USER MOD reduce.3.24.130724 H: found=0, std=0, add=329, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 332 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 Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD Single : A 423 LYS NZ :NH3+ -169:sc= -0.0315 (180deg=-0.22) USER MOD Single : A 425 SER OG : rot 180:sc= 0 USER MOD Single : A 426 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 427 SER OG : rot 180:sc= 0 USER MOD Single : A 432 THR OG1 : rot 180:sc= -0.0831 USER MOD Single : A 433 GLN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 434 THR OG1 : rot 180:sc= 0.0399 USER MOD Single : A 435 GLN :FLIP amide:sc= -0.795 F(o=-1.4!,f=-0.79) USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 USER MOD Single : A 441 THR OG1 : rot 44:sc= 0.05 USER MOD Single : A 442 THR OG1 : rot -29:sc= 0.595 USER MOD Single : A 445 LYS NZ :NH3+ -136:sc= 2.37 (180deg=0.71) USER MOD Single : A 447 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 449 LYS NZ :NH3+ -152:sc= 1.15 (180deg=0.163) USER MOD Single : A 452 LYS NZ :NH3+ -158:sc= 1.1 (180deg=0.739) USER MOD Single : A 455 LYS NZ :NH3+ 133:sc= 1.16 (180deg=-0.344) USER MOD Single : A 456 SER OG : rot 180:sc= 0 USER MOD Single : A 460 LYS NZ :NH3+ 172:sc=-0.00724 (180deg=-0.161) USER MOD Single : A 465 THR OG1 : rot 180:sc= 0 USER MOD Single : A 467 LYS NZ :NH3+ -119:sc= 1.19 (180deg=-0.577) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 421 -9.654 -24.327 -10.187 1.00 0.00 N ATOM 2 CA GLY A 421 -9.405 -23.026 -9.526 1.00 0.00 C ATOM 3 C GLY A 421 -9.554 -23.114 -8.022 1.00 0.00 C ATOM 4 O GLY A 421 -9.167 -24.114 -7.414 1.00 0.00 O ATOM 0 HA2 GLY A 421 -8.400 -22.682 -9.771 1.00 0.00 H new ATOM 0 HA3 GLY A 421 -10.100 -22.283 -9.916 1.00 0.00 H new ATOM 10 N THR A 422 -10.133 -22.077 -7.430 1.00 0.00 N ATOM 11 CA THR A 422 -10.349 -22.018 -5.987 1.00 0.00 C ATOM 12 C THR A 422 -9.017 -22.122 -5.231 1.00 0.00 C ATOM 13 O THR A 422 -8.888 -22.877 -4.268 1.00 0.00 O ATOM 14 CB THR A 422 -11.316 -23.128 -5.514 1.00 0.00 C ATOM 15 OG1 THR A 422 -12.394 -23.267 -6.456 1.00 0.00 O ATOM 16 CG2 THR A 422 -11.896 -22.807 -4.141 1.00 0.00 C ATOM 0 H THR A 422 -10.466 -21.255 -7.933 1.00 0.00 H new ATOM 0 HA THR A 422 -10.805 -21.053 -5.765 1.00 0.00 H new ATOM 0 HB THR A 422 -10.752 -24.058 -5.447 1.00 0.00 H new ATOM 0 HG1 THR A 422 -13.004 -23.972 -6.154 1.00 0.00 H new ATOM 0 HG21 THR A 422 -12.572 -23.606 -3.836 1.00 0.00 H new ATOM 0 HG22 THR A 422 -11.087 -22.719 -3.416 1.00 0.00 H new ATOM 0 HG23 THR A 422 -12.444 -21.866 -4.189 1.00 0.00 H new ATOM 24 N LYS A 423 -8.046 -21.321 -5.649 1.00 0.00 N ATOM 25 CA LYS A 423 -6.752 -21.262 -4.980 1.00 0.00 C ATOM 26 C LYS A 423 -5.992 -20.028 -5.440 1.00 0.00 C ATOM 27 O LYS A 423 -6.100 -19.617 -6.599 1.00 0.00 O ATOM 28 CB LYS A 423 -5.914 -22.526 -5.240 1.00 0.00 C ATOM 29 CG LYS A 423 -5.269 -22.589 -6.620 1.00 0.00 C ATOM 30 CD LYS A 423 -5.943 -23.611 -7.520 1.00 0.00 C ATOM 31 CE LYS A 423 -5.853 -25.015 -6.941 1.00 0.00 C ATOM 32 NZ LYS A 423 -4.442 -25.448 -6.724 1.00 0.00 N ATOM 0 H LYS A 423 -8.131 -20.699 -6.453 1.00 0.00 H new ATOM 0 HA LYS A 423 -6.933 -21.204 -3.907 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -5.131 -22.588 -4.484 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -6.551 -23.401 -5.111 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -5.319 -21.606 -7.088 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -4.213 -22.839 -6.515 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -6.990 -23.340 -7.658 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -5.476 -23.593 -8.505 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -6.391 -25.050 -5.994 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -6.346 -25.716 -7.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -4.420 -26.465 -6.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -3.886 -25.265 -7.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -4.034 -24.917 -5.928 1.00 0.00 H new ATOM 46 N ALA A 424 -5.235 -19.432 -4.537 1.00 0.00 N ATOM 47 CA ALA A 424 -4.459 -18.253 -4.868 1.00 0.00 C ATOM 48 C ALA A 424 -3.215 -18.157 -3.998 1.00 0.00 C ATOM 49 O ALA A 424 -2.099 -18.270 -4.502 1.00 0.00 O ATOM 50 CB ALA A 424 -5.305 -16.996 -4.727 1.00 0.00 C ATOM 0 H ALA A 424 -5.142 -19.745 -3.571 1.00 0.00 H new ATOM 0 HA ALA A 424 -4.141 -18.341 -5.907 1.00 0.00 H new ATOM 0 HB1 ALA A 424 -4.704 -16.123 -4.980 1.00 0.00 H new ATOM 0 HB2 ALA A 424 -6.160 -17.055 -5.400 1.00 0.00 H new ATOM 0 HB3 ALA A 424 -5.658 -16.908 -3.699 1.00 0.00 H new ATOM 56 N SER A 425 -3.405 -18.006 -2.688 1.00 0.00 N ATOM 57 CA SER A 425 -2.276 -17.901 -1.775 1.00 0.00 C ATOM 58 C SER A 425 -2.714 -17.978 -0.312 1.00 0.00 C ATOM 59 O SER A 425 -2.157 -18.754 0.466 1.00 0.00 O ATOM 60 CB SER A 425 -1.533 -16.582 -2.028 1.00 0.00 C ATOM 61 OG SER A 425 -0.360 -16.479 -1.236 1.00 0.00 O ATOM 0 H SER A 425 -4.321 -17.954 -2.242 1.00 0.00 H new ATOM 0 HA SER A 425 -1.614 -18.746 -1.964 1.00 0.00 H new ATOM 0 HB2 SER A 425 -1.267 -16.511 -3.083 1.00 0.00 H new ATOM 0 HB3 SER A 425 -2.195 -15.744 -1.809 1.00 0.00 H new ATOM 0 HG SER A 425 0.088 -15.628 -1.424 1.00 0.00 H new ATOM 67 N LYS A 426 -3.632 -17.103 0.088 1.00 0.00 N ATOM 68 CA LYS A 426 -4.007 -16.994 1.493 1.00 0.00 C ATOM 69 C LYS A 426 -5.001 -18.067 1.929 1.00 0.00 C ATOM 70 O LYS A 426 -4.875 -18.612 3.028 1.00 0.00 O ATOM 71 CB LYS A 426 -4.553 -15.595 1.809 1.00 0.00 C ATOM 72 CG LYS A 426 -5.718 -15.152 0.942 1.00 0.00 C ATOM 73 CD LYS A 426 -6.049 -13.690 1.191 1.00 0.00 C ATOM 74 CE LYS A 426 -7.173 -13.203 0.292 1.00 0.00 C ATOM 75 NZ LYS A 426 -7.355 -11.731 0.384 1.00 0.00 N ATOM 0 H LYS A 426 -4.126 -16.464 -0.535 1.00 0.00 H new ATOM 0 HA LYS A 426 -3.095 -17.157 2.067 1.00 0.00 H new ATOM 0 HB2 LYS A 426 -4.866 -15.570 2.853 1.00 0.00 H new ATOM 0 HB3 LYS A 426 -3.744 -14.872 1.702 1.00 0.00 H new ATOM 0 HG2 LYS A 426 -5.472 -15.300 -0.109 1.00 0.00 H new ATOM 0 HG3 LYS A 426 -6.591 -15.769 1.155 1.00 0.00 H new ATOM 0 HD2 LYS A 426 -6.334 -13.555 2.234 1.00 0.00 H new ATOM 0 HD3 LYS A 426 -5.160 -13.083 1.022 1.00 0.00 H new ATOM 0 HE2 LYS A 426 -6.958 -13.479 -0.740 1.00 0.00 H new ATOM 0 HE3 LYS A 426 -8.102 -13.702 0.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 426 -8.131 -11.437 -0.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 426 -7.585 -11.470 1.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 426 -6.477 -11.254 0.096 1.00 0.00 H new ATOM 89 N SER A 427 -6.013 -18.337 1.111 1.00 0.00 N ATOM 90 CA SER A 427 -7.047 -19.295 1.488 1.00 0.00 C ATOM 91 C SER A 427 -7.978 -19.589 0.315 1.00 0.00 C ATOM 92 O SER A 427 -9.152 -19.207 0.324 1.00 0.00 O ATOM 93 CB SER A 427 -7.852 -18.767 2.683 1.00 0.00 C ATOM 94 OG SER A 427 -8.648 -19.790 3.260 1.00 0.00 O ATOM 0 H SER A 427 -6.139 -17.912 0.193 1.00 0.00 H new ATOM 0 HA SER A 427 -6.556 -20.225 1.774 1.00 0.00 H new ATOM 0 HB2 SER A 427 -7.172 -18.366 3.434 1.00 0.00 H new ATOM 0 HB3 SER A 427 -8.491 -17.945 2.360 1.00 0.00 H new ATOM 0 HG SER A 427 -9.149 -19.426 4.020 1.00 0.00 H new ATOM 100 N GLY A 428 -7.454 -20.278 -0.687 1.00 0.00 N ATOM 101 CA GLY A 428 -8.252 -20.635 -1.839 1.00 0.00 C ATOM 102 C GLY A 428 -8.659 -19.427 -2.648 1.00 0.00 C ATOM 103 O GLY A 428 -7.821 -18.591 -2.984 1.00 0.00 O ATOM 0 H GLY A 428 -6.486 -20.597 -0.722 1.00 0.00 H new ATOM 0 HA2 GLY A 428 -7.688 -21.320 -2.471 1.00 0.00 H new ATOM 0 HA3 GLY A 428 -9.145 -21.167 -1.510 1.00 0.00 H new ATOM 107 N VAL A 429 -9.951 -19.304 -2.909 1.00 0.00 N ATOM 108 CA VAL A 429 -10.475 -18.148 -3.618 1.00 0.00 C ATOM 109 C VAL A 429 -10.269 -16.881 -2.781 1.00 0.00 C ATOM 110 O VAL A 429 -10.619 -16.838 -1.602 1.00 0.00 O ATOM 111 CB VAL A 429 -11.975 -18.331 -3.971 1.00 0.00 C ATOM 112 CG1 VAL A 429 -12.796 -18.665 -2.732 1.00 0.00 C ATOM 113 CG2 VAL A 429 -12.531 -17.094 -4.663 1.00 0.00 C ATOM 0 H VAL A 429 -10.656 -19.991 -2.640 1.00 0.00 H new ATOM 0 HA VAL A 429 -9.927 -18.048 -4.555 1.00 0.00 H new ATOM 0 HB VAL A 429 -12.049 -19.170 -4.663 1.00 0.00 H new ATOM 0 HG11 VAL A 429 -13.843 -18.787 -3.011 1.00 0.00 H new ATOM 0 HG12 VAL A 429 -12.428 -19.591 -2.290 1.00 0.00 H new ATOM 0 HG13 VAL A 429 -12.706 -17.856 -2.007 1.00 0.00 H new ATOM 0 HG21 VAL A 429 -13.584 -17.251 -4.898 1.00 0.00 H new ATOM 0 HG22 VAL A 429 -12.431 -16.232 -4.003 1.00 0.00 H new ATOM 0 HG23 VAL A 429 -11.977 -16.912 -5.584 1.00 0.00 H new ATOM 123 N PRO A 430 -9.595 -15.872 -3.350 1.00 0.00 N ATOM 124 CA PRO A 430 -9.266 -14.636 -2.631 1.00 0.00 C ATOM 125 C PRO A 430 -10.442 -13.669 -2.555 1.00 0.00 C ATOM 126 O PRO A 430 -10.302 -12.565 -2.028 1.00 0.00 O ATOM 127 CB PRO A 430 -8.134 -14.042 -3.468 1.00 0.00 C ATOM 128 CG PRO A 430 -8.399 -14.522 -4.852 1.00 0.00 C ATOM 129 CD PRO A 430 -9.030 -15.882 -4.714 1.00 0.00 C ATOM 0 HA PRO A 430 -8.998 -14.826 -1.592 1.00 0.00 H new ATOM 0 HB2 PRO A 430 -8.134 -12.953 -3.419 1.00 0.00 H new ATOM 0 HB3 PRO A 430 -7.160 -14.377 -3.112 1.00 0.00 H new ATOM 0 HG2 PRO A 430 -9.062 -13.837 -5.381 1.00 0.00 H new ATOM 0 HG3 PRO A 430 -7.475 -14.579 -5.428 1.00 0.00 H new ATOM 0 HD2 PRO A 430 -9.803 -16.042 -5.466 1.00 0.00 H new ATOM 0 HD3 PRO A 430 -8.296 -16.678 -4.837 1.00 0.00 H new ATOM 137 N VAL A 431 -11.583 -14.096 -3.117 1.00 0.00 N ATOM 138 CA VAL A 431 -12.824 -13.306 -3.175 1.00 0.00 C ATOM 139 C VAL A 431 -12.561 -11.848 -3.560 1.00 0.00 C ATOM 140 O VAL A 431 -13.134 -10.916 -2.986 1.00 0.00 O ATOM 141 CB VAL A 431 -13.657 -13.390 -1.863 1.00 0.00 C ATOM 142 CG1 VAL A 431 -14.044 -14.832 -1.577 1.00 0.00 C ATOM 143 CG2 VAL A 431 -12.927 -12.793 -0.665 1.00 0.00 C ATOM 0 H VAL A 431 -11.672 -15.015 -3.551 1.00 0.00 H new ATOM 0 HA VAL A 431 -13.424 -13.759 -3.964 1.00 0.00 H new ATOM 0 HB VAL A 431 -14.556 -12.794 -2.018 1.00 0.00 H new ATOM 0 HG11 VAL A 431 -14.626 -14.877 -0.657 1.00 0.00 H new ATOM 0 HG12 VAL A 431 -14.641 -15.219 -2.403 1.00 0.00 H new ATOM 0 HG13 VAL A 431 -13.143 -15.435 -1.466 1.00 0.00 H new ATOM 0 HG21 VAL A 431 -13.554 -12.878 0.223 1.00 0.00 H new ATOM 0 HG22 VAL A 431 -11.993 -13.331 -0.503 1.00 0.00 H new ATOM 0 HG23 VAL A 431 -12.711 -11.742 -0.857 1.00 0.00 H new ATOM 153 N THR A 432 -11.682 -11.667 -4.534 1.00 0.00 N ATOM 154 CA THR A 432 -11.298 -10.343 -4.992 1.00 0.00 C ATOM 155 C THR A 432 -12.469 -9.627 -5.664 1.00 0.00 C ATOM 156 O THR A 432 -13.210 -10.220 -6.454 1.00 0.00 O ATOM 157 CB THR A 432 -10.116 -10.438 -5.972 1.00 0.00 C ATOM 158 OG1 THR A 432 -9.150 -11.366 -5.465 1.00 0.00 O ATOM 159 CG2 THR A 432 -9.458 -9.081 -6.172 1.00 0.00 C ATOM 0 H THR A 432 -11.218 -12.430 -5.026 1.00 0.00 H new ATOM 0 HA THR A 432 -10.997 -9.764 -4.119 1.00 0.00 H new ATOM 0 HB THR A 432 -10.495 -10.781 -6.935 1.00 0.00 H new ATOM 0 HG1 THR A 432 -8.397 -11.429 -6.089 1.00 0.00 H new ATOM 0 HG21 THR A 432 -8.626 -9.179 -6.869 1.00 0.00 H new ATOM 0 HG22 THR A 432 -10.188 -8.379 -6.574 1.00 0.00 H new ATOM 0 HG23 THR A 432 -9.088 -8.712 -5.216 1.00 0.00 H new ATOM 167 N GLN A 433 -12.635 -8.355 -5.343 1.00 0.00 N ATOM 168 CA GLN A 433 -13.714 -7.559 -5.905 1.00 0.00 C ATOM 169 C GLN A 433 -13.316 -6.091 -5.982 1.00 0.00 C ATOM 170 O GLN A 433 -13.570 -5.421 -6.984 1.00 0.00 O ATOM 171 CB GLN A 433 -14.985 -7.713 -5.069 1.00 0.00 C ATOM 172 CG GLN A 433 -16.148 -6.881 -5.581 1.00 0.00 C ATOM 173 CD GLN A 433 -17.371 -6.978 -4.696 1.00 0.00 C ATOM 174 OE1 GLN A 433 -17.297 -6.759 -3.489 1.00 0.00 O ATOM 175 NE2 GLN A 433 -18.509 -7.296 -5.291 1.00 0.00 N ATOM 0 H GLN A 433 -12.033 -7.849 -4.693 1.00 0.00 H new ATOM 0 HA GLN A 433 -13.911 -7.920 -6.914 1.00 0.00 H new ATOM 0 HB2 GLN A 433 -15.277 -8.763 -5.056 1.00 0.00 H new ATOM 0 HB3 GLN A 433 -14.770 -7.429 -4.039 1.00 0.00 H new ATOM 0 HG2 GLN A 433 -15.839 -5.838 -5.653 1.00 0.00 H new ATOM 0 HG3 GLN A 433 -16.407 -7.207 -6.588 1.00 0.00 H new ATOM 0 HE21 GLN A 433 -18.528 -7.470 -6.296 1.00 0.00 H new ATOM 0 HE22 GLN A 433 -19.368 -7.367 -4.745 1.00 0.00 H new ATOM 184 N THR A 434 -12.657 -5.599 -4.942 1.00 0.00 N ATOM 185 CA THR A 434 -12.218 -4.211 -4.907 1.00 0.00 C ATOM 186 C THR A 434 -10.919 -4.008 -5.686 1.00 0.00 C ATOM 187 O THR A 434 -10.101 -3.155 -5.338 1.00 0.00 O ATOM 188 CB THR A 434 -12.028 -3.721 -3.462 1.00 0.00 C ATOM 189 OG1 THR A 434 -11.390 -4.739 -2.680 1.00 0.00 O ATOM 190 CG2 THR A 434 -13.360 -3.347 -2.832 1.00 0.00 C ATOM 0 H THR A 434 -12.415 -6.140 -4.112 1.00 0.00 H new ATOM 0 HA THR A 434 -13.004 -3.624 -5.382 1.00 0.00 H new ATOM 0 HB THR A 434 -11.398 -2.832 -3.485 1.00 0.00 H new ATOM 0 HG1 THR A 434 -11.271 -4.419 -1.761 1.00 0.00 H new ATOM 0 HG21 THR A 434 -13.196 -3.004 -1.810 1.00 0.00 H new ATOM 0 HG22 THR A 434 -13.826 -2.550 -3.412 1.00 0.00 H new ATOM 0 HG23 THR A 434 -14.015 -4.218 -2.821 1.00 0.00 H new ATOM 198 N GLN A 435 -10.789 -4.707 -6.802 1.00 0.00 N ATOM 199 CA GLN A 435 -9.653 -4.536 -7.693 1.00 0.00 C ATOM 200 C GLN A 435 -10.131 -4.584 -9.135 1.00 0.00 C ATOM 201 O GLN A 435 -10.284 -5.661 -9.716 1.00 0.00 O ATOM 202 CB GLN A 435 -8.587 -5.611 -7.452 1.00 0.00 C ATOM 203 CG GLN A 435 -7.903 -5.512 -6.094 1.00 0.00 C ATOM 204 CD GLN A 435 -6.783 -6.521 -5.909 1.00 0.00 C ATOM 205 OE1 GLN A 435 -6.517 -7.319 -6.933 1.00 0.00 O flip ATOM 206 NE2 GLN A 435 -6.156 -6.579 -4.851 1.00 0.00 N flip ATOM 0 H GLN A 435 -11.464 -5.405 -7.114 1.00 0.00 H new ATOM 0 HA GLN A 435 -9.197 -3.567 -7.489 1.00 0.00 H new ATOM 0 HB2 GLN A 435 -9.050 -6.594 -7.544 1.00 0.00 H new ATOM 0 HB3 GLN A 435 -7.831 -5.540 -8.234 1.00 0.00 H new ATOM 0 HG2 GLN A 435 -7.501 -4.507 -5.970 1.00 0.00 H new ATOM 0 HG3 GLN A 435 -8.646 -5.657 -5.310 1.00 0.00 H new ATOM 0 HE21 GLN A 435 -6.390 -5.948 -4.084 1.00 0.00 H new ATOM 0 HE22 GLN A 435 -5.403 -7.258 -4.741 1.00 0.00 H new ATOM 215 N THR A 436 -10.468 -3.419 -9.662 1.00 0.00 N ATOM 216 CA THR A 436 -11.031 -3.317 -10.997 1.00 0.00 C ATOM 217 C THR A 436 -10.397 -2.152 -11.757 1.00 0.00 C ATOM 218 O THR A 436 -10.117 -1.101 -11.170 1.00 0.00 O ATOM 219 CB THR A 436 -12.557 -3.112 -10.929 1.00 0.00 C ATOM 220 OG1 THR A 436 -13.122 -3.987 -9.944 1.00 0.00 O ATOM 221 CG2 THR A 436 -13.206 -3.387 -12.278 1.00 0.00 C ATOM 0 H THR A 436 -10.360 -2.526 -9.182 1.00 0.00 H new ATOM 0 HA THR A 436 -10.819 -4.248 -11.523 1.00 0.00 H new ATOM 0 HB THR A 436 -12.747 -2.074 -10.656 1.00 0.00 H new ATOM 0 HG1 THR A 436 -14.092 -3.852 -9.904 1.00 0.00 H new ATOM 0 HG21 THR A 436 -14.283 -3.235 -12.202 1.00 0.00 H new ATOM 0 HG22 THR A 436 -12.796 -2.707 -13.025 1.00 0.00 H new ATOM 0 HG23 THR A 436 -13.005 -4.416 -12.575 1.00 0.00 H new ATOM 229 N ALA A 437 -10.147 -2.366 -13.049 1.00 0.00 N ATOM 230 CA ALA A 437 -9.538 -1.359 -13.919 1.00 0.00 C ATOM 231 C ALA A 437 -8.113 -1.030 -13.481 1.00 0.00 C ATOM 232 O ALA A 437 -7.717 