326 1.00 0.00 C ATOM 796 C VAL A 456 11.291 -0.582 3.133 1.00 0.00 C ATOM 797 O VAL A 456 10.088 -0.378 3.296 1.00 0.00 O ATOM 798 CB VAL A 456 12.183 -2.368 4.666 1.00 0.00 C ATOM 799 CG1 VAL A 456 12.613 -2.606 6.106 1.00 0.00 C ATOM 800 CG2 VAL A 456 10.805 -2.973 4.420 1.00 0.00 C ATOM 0 H VAL A 456 10.970 -0.340 5.941 1.00 0.00 H new ATOM 0 HA VAL A 456 13.226 -0.574 4.064 1.00 0.00 H new ATOM 0 HB VAL A 456 12.893 -2.862 4.003 1.00 0.00 H new ATOM 0 HG11 VAL A 456 12.590 -3.674 6.321 1.00 0.00 H new ATOM 0 HG12 VAL A 456 13.625 -2.229 6.250 1.00 0.00 H new ATOM 0 HG13 VAL A 456 11.932 -2.086 6.780 1.00 0.00 H new ATOM 0 HG21 VAL A 456 10.824 -4.034 4.668 1.00 0.00 H new ATOM 0 HG22 VAL A 456 10.069 -2.468 5.045 1.00 0.00 H new ATOM 0 HG23 VAL A 456 10.536 -2.850 3.371 1.00 0.00 H new ATOM 810 N THR A 457 11.867 -0.581 1.935 1.00 0.00 N ATOM 811 CA THR A 457 11.098 -0.336 0.721 1.00 0.00 C ATOM 812 C THR A 457 11.416 -1.374 -0.350 1.00 0.00 C ATOM 813 O THR A 457 12.563 -1.504 -0.778 1.00 0.00 O ATOM 814 CB THR A 457 11.368 1.073 0.157 1.00 0.00 C ATOM 815 OG1 THR A 457 12.097 1.854 1.111 1.00 0.00 O ATOM 816 CG2 THR A 457 10.062 1.774 -0.189 1.00 0.00 C ATOM 0 H THR A 457 12.861 -0.747 1.779 1.00 0.00 H new ATOM 0 HA THR A 457 10.045 -0.411 0.993 1.00 0.00 H new ATOM 0 HB THR A 457 11.960 0.969 -0.752 1.00 0.00 H new ATOM 0 HG1 THR A 457 12.265 2.747 0.743 1.00 0.00 H new ATOM 0 HG21 THR A 457 10.276 2.767 -0.585 1.00 0.00 H new ATOM 0 HG22 THR A 457 9.524 1.192 -0.938 1.00 0.00 H new ATOM 0 HG23 THR A 457 9.449 1.866 0.708 1.00 0.00 H new ATOM 824 N THR A 458 10.397 -2.115 -0.773 1.00 0.00 N ATOM 825 CA THR A 458 10.573 -3.147 -1.790 1.00 0.00 C ATOM 826 C THR A 458 9.802 -2.820 -3.058 1.00 0.00 C ATOM 827 O THR A 458 8.614 -2.508 -3.014 1.00 0.00 O ATOM 828 CB THR A 458 10.123 -4.525 -1.271 1.00 0.00 C ATOM 829 OG1 THR A 458 10.298 -4.596 0.150 1.00 0.00 O ATOM 830 CG2 THR A 458 10.913 -5.638 -1.940 1.00 0.00 C ATOM 0 H THR A 458 9.442 -2.021 -0.428 1.00 0.00 H new ATOM 0 HA THR A 458 11.638 -3.179 -2.021 1.00 0.00 H new ATOM 0 HB THR A 458 9.068 -4.653 -1.513 1.00 0.00 H new ATOM 0 HG1 THR A 458 10.008 -5.475 0.472 1.00 0.00 H new ATOM 0 HG21 THR A 458 10.578 -6.602 -1.558 1.00 0.00 H new ATOM 0 HG22 THR A 458 10.754 -5.600 -3.018 1.00 0.00 H new ATOM 0 HG23 THR A 458 11.974 -5.511 -1.725 1.00 0.00 H new ATOM 838 N TYR A 459 10.493 -2.887 -4.190 1.00 0.00 N ATOM 839 CA TYR A 459 9.883 -2.591 -5.479 1.00 0.00 C ATOM 840 C TYR A 459 9.510 -3.865 -6.227 1.00 0.00 C ATOM 841 O TYR A 459 10.381 -4.624 -6.654 1.00 0.00 O ATOM 842 CB TYR A 459 10.841 -1.761 -6.338 1.00 0.00 C ATOM 843 CG TYR A 459 10.901 -0.292 -5.975 1.00 0.00 C ATOM 844 CD1 TYR A 459 9.918 0.304 -5.195 1.00 0.00 C ATOM 845 CD2 TYR A 459 11.948 0.503 -6.427 1.00 0.00 C ATOM 846 CE1 TYR A 459 9.974 1.646 -4.879 1.00 0.00 C ATOM 847 CE2 TYR A 459 12.013 1.847 -6.112 1.00 0.00 