USER MOD reduce.3.24.130724 H: found=0, std=0, add=324, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 323 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 NoAdj-H: A 475 HIS HE2 : A 475 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 479 HIS HE2 : A 479 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 458 LYS NZ :NH3+ -149:sc= 0.442 (180deg=0.133) USER MOD Set 1.2: A 460 HIS : no HD1:sc= 0.0119 K(o=0.45,f=-0.26) USER MOD Single : A 446 SER OG : rot -95:sc= 0.199 USER MOD Single : A 447 SER OG : rot 180:sc= 0 USER MOD Single : A 449 SER OG : rot 180:sc= 0 USER MOD Single : A 450 SER OG : rot 180:sc= 0 USER MOD Single : A 452 THR OG1 : rot -64:sc= 0.667 USER MOD Single : A 455 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 457 TYR OH : rot 180:sc= 0 USER MOD Single : A 464 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0412) USER MOD Single : A 469 ASN : amide:sc= 0.309 K(o=0.31,f=-1.9!) USER MOD Single : A 470 SER OG : rot 180:sc= 0 USER MOD Single : A 471 HIS : no HD1:sc= 0.00624 K(o=0.0062,f=-1.5) USER MOD Single : A 476 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 480 THR OG1 : rot 45:sc= 0.105 USER MOD Single : A 483 LYS NZ :NH3+ -154:sc= -0.0534 (180deg=-0.343) USER MOD Single : A 485 SER OG : rot 180:sc= -0.0115 USER MOD Single : A 488 SER OG : rot 180:sc= 0.0518 USER MOD Single : A 489 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 445 -25.179 -11.405 -26.211 1.00 0.00 N ATOM 2 CA GLY A 445 -25.078 -11.563 -24.772 1.00 0.00 C ATOM 3 C GLY A 445 -23.676 -11.928 -24.326 1.00 0.00 C ATOM 4 O GLY A 445 -22.731 -11.866 -25.113 1.00 0.00 O ATOM 0 HA2 GLY A 445 -25.381 -10.636 -24.286 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -25.773 -12.336 -24.445 1.00 0.00 H new ATOM 8 N SER A 446 -23.540 -12.309 -23.060 1.00 0.00 N ATOM 9 CA SER A 446 -22.242 -12.681 -22.509 1.00 0.00 C ATOM 10 C SER A 446 -22.380 -13.841 -21.528 1.00 0.00 C ATOM 11 O SER A 446 -23.173 -13.782 -20.588 1.00 0.00 O ATOM 12 CB SER A 446 -21.598 -11.481 -21.811 1.00 0.00 C ATOM 13 OG SER A 446 -20.515 -11.888 -20.992 1.00 0.00 O ATOM 0 H SER A 446 -24.313 -12.368 -22.397 1.00 0.00 H new ATOM 0 HA SER A 446 -21.603 -12.999 -23.333 1.00 0.00 H new ATOM 0 HB2 SER A 446 -21.246 -10.768 -22.557 1.00 0.00 H new ATOM 0 HB3 SER A 446 -22.343 -10.966 -21.205 1.00 0.00 H new ATOM 0 HG SER A 446 -20.827 -12.002 -20.070 1.00 0.00 