0.137 -13.453 1.00 0.00 O ATOM 233 CB ALA A 437 -10.393 -0.099 -13.970 1.00 0.00 C ATOM 0 H ALA A 437 -10.361 -3.244 -13.523 1.00 0.00 H new ATOM 0 HA ALA A 437 -9.486 -1.779 -14.924 1.00 0.00 H new ATOM 0 HB1 ALA A 437 -9.920 0.635 -14.623 1.00 0.00 H new ATOM 0 HB2 ALA A 437 -11.382 -0.346 -14.357 1.00 0.00 H new ATOM 0 HB3 ALA A 437 -10.489 0.316 -12.967 1.00 0.00 H new ATOM 239 N GLY A 438 -7.337 -2.069 -13.192 1.00 0.00 N ATOM 240 CA GLY A 438 -5.947 -1.881 -12.819 1.00 0.00 C ATOM 241 C GLY A 438 -5.784 -1.117 -11.521 1.00 0.00 C ATOM 242 O GLY A 438 -5.008 -0.165 -11.446 1.00 0.00 O ATOM 0 H GLY A 438 -7.647 -3.041 -13.210 1.00 0.00 H new ATOM 0 HA2 GLY A 438 -5.466 -2.855 -12.725 1.00 0.00 H new ATOM 0 HA3 GLY A 438 -5.431 -1.347 -13.617 1.00 0.00 H new ATOM 246 N ALA A 439 -6.509 -1.538 -10.496 1.00 0.00 N ATOM 247 CA ALA A 439 -6.419 -0.908 -9.188 1.00 0.00 C ATOM 248 C ALA A 439 -5.068 -1.207 -8.551 1.00 0.00 C ATOM 249 O ALA A 439 -4.613 -2.353 -8.569 1.00 0.00 O ATOM 250 CB ALA A 439 -7.548 -1.391 -8.291 1.00 0.00 C ATOM 0 H ALA A 439 -7.168 -2.315 -10.545 1.00 0.00 H new ATOM 0 HA ALA A 439 -6.513 0.171 -9.312 1.00 0.00 H new ATOM 0 HB1 ALA A 439 -7.468 -0.911 -7.315 1.00 0.00 H new ATOM 0 HB2 ALA A 439 -8.506 -1.136 -8.743 1.00 0.00 H new ATOM 0 HB3 ALA A 439 -7.480 -2.472 -8.170 1.00 0.00 H new ATOM 256 N ASP A 440 -4.415 -0.173 -8.029 1.00 0.00 N ATOM 257 CA ASP A 440 -3.096 -0.328 -7.421 1.00 0.00 C ATOM 258 C ASP A 440 -3.170 -1.224 -6.194 1.00 0.00 C ATOM 259 O ASP A 440 -3.826 -0.888 -5.204 1.00 0.00 O ATOM 260 CB ASP A 440 -2.506 1.031 -7.025 1.00 0.00 C ATOM 261 CG ASP A 440 -2.092 1.875 -8.216 1.00 0.00 C ATOM 262 OD1 ASP A 440 -2.971 2.298 -8.994 1.00 0.00 O ATOM 263 OD2 ASP A 440 -0.878 2.130 -8.373 1.00 0.00 O ATOM 0 H ASP A 440 -4.777 0.781 -8.014 1.00 0.00 H new ATOM 0 HA ASP A 440 -2.446 -0.790 -8.164 1.00 0.00 H new ATOM 0 HB2 ASP A 440 -3.241 1.581 -6.437 1.00 0.00 H new ATOM 0 HB3 ASP A 440 -1.640 0.870 -6.384 1.00 0.00 H new ATOM 268 N THR A 441 -2.516 -2.371 -6.268 1.00 0.00 N ATOM 269 CA THR A 441 -2.509 -3.314 -5.166 1.00 0.00 C ATOM 270 C THR A 441 -1.545 -2.864 -4.076 1.00 0.00 C ATOM 271 O THR A 441 -0.361 -2.649 -4.337 1.00 0.00 O ATOM 272 CB THR A 441 -2.122 -4.725 -5.648 1.00 0.00 C ATOM 273 OG1 THR A 441 -1.024 -4.641 -6.570 1.00 0.00 O ATOM 274 CG2 THR A 441 -3.300 -5.413 -6.315 1.00 0.00 C ATOM 0 H THR A 441 -1.982 -2.671 -7.083 1.00 0.00 H new ATOM 0 HA THR A 441 -3.518 -3.348 -4.756 1.00 0.00 H new ATOM 0 HB THR A 441 -1.825 -5.314 -4.780 1.00 0.00 H new ATOM 0 HG1 THR A 441 -0.359 -4.007 -6.230 1.00 0.00 H new ATOM 0 HG21 THR A 441 -3.001 -6.407 -6.646 1.00 0.00 H new ATOM 0 HG22 THR A 441 -4.121 -5.499 -5.604 1.00 0.00 H new ATOM 0 HG23 THR A 441 -3.625 -4.827 -7.175 1.00 0.00 H new ATOM 282 N THR A 442 -2.050 -2.717 -2.859 1.00 0.00 N ATOM 283 CA THR A 442 -1.220 -2.318 -1.731 1.00 0.00 C ATOM 284 C THR A 442 -1.905 -2.675 -0.412 1.00 0.00 C ATOM 285 O THR A 442 -1.297 -3.298 0.457 1.00 0.00 O ATOM 286 CB THR A 442 -0.916 -0.799 -1.735 1.00 0.00 C ATOM 287 OG1 THR A 442 -0.476 -0.365 -3.031 1.00 0.00 O ATOM 288 CG2 THR A 442 0.155 -0.461 -0.706 1.00 0.00 C ATOM 0 H THR A 442 -3.032 -2.868 -2.627 1.00 0.00 H new ATOM 0 HA THR A 442 -0.279 -2.859 -1.829 1.00 0.00 H new ATOM 0 HB THR A 442 -1.840 -0.280 -1.480 1.00 0.00 H new ATOM 0 HG1 THR A 442 -0.032 -1.107 -3.491 1.00 0.00 H new ATOM 0 HG21 THR A 442 0.353 0.611 -0.726 1.00 0.00 H new ATOM 0 HG22 THR A 442 -0.191 -0.748 0.287 1.00 0.00 H new ATOM 0 HG23 THR A 442 1.070 -1.004 -0.942 1.00 0.00 H new ATOM 296 N ALA A 443 -3.163 -2.253 -0.265 1.00 0.00 N ATOM 297 CA ALA A 443 -3.945 -2.497 0.953 1.00 0.00 C ATOM 298 C ALA A 443 -3.226 -1.954 2.189 1.00 0.00 C ATOM 299 O ALA A 443 -3.288 -2.543 3.270 1.00 0.00 O ATOM 300 CB ALA A 443 -4.240 -3.983 1.110 1.00 0.00 C ATOM 0 H ALA A 443 -3.668 -1.734 -0.983 1.00 0.00 H new ATOM 0 HA ALA A 443 -4.892 -1.965 0.858 1.00 0.00 H new ATOM 0 HB1 ALA A 443 -4.820 -4.145 2.018 1.00 0.00 H new ATOM 0 HB2 ALA A 443 -4.808 -4.334 0.249 1.00 0.00 H new ATOM 0 HB3 ALA A 443 -3.302 -4.535 1.175 1.00 0.00 H new ATOM 306 N GLU A 444 -2.546 -0.827 2.003 1.00 0.00 N ATOM 307 CA GLU A 444 -1.768 -0.175 3.058 1.00 0.00 C ATOM 308 C GLU A 444 -0.804 -1.144 3.728 1.00 0.00 C ATOM 309 O GLU A 444 -0.487 -1.007 4.907 1.00 0.00 O ATOM 310 CB GLU A 444 -2.667 0.487 4.109 1.00 0.00 C ATOM 311 CG GLU A 444 -3.435 1.691 3.595 1.00 0.00 C ATOM 312 CD GLU A 444 -4.661 1.305 2.803 1.00 0.00 C ATOM 313 OE1 GLU A 444 -5.579 0.687 3.384 1.00 0.00 O ATOM 314 OE2 GLU A 444 -4.709 1.600 1.592 1.00 0.00 O ATOM 0 H GLU A 444 -2.517 -0.335 1.110 1.00 0.00 H new ATOM 0 HA GLU A 444 -1.185 0.607 2.571 1.00 0.00 H new ATOM 0 HB2 GLU A 444 -3.377 -0.251 4.482 1.00 0.00 H new ATOM 0 HB3 GLU A 444 -2.053 0.795 4.955 1.00 0.00 H new ATOM 0 HG2 GLU A 444 -3.733 2.314 4.438 1.00 0.00 H new ATOM 0 HG3 GLU A 444 -2.779 2.295 2.969 1.00 0.00 H new ATOM 321 N LYS A 445 -0.262 -2.055 2.940 1.00 0.00 N ATOM 322 CA LYS A 445 0.759 -2.969 3.425 1.00 0.00 C ATOM 323 C LYS A 445 2.086 -2.227 3.503 1.00 0.00 C ATOM 324 O LYS A 445 2.921 -2.491 4.368 1.00 0.00 O ATOM 325 CB LYS A 445 0.875 -4.182 2.496 1.00 0.00 C ATOM 326 CG LYS A 445 0.918 -5.524 3.217 1.00 0.00 C ATOM 327 CD LYS A 445 2.145 -5.663 4.108 1.00 0.00 C ATOM 328 CE LYS A 445 3.436 -5.616 3.306 1.00 0.00 C ATOM 329 NZ LYS A 445 3.603 -6.805 2.433 1.00 0.00 N ATOM 0 H LYS A 445 -0.512 -2.183 1.959 1.00 0.00 H new ATOM 0 HA LYS A 445 0.486 -3.331 4.416 1.00 0.00 H new ATOM 0 HB2 LYS A 445 0.030 -4.180 1.808 1.00 0.00 H new ATOM 0 HB3 LYS A 445 1.777 -4.078 1.893 1.00 0.00 H new ATOM 0 HG2 LYS A 445 0.018 -5.638 3.821 1.00 0.00 H new ATOM 0 HG3 LYS A 445 0.912 -6.329 2.482 1.00 0.00 H new ATOM 0 HD2 LYS A 445 2.148 -4.863 4.849 1.00 0.00 H new ATOM 0 HD3 LYS A 445 2.092 -6.604 4.655 1.00 0.00 H new ATOM 0 HE2 LYS A 445 3.448 -4.714 2.694 1.00 0.00 H new ATOM 0 HE3 LYS A 445 4.283 -5.548 3.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 445 4.581 -7.151 2.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 445 2.949 -7.554 2.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 445 3.396 -6.544 1.448 1.00 0.00 H new ATOM 343 N CYS A 446 2.265 -1.294 2.576 1.00 0.00 N ATOM 344 CA CYS A 446 3.486 -0.506 2.498 1.00 0.00 C ATOM 345 C CYS A 446 3.196 0.888 1.956 1.00 0.00 C ATOM 346 O CYS A 446 4.097 1.605 1.525 1.00 0.00 O ATOM 347 CB CYS A 446 4.486 -1.206 1.589 1.00 0.00 C ATOM 348 SG CYS A 446 5.233 -2.708 2.305 1.00 0.00 S ATOM 0 H CYS A 446 1.573 -1.064 1.863 1.00 0.00 H new ATOM 0 HA CYS A 446 3.901 -0.410 3.501 1.00 0.00 H new ATOM 0 HB2 CYS A 446 3.987 -1.472 0.657 1.00 0.00 H new ATOM 0 HB3 CYS A 446 5.281 -0.505 1.336 1.00 0.00 H new ATOM 353 N LYS A 447 1.936 1.277 2.022 1.00 0.00 N ATOM 354 CA LYS A 447 1.520 2.596 1.567 1.00 0.00 C ATOM 355 C LYS A 447 2.017 3.673 2.524 1.00 0.00 C ATOM 356 O LYS A 447 1.655 3.691 3.702 1.00 0.00 O ATOM 357 CB LYS A 447 -0.006 2.663 1.442 1.00 0.00 C ATOM 358 CG LYS A 447 -0.538 4.027 1.024 1.00 0.00 C ATOM 359 CD LYS A 447 -0.077 4.418 -0.374 1.00 0.00 C ATOM 360 CE LYS A 447 -0.602 5.792 -0.765 1.00 0.00 C ATOM 361 NZ LYS A 447 -0.211 6.170 -2.148 1.00 0.00 N ATOM 0 H LYS A 447 1.179 0.699 2.387 1.00 0.00 H new ATOM 0 HA LYS A 447 1.959 2.774 0.585 1.00 0.00 H new ATOM 0 HB2 LYS A 447 -0.333 1.919 0.715 1.00 0.00 H new ATOM 0 HB3 LYS A 447 -0.450 2.390 2.399 1.00 0.00 H new ATOM 0 HG2 LYS A 447 -1.627 4.016 1.056 1.00 0.00 H new ATOM 0 HG3 LYS A 447 -0.206 4.780 1.739 1.00 0.00 H new ATOM 0 HD2 LYS A 447 1.012 4.418 -0.413 1.00 0.00 H new ATOM 0 HD3 LYS A 447 -0.422 3.676 -1.094 1.00 0.00 H new ATOM 0 HE2 LYS A 447 -1.689 5.801 -0.681 1.00 0.00 H new ATOM 0 HE3 LYS A 447 -0.222 6.537 -0.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 -0.590 7.112 -2.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 0.826 6.188 -2.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 -0.595 5.475 -2.820 1.00 0.00 H new ATOM 375 N GLY A 448 2.849 4.566 2.007 1.00 0.00 N ATOM 376 CA GLY A 448 3.401 5.633 2.816 1.00 0.00 C ATOM 377 C GLY A 448 4.566 5.171 3.669 1.00 0.00 C ATOM 378 O GLY A 448 4.871 5.780 4.694 1.00 0.00 O ATOM 0 H GLY A 448 3.153 4.570 1.033 1.00 0.00 H new ATOM 0 HA2 GLY A 448 3.730 6.444 2.167 1.00 0.00 H new ATOM 0 HA3 GLY A 448 2.620 6.037 3.461 1.00 0.00 H new ATOM 382 N LYS A 449 5.229 4.100 3.248 1.00 0.00 N ATOM 383 CA LYS A 449 6.377 3.597 3.936 1.00 0.00 C ATOM 384 C LYS A 449 7.634 4.252 3.371 1.00 0.00 C ATOM 385 O LYS A 449 7.722 4.476 2.161 1.00 0.00 O ATOM 386 CB LYS A 449 6.401 2.092 3.738 1.00 0.00 C ATOM 387 CG LYS A 449 7.463 1.381 4.522 1.00 0.00 C ATOM 388 CD LYS A 449 7.255 -0.119 4.467 1.00 0.00 C ATOM 389 CE LYS A 449 6.023 -0.550 5.251 1.00 0.00 C ATOM 390 NZ LYS A 449 6.108 -0.164 6.687 1.00 0.00 N ATOM 0 H LYS A 449 4.973 3.566 2.417 1.00 0.00 H new ATOM 0 HA LYS A 449 6.337 3.825 5.001 1.00 0.00 H new ATOM 0 HB2 LYS A 449 5.428 1.686 4.015 1.00 0.00 H new ATOM 0 HB3 LYS A 449 6.545 1.879 2.679 1.00 0.00 H new ATOM 0 HG2 LYS A 449 8.446 1.632 4.123 1.00 0.00 H new ATOM 0 HG3 LYS A 449 7.444 1.718 5.558 1.00 0.00 H new ATOM 0 HD2 LYS A 449 7.153 -0.434 3.428 1.00 0.00 H new ATOM 0 HD3 LYS A 449 8.135 -0.623 4.868 1.00 0.00 H new ATOM 0 HE2 LYS A 449 5.136 -0.099 4.807 1.00 0.00 H new ATOM 0 HE3 LYS A 449 5.904 -1.631 5.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 449 5.554 -0.832 7.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 449 7.101 -0.186 6.