C ATOM 848 CZ TYR A 459 11.023 2.414 -5.338 1.00 0.00 C ATOM 849 OH TYR A 459 11.081 3.752 -5.022 1.00 0.00 O ATOM 0 H TYR A 459 11.479 -3.145 -4.240 1.00 0.00 H new ATOM 0 HA TYR A 459 8.972 -2.024 -5.289 1.00 0.00 H new ATOM 0 HB2 TYR A 459 11.842 -2.184 -6.254 1.00 0.00 H new ATOM 0 HB3 TYR A 459 10.543 -1.852 -7.383 1.00 0.00 H new ATOM 0 HD1 TYR A 459 9.096 -0.293 -4.830 1.00 0.00 H new ATOM 0 HD2 TYR A 459 12.724 0.063 -7.035 1.00 0.00 H new ATOM 0 HE1 TYR A 459 9.199 2.093 -4.274 1.00 0.00 H new ATOM 0 HE2 TYR A 459 12.835 2.450 -6.470 1.00 0.00 H new ATOM 0 HH TYR A 459 11.883 4.148 -5.422 1.00 0.00 H new ATOM 859 N GLU A 460 8.213 -4.087 -6.397 1.00 0.00 N ATOM 860 CA GLU A 460 7.724 -5.259 -7.108 1.00 0.00 C ATOM 861 C GLU A 460 7.430 -4.907 -8.563 1.00 0.00 C ATOM 862 O GLU A 460 6.366 -4.375 -8.880 1.00 0.00 O ATOM 863 CB GLU A 460 6.465 -5.806 -6.433 1.00 0.00 C ATOM 864 CG GLU A 460 6.742 -6.917 -5.433 1.00 0.00 C ATOM 865 CD GLU A 460 6.065 -6.683 -4.098 1.00 0.00 C ATOM 866 OE1 GLU A 460 4.822 -6.784 -4.035 1.00 0.00 O ATOM 867 OE2 GLU A 460 6.778 -6.398 -3.112 1.00 0.00 O ATOM 0 H GLU A 460 7.480 -3.468 -6.051 1.00 0.00 H new ATOM 0 HA GLU A 460 8.495 -6.029 -7.081 1.00 0.00 H new ATOM 0 HB2 GLU A 460 5.953 -4.990 -5.923 1.00 0.00 H new ATOM 0 HB3 GLU A 460 5.786 -6.180 -7.199 1.00 0.00 H new ATOM 0 HG2 GLU A 460 6.402 -7.866 -5.847 1.00 0.00 H new ATOM 0 HG3 GLU A 460 7.818 -7.003 -5.280 1.00 0.00 H new ATOM 874 N GLY A 461 8.382 -5.200 -9.444 1.00 0.00 N ATOM 875 CA GLY A 461 8.207 -4.900 -10.853 1.00 0.00 C ATOM 876 C GLY A 461 8.795 -3.554 -11.231 1.00 0.00 C ATOM 877 O GLY A 461 8.951 -2.678 -10.380 1.00 0.00 O ATOM 0 H GLY A 461 9.271 -5.640 -9.207 1.00 0.00 H new ATOM 0 HA2 GLY A 461 8.678 -5.681 -11.450 1.00 0.00 H new ATOM 0 HA3 GLY A 461 7.144 -4.911 -11.096 1.00 0.00 H new ATOM 881 N LYS A 462 9.122 -3.388 -12.509 1.00 0.00 N ATOM 882 CA LYS A 462 9.698 -2.138 -12.992 1.00 0.00 C ATOM 883 C LYS A 462 8.615 -1.196 -13.508 1.00 0.00 C ATOM 884 O LYS A 462 7.472 -1.600 -13.712 1.00 0.00 O ATOM 885 CB LYS A 462 10.716 -2.415 -14.098 1.00 0.00 C ATOM 886 CG LYS A 462 12.099 -2.765 -13.574 1.00 0.00 C ATOM 887 CD LYS A 462 12.739 -1.579 -12.870 1.00 0.00 C ATOM 888 CE LYS A 462 14.207 -1.833 -12.569 1.00 0.00 C ATOM 889 NZ LYS A 462 14.398 -2.531 -11.267 1.00 0.00 N ATOM 0 H LYS A 462 8.998 -4.102 -13.227 1.00 0.00 H new ATOM 0 HA LYS A 462 10.201 -1.656 -12.154 1.00 0.00 H new ATOM 0 HB2 LYS A 462 10.353 -3.234 -14.718 1.00 0.00 H new ATOM 0 HB3 LYS A 462 10.791 -1.538 -14.740 1.00 0.00 H new ATOM 0 HG2 LYS A 462 12.027 -3.605 -12.883 1.00 0.00 H new ATOM 0 HG3 LYS A 462 12.733 -3.086 -14.401 1.00 0.00 H new ATOM 0 HD2 LYS A 462 12.643 -0.690 -13.493 1.00 0.00 H new ATOM 0 HD3 LYS A 462 12.206 -1.376 -11.941 1.00 0.00 H new ATOM 0 HE2 LYS A 462 14.642 -2.432 -13.369 1.00 0.00 H new ATOM 0 HE3 LYS A 462 14.743 -0.884 -12.