H new ATOM 19 N SER A 447 -21.603 -14.895 -21.754 1.00 0.00 N ATOM 20 CA SER A 447 -21.640 -16.071 -20.893 1.00 0.00 C ATOM 21 C SER A 447 -20.736 -15.884 -19.678 1.00 0.00 C ATOM 22 O SER A 447 -19.765 -16.617 -19.494 1.00 0.00 O ATOM 23 CB SER A 447 -21.213 -17.315 -21.674 1.00 0.00 C ATOM 24 OG SER A 447 -21.730 -18.493 -21.079 1.00 0.00 O ATOM 0 H SER A 447 -20.940 -14.959 -22.526 1.00 0.00 H new ATOM 0 HA SER A 447 -22.664 -16.203 -20.545 1.00 0.00 H new ATOM 0 HB2 SER A 447 -21.563 -17.240 -22.703 1.00 0.00 H new ATOM 0 HB3 SER A 447 -20.125 -17.370 -21.711 1.00 0.00 H new ATOM 0 HG SER A 447 -21.444 -19.274 -21.598 1.00 0.00 H new ATOM 30 N GLY A 448 -21.064 -14.896 -18.850 1.00 0.00 N ATOM 31 CA GLY A 448 -20.273 -14.629 -17.663 1.00 0.00 C ATOM 32 C GLY A 448 -19.176 -13.614 -17.914 1.00 0.00 C ATOM 33 O GLY A 448 -19.367 -12.655 -18.662 1.00 0.00 O ATOM 0 H GLY A 448 -21.863 -14.276 -18.980 1.00 0.00 H new ATOM 0 HA2 GLY A 448 -20.926 -14.265 -16.869 1.00 0.00 H new ATOM 0 HA3 GLY A 448 -19.829 -15.559 -17.309 1.00 0.00 H new ATOM 37 N SER A 449 -18.023 -13.823 -17.287 1.00 0.00 N ATOM 38 CA SER A 449 -16.892 -12.915 -17.441 1.00 0.00 C ATOM 39 C SER A 449 -17.299 -11.481 -17.118 1.00 0.00 C ATOM 40 O SER A 449 -16.997 -10.554 -17.869 1.00 0.00 O ATOM 41 CB SER A 449 -16.341 -12.992 -18.866 1.00 0.00 C ATOM 42 OG SER A 449 -14.988 -12.573 -18.913 1.00 0.00 O ATOM 0 H SER A 449 -17.847 -14.614 -16.667 1.00 0.00 H new ATOM 0 HA SER A 449 -16.114 -13.220 -16.741 1.00 0.00 H new ATOM 0 HB2 SER A 449 -16.421 -14.014 -19.236 1.00 0.00 H new ATOM 0 HB3 SER A 449 -16.942 -12.366 -19.526 1.00 0.00 H new ATOM 0 HG SER A 449 -14.659 -12.633 -19.834 1.00 0.00 H new ATOM 48 N SER A 450 -17.988 -11.307 -15.994 1.00 0.00 N ATOM 49 CA SER A 450 -18.440 -9.987 -15.572 1.00 0.00 C ATOM 50 C SER A 450 -17.712 -9.542 -14.307 1.00 0.00 C ATOM 51 O SER A 450 -16.952 -8.574 -14.324 1.00 0.00 O ATOM 52 CB SER A 450 -19.951 -9.997 -15.327 1.00 0.00 C ATOM 53 OG SER A 450 -20.665 -9.855 -16.542 1.00 0.00 O ATOM 0 H SER A 450 -18.245 -12.064 -15.360 1.00 0.00 H new ATOM 0 HA SER A 450 -18.212 -9.280 -16.369 1.00 0.00 H new ATOM 0 HB2 SER A 450 -20.237 -10.929 -14.840 1.00 0.00 H new ATOM 0 HB3 SER A 450 -20.218 -9.187 -14.648 1.00 0.00 H new ATOM 0 HG SER A 450 -21.628 -9.866 -16.359 1.00 0.00 H new ATOM 59 N GLY A 451 -17.950 -10.256 -13.211 1.00 0.00 N ATOM 60 