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 449 5.729 0.796 6.811 1.00 0.00 H new ATOM 404 N GLY A 450 8.564 4.625 4.242 1.00 0.00 N ATOM 405 CA GLY A 450 9.793 5.259 3.793 1.00 0.00 C ATOM 406 C GLY A 450 10.703 4.279 3.085 1.00 0.00 C ATOM 407 O GLY A 450 10.492 3.072 3.172 1.00 0.00 O ATOM 0 H GLY A 450 8.491 4.501 5.252 1.00 0.00 H new ATOM 0 HA2 GLY A 450 9.553 6.083 3.121 1.00 0.00 H new ATOM 0 HA3 GLY A 450 10.315 5.687 4.649 1.00 0.00 H new ATOM 411 N GLU A 451 11.695 4.790 2.362 1.00 0.00 N ATOM 412 CA GLU A 451 12.604 3.941 1.595 1.00 0.00 C ATOM 413 C GLU A 451 13.339 2.945 2.489 1.00 0.00 C ATOM 414 O GLU A 451 13.571 1.804 2.091 1.00 0.00 O ATOM 415 CB GLU A 451 13.604 4.803 0.812 1.00 0.00 C ATOM 416 CG GLU A 451 14.602 4.003 -0.016 1.00 0.00 C ATOM 417 CD GLU A 451 15.978 3.937 0.617 1.00 0.00 C ATOM 418 OE1 GLU A 451 16.660 4.983 0.683 1.00 0.00 O ATOM 419 OE2 GLU A 451 16.392 2.838 1.050 1.00 0.00 O ATOM 0 H GLU A 451 11.891 5.788 2.290 1.00 0.00 H new ATOM 0 HA GLU A 451 12.004 3.365 0.890 1.00 0.00 H new ATOM 0 HB2 GLU A 451 13.052 5.470 0.150 1.00 0.00 H new ATOM 0 HB3 GLU A 451 14.152 5.432 1.514 1.00 0.00 H new ATOM 0 HG2 GLU A 451 14.222 2.991 -0.154 1.00 0.00 H new ATOM 0 HG3 GLU A 451 14.685 4.450 -1.007 1.00 0.00 H new ATOM 426 N LYS A 452 13.718 3.374 3.686 1.00 0.00 N ATOM 427 CA LYS A 452 14.454 2.503 4.598 1.00 0.00 C ATOM 428 C LYS A 452 13.524 1.461 5.213 1.00 0.00 C ATOM 429 O LYS A 452 13.897 0.295 5.371 1.00 0.00 O ATOM 430 CB LYS A 452 15.146 3.309 5.706 1.00 0.00 C ATOM 431 CG LYS A 452 15.906 4.542 5.216 1.00 0.00 C ATOM 432 CD LYS A 452 16.733 4.263 3.970 1.00 0.00 C ATOM 433 CE LYS A 452 17.822 3.233 4.211 1.00 0.00 C ATOM 434 NZ LYS A 452 18.515 2.870 2.946 1.00 0.00 N ATOM 0 H LYS A 452 13.531 4.310 4.047 1.00 0.00 H new ATOM 0 HA LYS A 452 15.223 1.994 4.017 1.00 0.00 H new ATOM 0 HB2 LYS A 452 14.395 3.625 6.430 1.00 0.00 H new ATOM 0 HB3 LYS A 452 15.841 2.655 6.233 1.00 0.00 H new ATOM 0 HG2 LYS A 452 15.196 5.342 5.005 1.00 0.00 H new ATOM 0 HG3 LYS A 452 16.562 4.899 6.010 1.00 0.00 H new ATOM 0 HD2 LYS A 452 16.076 3.913 3.174 1.00 0.00 H new ATOM 0 HD3 LYS A 452 17.187 5.192 3.624 1.00 0.00 H new ATOM 0 HE2 LYS A 452 18.546 3.627 4.924 1.00 0.00 H new ATOM 0 HE3 LYS A 452 17.387 2.339 4.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 452 18.968 1.940 3.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 452 17.823 2.831 2.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 452 19.239 3.585 2.729 1.00 0.00 H new ATOM 448 N ASP A 453 12.310 1.886 5.550 1.00 0.00 N ATOM 449 CA ASP A 453 11.312 0.990 6.128 1.00 0.00 C ATOM 450 C ASP A 453 10.829 0.002 5.069 1.00 0.00 C ATOM 451 O ASP A 453 10.720 -1.202 5.323 1.00 0.00 O ATOM 452 CB ASP A 453 10.132 1.792 6.691 1.00 0.00 C ATOM 453 CG ASP A 453 9.264 0.985 7.642 1.00 0.00 C ATOM 454 OD1 ASP A 453 8.748 -0.082 7.247 1.00 0.00 O ATOM 455 OD2 ASP A 453 9.073 1.423 8.793 1.00 0.00 O ATOM 0 H ASP A 453 11.992 2.848 5.433 1.00 0.00 H new ATOM 0 HA ASP A 453 11.768 0.435 6.948 1.00 0.00 H new ATOM 0 HB2 ASP A 453 10.513 2.670 7.212 1.00 0.00 H new ATOM 0 HB3 ASP A 453 9.518 2.153 5.865 1.00 0.00 H new ATOM 460 N CYS A 454 10.638 0.511 3.855 1.00 0.00 N ATOM 461 CA CYS A 454 10.273 -0.318 2.715 1.00 0.00 C ATOM 462 C CYS A 454 11.379 -1.342 2.449 1.00 0.00 C ATOM 463 O CYS A 454 12.544 -0.976 2.282 1.00 0.00 O ATOM 464 CB CYS A 454 10.080 0.552 1.470 1.00 0.00 C ATOM 465 SG CYS A 454 9.521 -0.360 -0.011 1.00 0.00 S ATOM 0 H CYS A 454 10.732 1.503 3.637 1.00 0.00 H new ATOM 0 HA CYS A 454 9.340 -0.834 2.940 1.00 0.00 H new ATOM 0 HB2 CYS A 454 9.354 1.332 1.696 1.00 0.00 H new ATOM 0 HB3 CYS A 454 11.022 1.050 1.241 1.00 0.00 H new ATOM 470 N LYS A 455 11.030 -2.614 2.397 1.00 0.00 N ATOM 471 CA LYS A 455 12.022 -3.642 2.122 1.00 0.00 C ATOM 472 C LYS A 455 11.595 -4.483 0.927 1.00 0.00 C ATOM 473 O LYS A 455 10.423 -4.821 0.783 1.00 0.00 O ATOM 474 CB LYS A 455 12.269 -4.507 3.364 1.00 0.00 C ATOM 475 CG LYS A 455 11.014 -5.129 3.945 1.00 0.00 C ATOM 476 CD LYS A 455 11.269 -5.733 5.316 1.00 0.00 C ATOM 477 CE LYS A 455 11.562 -4.656 6.351 1.00 0.00 C ATOM 478 NZ LYS A 455 10.431 -3.698 6.497 1.00 0.00 N ATOM 0 H LYS A 455 10.081 -2.959 2.539 1.00 0.00 H new ATOM 0 HA LYS A 455 12.966 -3.159 1.870 1.00 0.00 H new ATOM 0 HB2 LYS A 455 12.970 -5.301 3.107 1.00 0.00 H new ATOM 0 HB3 LYS A 455 12.747 -3.896 4.130 1.00 0.00 H new ATOM 0 HG2 LYS A 455 10.234 -4.372 4.020 1.00 0.00 H new ATOM 0 HG3 LYS A 455 10.645 -5.901 3.270 1.00 0.00 H new ATOM 0 HD2 LYS A 455 10.400 -6.312 5.627 1.00 0.00 H new ATOM 0 HD3 LYS A 455 12.110 -6.425 5.260 1.00 0.00 H new ATOM 0 HE2 LYS A 455 11.766 -5.125 7.314 1.00 0.00 H new ATOM 0 HE3 LYS A 455 12.462 -4.113 6.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 455 10.227 -3.553 7.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 455 10.687 -2.789 6.