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 462 15.413 -2.684 -11.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 462 14.006 -1.948 -10.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 462 13.908 -3.448 -11.290 1.00 0.00 H new ATOM 903 N HIS A 463 8.987 0.062 -13.717 1.00 0.00 N ATOM 904 CA HIS A 463 8.051 1.066 -14.209 1.00 0.00 C ATOM 905 C HIS A 463 8.314 1.375 -15.680 1.00 0.00 C ATOM 906 O HIS A 463 9.464 1.489 -16.105 1.00 0.00 O ATOM 907 CB HIS A 463 8.155 2.346 -13.379 1.00 0.00 C ATOM 908 CG HIS A 463 7.952 2.130 -11.911 1.00 0.00 C ATOM 909 ND1 HIS A 463 6.777 2.443 -11.257 1.00 0.00 N ATOM 910 CD2 HIS A 463 8.782 1.633 -10.966 1.00 0.00 C ATOM 911 CE1 HIS A 463 6.895 2.150 -9.974 1.00 0.00 C ATOM 912 NE2 HIS A 463 8.104 1.657 -9.772 1.00 0.00 N ATOM 0 H HIS A 463 9.931 0.411 -13.553 1.00 0.00 H new ATOM 0 HA HIS A 463 7.042 0.665 -14.113 1.00 0.00 H new ATOM 0 HB2 HIS A 463 9.136 2.794 -13.539 1.00 0.00 H new ATOM 0 HB3 HIS A 463 7.416 3.062 -13.738 1.00 0.00 H new ATOM 0 HD2 HIS A 463 9.791 1.282 -11.122 1.00 0.00 H new ATOM 0 HE1 HIS A 463 6.134 2.289 -9.220 1.00 0.00 H new ATOM 0 HE2 HIS A 463 8.474 1.345 -8.874 1.00 0.00 H new ATOM 920 N ASN A 464 7.242 1.505 -16.454 1.00 0.00 N ATOM 921 CA ASN A 464 7.357 1.797 -17.877 1.00 0.00 C ATOM 922 C ASN A 464 6.989 3.249 -18.176 1.00 0.00 C ATOM 923 O ASN A 464 6.187 3.525 -19.068 1.00 0.00 O ATOM 924 CB ASN A 464 6.461 0.854 -18.683 1.00 0.00 C ATOM 925 CG ASN A 464 7.160 -0.445 -19.039 1.00 0.00 C ATOM 926 OD1 ASN A 464 8.340 -0.450 -19.389 1.00 0.00 O ATOM 927 ND2 ASN A 464 6.433 -1.553 -18.950 1.00 0.00 N ATOM 0 H ASN A 464 6.283 1.413 -16.119 1.00 0.00 H new ATOM 0 HA ASN A 464 8.396 1.643 -18.169 1.00 0.00 H new ATOM 0 HB2 ASN A 464 5.561 0.634 -18.109 1.00 0.00 H new ATOM 0 HB3 ASN A 464 6.142 1.354 -19.597 1.00 0.00 H new ATOM 0 HD21 ASN A 464 6.850 -2.456 -19.176 1.00 0.00 H new ATOM 0 HD22 ASN A 464 5.458 -1.501 -18.655 1.00 0.00 H new ATOM 934 N HIS A 465 7.581 4.176 -17.427 1.00 0.00 N ATOM 935 CA HIS A 465 7.316 5.598 -17.618 1.00 0.00 C ATOM 936 C HIS A 465 8.448 6.436 -17.041 1.00 0.00 C ATOM 937 O HIS A 465 8.221 7.337 -16.235 1.00 0.00 O ATOM 938 CB HIS A 465 5.995 5.984 -16.964 1.00 0.00 C ATOM 939 CG HIS A 465 5.929 5.664 -15.502 1.00 0.00 C ATOM 940 ND1 HIS A 465 6.608 6.382 -14.541 1.00 0.00 N ATOM 941 CD2 HIS A 465 5.259 4.692 -14.837 1.00 0.00 C ATOM 942 CE1 HIS A 465 6.360 5.867 -13.349 1.00 0.00 C ATOM 943 NE2 HIS A 465 5.543 4.842 -13.502 1.00 0.00 N ATOM 0 H HIS A 465 8.247 3.967 -16.683 1.00 0.00 H new ATOM 0 HA HIS A 465 7.249 5.793 -18.688 1.00 0.00 H new ATOM 0 HB2 HIS A 465 5.831 7.053 -17.100 1.00 0.00 H new ATOM 0 HB3 HIS A 465 5.182 5.469 -17.476 1.00 0.00 H new ATOM 0 HD1 HIS A 465 7.209 7.186 -14.722 1.00 0.00 H new ATOM 0 HD2 HIS A 465 4.620 3.939 -15.275 1.00 0.00 H new ATOM 0 HE1 HIS A 465 6.758 6.224 -12.411 1.00 0.00 H new