CA GLY A 451 -17.310 -9.920 -11.953 1.00 0.00 C ATOM 61 C GLY A 451 -17.788 -10.791 -10.808 1.00 0.00 C ATOM 62 O GLY A 451 -18.928 -11.257 -10.806 1.00 0.00 O ATOM 0 H GLY A 451 -18.575 -11.061 -13.172 1.00 0.00 H new ATOM 0 HA2 GLY A 451 -16.230 -10.025 -12.059 1.00 0.00 H new ATOM 0 HA3 GLY A 451 -17.507 -8.874 -11.717 1.00 0.00 H new ATOM 66 N THR A 452 -16.915 -11.014 -9.831 1.00 0.00 N ATOM 67 CA THR A 452 -17.253 -11.837 -8.677 1.00 0.00 C ATOM 68 C THR A 452 -17.272 -11.009 -7.398 1.00 0.00 C ATOM 69 O THR A 452 -16.386 -11.132 -6.553 1.00 0.00 O ATOM 70 CB THR A 452 -16.258 -13.001 -8.507 1.00 0.00 C ATOM 71 OG1 THR A 452 -16.473 -13.649 -7.248 1.00 0.00 O ATOM 72 CG2 THR A 452 -14.823 -12.502 -8.587 1.00 0.00 C ATOM 0 H THR A 452 -15.968 -10.636 -9.816 1.00 0.00 H new ATOM 0 HA THR A 452 -18.248 -12.243 -8.858 1.00 0.00 H new ATOM 0 HB THR A 452 -16.424 -13.713 -9.315 1.00 0.00 H new ATOM 0 HG1 THR A 452 -16.283 -13.021 -6.520 1.00 0.00 H new ATOM 0 HG21 THR A 452 -14.139 -13.341 -8.464 1.00 0.00 H new ATOM 0 HG22 THR A 452 -14.654 -12.035 -9.557 1.00 0.00 H new ATOM 0 HG23 THR A 452 -14.647 -11.772 -7.797 1.00 0.00 H new ATOM 80 N GLY A 453 -18.290 -10.164 -7.260 1.00 0.00 N ATOM 81 CA GLY A 453 -18.406 -9.328 -6.080 1.00 0.00 C ATOM 82 C GLY A 453 -17.845 -7.937 -6.297 1.00 0.00 C ATOM 83 O GLY A 453 -17.415 -7.600 -7.400 1.00 0.00 O ATOM 0 H GLY A 453 -19.036 -10.044 -7.945 1.00 0.00 H new ATOM 0 HA2 GLY A 453 -19.455 -9.253 -5.794 1.00 0.00 H new ATOM 0 HA3 GLY A 453 -17.882 -9.802 -5.250 1.00 0.00 H new ATOM 87 N GLU A 454 -17.850 -7.127 -5.243 1.00 0.00 N ATOM 88 CA GLU A 454 -17.340 -5.764 -5.326 1.00 0.00 C ATOM 89 C GLU A 454 -15.824 -5.760 -5.500 1.00 0.00 C ATOM 90 O GLU A 454 -15.262 -4.869 -6.137 1.00 0.00 O ATOM 91 CB GLU A 454 -17.722 -4.976 -4.071 1.00 0.00 C ATOM 92 CG GLU A 454 -17.251 -3.531 -4.093 1.00 0.00 C ATOM 93 CD GLU A 454 -18.096 -2.629 -3.215 1.00 0.00 C ATOM 94 OE1 GLU A 454 -18.168 -2.885 -1.995 1.00 0.00 O ATOM 95 OE2 GLU A 454 -18.685 -1.666 -3.749 1.00 0.00 O ATOM 0 H GLU A 454 -18.201 -7.391 -4.323 1.00 0.00 H new ATOM 0 HA GLU A 454 -17.790 -5.287 -6.197 1.00 0.00 H new ATOM 0 HB2 GLU A 454 -18.806 -4.994 -3.956 1.00 0.00 H new ATOM 0 HB3 GLU A 454 -17.301 -5.473 -3.197 1.00 0.00 H new ATOM 0 HG2 GLU A 454 -16.213 -3.486 -3.762 1.00 0.00 H new ATOM 0 HG3 GLU A 454 -17.275 -3.160 -5.118 1.00 0.00 H new