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 455 9.587 -4.082 6.026 1.00 0.00 H new ATOM 492 N SER A 456 12.534 -4.683 0.008 1.00 0.00 N ATOM 493 CA SER A 456 12.259 -5.313 -1.285 1.00 0.00 C ATOM 494 C SER A 456 11.545 -6.668 -1.176 1.00 0.00 C ATOM 495 O SER A 456 10.572 -6.894 -1.897 1.00 0.00 O ATOM 496 CB SER A 456 13.561 -5.453 -2.080 1.00 0.00 C ATOM 497 OG SER A 456 14.223 -4.200 -2.187 1.00 0.00 O ATOM 0 H SER A 456 13.509 -4.414 0.136 1.00 0.00 H new ATOM 0 HA SER A 456 11.567 -4.656 -1.811 1.00 0.00 H new ATOM 0 HB2 SER A 456 14.215 -6.175 -1.591 1.00 0.00 H new ATOM 0 HB3 SER A 456 13.345 -5.842 -3.075 1.00 0.00 H new ATOM 0 HG SER A 456 15.053 -4.311 -2.696 1.00 0.00 H new ATOM 503 N PRO A 457 12.000 -7.604 -0.314 1.00 0.00 N ATOM 504 CA PRO A 457 11.346 -8.913 -0.179 1.00 0.00 C ATOM 505 C PRO A 457 9.886 -8.780 0.248 1.00 0.00 C ATOM 506 O PRO A 457 9.067 -9.668 0.007 1.00 0.00 O ATOM 507 CB PRO A 457 12.157 -9.622 0.912 1.00 0.00 C ATOM 508 CG PRO A 457 12.897 -8.538 1.617 1.00 0.00 C ATOM 509 CD PRO A 457 13.168 -7.492 0.580 1.00 0.00 C ATOM 0 HA PRO A 457 11.327 -9.455 -1.125 1.00 0.00 H new ATOM 0 HB2 PRO A 457 11.505 -10.164 1.597 1.00 0.00 H new ATOM 0 HB3 PRO A 457 12.843 -10.351 0.481 1.00 0.00 H new ATOM 0 HG2 PRO A 457 12.307 -8.131 2.438 1.00 0.00 H new ATOM 0 HG3 PRO A 457 13.826 -8.913 2.047 1.00 0.00 H new ATOM 0 HD2 PRO A 457 13.246 -6.498 1.020 1.00 0.00 H new ATOM 0 HD3 PRO A 457 14.102 -7.681 0.050 1.00 0.00 H new ATOM 517 N ASP A 458 9.580 -7.684 0.924 1.00 0.00 N ATOM 518 CA ASP A 458 8.237 -7.440 1.426 1.00 0.00 C ATOM 519 C ASP A 458 7.407 -6.626 0.434 1.00 0.00 C ATOM 520 O ASP A 458 6.263 -6.978 0.139 1.00 0.00 O ATOM 521 CB ASP A 458 8.310 -6.728 2.774 1.00 0.00 C ATOM 522 CG ASP A 458 6.949 -6.385 3.337 1.00 0.00 C ATOM 523 OD1 ASP A 458 6.106 -7.295 3.467 1.00 0.00 O ATOM 524 OD2 ASP A 458 6.730 -5.207 3.689 1.00 0.00 O ATOM 0 H ASP A 458 10.249 -6.944 1.139 1.00 0.00 H new ATOM 0 HA ASP A 458 7.741 -8.402 1.555 1.00 0.00 H new ATOM 0 HB2 ASP A 458 8.842 -7.361 3.484 1.00 0.00 H new ATOM 0 HB3 ASP A 458 8.892 -5.813 2.664 1.00 0.00 H new ATOM 529 N CYS A 459 7.990 -5.553 -0.095 1.00 0.00 N ATOM 530 CA CYS A 459 7.284 -4.681 -1.026 1.00 0.00 C ATOM 531 C CYS A 459 8.247 -4.090 -2.053 1.00 0.00 C ATOM 532 O CYS A 459 9.451 -3.999 -1.815 1.00 0.00 O ATOM 533 CB CYS A 459 6.582 -3.545 -0.280 1.00 0.00 C ATOM 534 SG CYS A 459 5.199 -4.059 0.788 1.00 0.00 S ATOM 0 H CYS A 459 8.949 -5.268 0.106 1.00 0.00 H new ATOM 0 HA CYS A 459 6.538 -5.286 -1.542 1.00 0.00 H new ATOM 0 HB2 CYS A 459 7.318 -3.023 0.332 1.00 0.00 H new ATOM 0 HB3 CYS A 459 6.209 -2.828 -1.011 1.00 0.00 H new ATOM 539 N LYS A 460 7.709 -3.701 -3.196 1.00 0.00 N ATOM 540 CA LYS A 460 8.506 -3.124 -4.269 1.00 0.00 C ATOM 541 C LYS A 460 8.588 -1.602 -4.122 1.00 0.00 C ATOM 542 O LYS A 460 7.571 -0.910 -4.192 1.00 0.00 O ATOM 543 CB LYS A 460 7.886 -3.471 -5.624 1.00 0.00 C ATOM 544 CG LYS A 460 7.316 -4.881 -5.695 1.00 0.00 C ATOM 545 CD LYS A 460 8.405 -5.939 -5.645 1.00 0.00 C ATOM 546 CE LYS A 460 7.818 -7.331 -5.465 1.00 0.00 C ATOM 547 NZ LYS A 460 6.782 -7.643 -6.486 1.00 0.00 N ATOM 0 H LYS A 460 6.714 -3.775 -3.408 1.00 0.00 H new ATOM 0 HA LYS A 460 9.512 -3.539 -4.210 1.00 0.00 H new ATOM 0 HB2 LYS A 460 7.093 -2.757 -5.844 1.00 0.00 H new ATOM 0 HB3 LYS A 460 8.643 -3.355 -6.400 1.00 0.00 H new ATOM 0 HG2 LYS A 460 6.624 -5.034 -4.867 1.00 0.00 H new ATOM 0 HG3 LYS A 460 6.743 -4.994 -6.615 1.00 0.00 H new ATOM 0 HD2 LYS A 460 8.990 -5.905 -6.564 1.00 0.00 H new ATOM 0 HD3 LYS A 460 9.088 -5.722 -4.824 1.00 0.00 H new ATOM 0 HE2 LYS A 460 8.617 -8.070 -5.524 1.00 0.00 H new ATOM 0 HE3 LYS A 460 7.381 -7.413 -4.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 460 6.509 -8.644 -6.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 460 5.947 -7.043 -6.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 460 7.165 -7.461 -7.436 1.00 0.00 H new ATOM 561 N TRP A 461 9.796 -1.078 -3.985 1.00 0.00 N ATOM 562 CA TRP A 461 9.988 0.362 -3.925 1.00 0.00 C ATOM 563 C TRP A 461 9.993 0.930 -5.338 1.00 0.00 C ATOM 564 O TRP A 461 10.813 0.538 -6.170 1.00 0.00 O ATOM 565 CB TRP A 461 11.303 0.709 -3.221 1.00 0.00 C ATOM 566 CG TRP A 461 11.471 2.176 -2.953 1.00 0.00 C ATOM 567 CD1 TRP A 461 12.344 3.025 -3.563 1.00 0.00 C ATOM 568 CD2 TRP A 461 10.764 2.960 -1.985 1.00 0.00 C ATOM 569 NE1 TRP A 461 12.224 4.286 -3.037 1.00 0.00 N ATOM 570 CE2 TRP A 461 11.261 4.272 -2.065 1.00 0.00 C ATOM 571 CE3 TRP A 461 9.761 2.682 -1.063 1.00 0.00 C ATOM 572 CZ2 TRP A 461 10.784 5.297 -1.252 1.00 0.00 C ATOM 573 CZ3 TRP A 461 9.291 3.696 -0.262 1.00 0.00 C ATOM 574 CH2 TRP A 461 9.804 4.990 -0.360 1.00 0.00 C ATOM 0 H TRP A 461 10.654 -1.625 -3.914 1.00 0.00 H new ATOM 0 HA TRP A 461 9.170 0.800 -3.354 1.00 0.00 H new ATOM 0 HB2 TRP A 461 11.354 0.167 -2.277 1.00 0.00 H new ATOM 0 HB3 TRP A 461 12.136 0.362 -3.833 1.00 0.00 H new ATOM 0 HD1 TRP A 461 13.032 2.746 -4.348 1.00 0.00 H new ATOM 0 HE1 TRP A 461 12.765 5.102 -3.324 1.00 0.00 H new ATOM 0 HE3 TRP A 461 9.357 1.684 -0.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 461 11.178 6.300 -1.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 461 8.511 3.487 0.455 1.00 0.00 H new ATOM 0 HH2 TRP A 461 9.415 5.764 0.286 1.00 0.00 H new ATOM 585 N GLU A 462 9.031 1.789 -5.629 1.00 0.00 N ATOM 586 CA GLU A 462 8.895 2.349 -6.963 1.00 0.00 C ATOM 587 C GLU A 462 9.816 3.556 -7.133 1.00 0.00 C ATOM 588 O GLU A 462 10.425 3.747 -8.188 1.00 0.00 O ATOM 589 CB GLU A 462 7.434 2.724 -7.216 1.00 0.00 C ATOM 590 CG GLU A 462 7.121 3.061 -8.664 1.00 0.00 C ATOM 591 CD GLU A 462 5.633 3.085 -8.938 1.00 0.00 C ATOM 592 OE1 GLU A 462 4.917 3.881 -8.298 1.00 0.00 O ATOM 593 OE2 GLU A 462 5.168 2.288 -9.778 1.00 0.00 O ATOM 0 H GLU A 462 8.333 2.114 -4.960 1.00 0.00 H new ATOM 0 HA GLU A 462 9.192 1.603 -7.700 1.00 0.00 H new ATOM 0 HB2 GLU A 462 6.798 1.896 -6.901 1.00 0.00 H new ATOM 0 HB3 GLU A 462 7.176 3.579 -6.591 1.00 0.00 H new ATOM 0 HG2 GLU A 462 7.549 4.033 -8.910 1.00 0.00 H new ATOM 0 HG3 GLU A 462 7.597 2.329 -9.316 1.00 0.00 H new ATOM 600 N GLY A 463 9.942 4.343 -6.073 1.00 0.00 N ATOM 601 CA GLY A 463 10.807 5.508 -6.094 1.00 0.00 C ATOM 602 C GLY A 463 10.542 6.412 -4.910 1.00 0.00 C ATOM 603 O GLY A 463 11.460 6.819 -4.196 1.00 0.00 O ATOM 0 H GLY A 463 9.455 4.193 -5.189 1.00 0.00 H new ATOM 0 HA2 GLY A 463 11.849 5.190 -6.085 1.00 0.00 H new ATOM 0 HA3 GLY A 463 10.651 6.062 -7.019 1.00 0.00 H new ATOM 607 N GLY A 464 9.271 6.654 -4.663 1.00 0.00 N ATOM 608 CA GLY A 464 8.860 7.430 -3.516 1.00 0.00 C ATOM 609 C GLY A 464 7.751 6.734 -2.758 1.00 0.00 C ATOM 610 O GLY A 464 7.393 7.134 -1.648 1.00 0.00 O ATOM 0 H GLY A 464 8.503 6.322 -5.246 1.00 0.00 H new ATOM 0 HA2 GLY A 464 9.713 7.588 -2.856 1.00 0.00 H new ATOM 0 HA3 GLY A 464 8.521 8.414 -3.841 1.00 0.00 H new ATOM 614 N THR A 465 7.209 5.685 -3.361 1.00 0.00 N ATOM 615 CA THR A 465 6.130 4.934 -2.756 1.00 0.00 C ATOM 616 C THR A 465 6.435 3.438 -2.778 1.00 0.00 C ATOM 617 O THR A 465 6.941 2.907 -3.772 1.00 0.00 O ATOM 618 CB THR A 465 4.804 5.201 -3.475 1.00 0.00 C ATOM 619 OG1 THR A 465 4.618 6.610 -3.672 1.00 0.00 O ATOM 620 CG2 THR A 465 3.637 4.644 -2.679 1.00 0.00 C ATOM 0 H THR A 465 7.504 5.337 -4.273 1.00 0.00 H new ATOM 0 HA THR A 465 6.038 5.263 -1.721 1.00 0.00 H new ATOM 0 HB THR A 465 4.841 4.702 -4.444 1.00 0.00 H new ATOM 0 HG1 THR A 465 3.768 6.766 -4.134 1.00 0.00 H new ATOM 0 HG21 THR A 465 2.706 4.845 -3.209 1.00 0.00 H new ATOM 0 HG22 THR A 465 3.760 3.568 -2.558 1.00 0.00 H new ATOM 0 HG23 THR A 465 3.606 5.118 -1.698 1.00 0.00 H new ATOM 628 N CYS A 466 6.170 2.782 -1.660 1.00 0.00 N ATOM 629 CA CYS A 466 6.415 1.359 -1.511 1.00 0.00 C ATOM 630 C CYS A 466 5.149 0.583 -1.880 1.00 0.00 C ATOM 631 O CYS A 466 4.078 0.831 -1.322 1.00 0.00 O ATOM 632 CB CYS A 466 6.837 1.081 -0.063 1.00 0.00 C ATOM 633 SG CYS A 466 7.520 -0.578 0.248 1.00 0.00 S ATOM 0 H CYS A 466 5.778 3.224 -0.829 1.00 0.00 H new ATOM 0 HA CYS A 466 7.215 1.035 -2.177 1.00 0.00 H new ATOM 0 HB2 CYS A 466 7.581 1.822 0.229 1.00 0.00 H new ATOM 0 HB3 CYS A 466 5.972 1.226 0.584 1.00 0.00 H new ATOM 638 N LYS A 467 5.252 -0.276 -2.889 1.00 0.00 N ATOM 639 CA LYS A 467 4.090 -1.004 -3.398 1.00 0.00 C ATOM 640 C LYS A 467 4.106 -2.456 -2.932 1.00 0.00 C ATOM 641 O LYS A 467 5.117 -3.139 -3.054 1.00 0.00 O ATOM 642 CB LYS A 467 4.059 -0.952 -4.932 1.00 0.00 C ATOM 643 CG LYS A 467 4.104 0.458 -5.502 1.00 0.00 C ATOM 644 CD LYS A 467 2.949 1.309 -4.994 1.00 0.00 C ATOM 645 CE LYS A 467 3.014 2.728 -5.539 1.00 0.00 C ATOM 646 NZ LYS A 467 2.804 2.780 -7.010 1.00 0.00 N ATOM 0 H LYS A 467 6.126 -0.486 -3.371 1.00 0.00 H new ATOM 0 HA LYS A 467 3.194 -0.524 -3.004 1.00 0.00 H new ATOM 0 HB2 LYS A 467 4.905 -1.518 -5.322 1.00 0.00 H new ATOM 0 HB3 LYS A 467 3.154 -1.447 -5.284 1.00 0.00 H new ATOM 0 HG2 LYS A 467 5.049 0.929 -5.232 1.00 0.00 H new ATOM 0 HG3 LYS A 467 4.070 0.412 -6.590 1.00 0.00 H new ATOM 0 HD2 LYS A 467 2.004 0.850 -5.284 1.00 0.00 H new ATOM 0 HD3 LYS A 467 2.969 1.336 -3.905 1.00 0.00 H new ATOM 0 HE2 LYS A 467 2.259 3.339 -5.045 1.00 0.00 H new ATOM 0 HE3 LYS A 467 3.984 3.163 -5.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 467 3.649 3.179 -7.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 467 2.636 1.819 -7.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 467 1.980 3.379 -7.222 1.00 0.00 H new ATOM 660 N ASP A 468 2.968 -2.932 -2.444 1.00 0.00 N ATOM 661 CA ASP A 468 2.846 -4.319 -1.996 1.00 0.00 C ATOM 662 C ASP A 468 2.694 -5.262 -3.184 1.00 0.00 C ATOM 663 O ASP A 468 1.785 -5.038 -4.013 1.00 0.00 O ATOM 664 CB ASP A 468 1.652 -4.473 -1.051 1.00 0.00 C ATOM 665 CG ASP A 468 1.487 -5.897 -0.551 1.00 0.00 C ATOM 666 OD1 ASP A 468 2.413 -6.414 0.106 1.00 0.00 O ATOM 667 OD2 ASP A 468 0.422 -6.499 -0.796 1.00 0.00 O ATOM 668 OXT ASP A 468 3.485 -6.222 -3.290 1.00 0.00 O ATOM 0 H ASP A 468 2.115 -2.381 -2.347 1.00 0.00 H new ATOM 0 HA ASP A 468 3.758 -4.581 -1.460 1.00 0.00 H new ATOM 0 HB2 ASP A 468 1.778 -3.805 -0.199 1.00 0.00 H new ATOM 0 HB3 ASP A 468 0.742 -4.165 -1.566 1.00 0.00 H new TER 673 ASP A 468