ATOM 102 N LYS A 455 -15.166 -6.763 -4.928 1.00 0.00 N ATOM 103 CA LYS A 455 -13.715 -6.878 -5.020 1.00 0.00 C ATOM 104 C LYS A 455 -13.038 -5.592 -4.559 1.00 0.00 C ATOM 105 O LYS A 455 -12.443 -4.858 -5.349 1.00 0.00 O ATOM 106 CB LYS A 455 -13.298 -7.201 -6.456 1.00 0.00 C ATOM 107 CG LYS A 455 -11.850 -7.640 -6.585 1.00 0.00 C ATOM 108 CD LYS A 455 -11.549 -8.170 -7.977 1.00 0.00 C ATOM 109 CE LYS A 455 -11.558 -7.055 -9.012 1.00 0.00 C ATOM 110 NZ LYS A 455 -11.651 -7.587 -10.400 1.00 0.00 N ATOM 0 H LYS A 455 -15.615 -7.508 -4.396 1.00 0.00 H new ATOM 0 HA LYS A 455 -13.397 -7.690 -4.366 1.00 0.00 H new ATOM 0 HB2 LYS A 455 -13.944 -7.989 -6.844 1.00 0.00 H new ATOM 0 HB3 LYS A 455 -13.459 -6.321 -7.079 1.00 0.00 H new ATOM 0 HG2 LYS A 455 -11.193 -6.798 -6.365 1.00 0.00 H new ATOM 0 HG3 LYS A 455 -11.636 -8.413 -5.847 1.00 0.00 H new ATOM 0 HD2 LYS A 455 -10.576 -8.661 -7.978 1.00 0.00 H new ATOM 0 HD3 LYS A 455 -12.287 -8.925 -8.248 1.00 0.00 H new ATOM 0 HE2 LYS A 455 -12.400 -6.389 -8.821 1.00 0.00 H new ATOM 0 HE3 LYS A 455 -10.651 -6.459 -8.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 455 -11.654 -6.796 -11.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 455 -10.835 -8.202 -10.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 455 -12.529 -8.135 -10.504 1.00 0.00 H new ATOM 124 N PRO A 456 -13.126 -5.311 -3.250 1.00 0.00 N ATOM 125 CA PRO A 456 -12.525 -4.114 -2.655 1.00 0.00 C ATOM 126 C PRO A 456 -11.001 -4.177 -2.639 1.00 0.00 C ATOM 127 O PRO A 456 -10.416 -5.146 -2.157 1.00 0.00 O ATOM 128 CB PRO A 456 -13.075 -4.114 -1.227 1.00 0.00 C ATOM 129 CG PRO A 456 -13.388 -5.542 -0.941 1.00 0.00 C ATOM 130 CD PRO A 456 -13.818 -6.142 -2.251 1.00 0.00 C ATOM 0 HA PRO A 456 -12.766 -3.213 -3.219 1.00 0.00 H new ATOM 0 HB2 PRO A 456 -12.344 -3.720 -0.521 1.00 0.00 H new ATOM 0 HB3 PRO A 456 -13.965 -3.490 -1.146 1.00 0.00 H new ATOM 0 HG2 PRO A 456 -12.516 -6.060 -0.542 1.00 0.00 H new ATOM 0 HG3 PRO A 456 -14.178 -5.626 -0.195 1.00 0.00 H new ATOM 0 HD2 PRO A 456 -13.527 -7.189 -2.328 1.00 0.00 H new ATOM 0 HD3 PRO A 456 -14.900 -6.102 -2.375 1.00 0.00 H new ATOM 138 N TYR A 457 -10.366 -3.138 -3.168 1.00 0.00 N ATOM 139 CA TYR A 457 -8.910 -3.076 -3.216 1.00 0.00 C ATOM 140 C TYR A 457 -8.334 -2.727 -1.847 1.00 0.00 C ATOM 141 O TYR A 457 -8.854 -1.861 -1.144 1.00 0.00 O ATOM 142 CB TYR A 457 -8.456 -2.045 -4.251 1.00 0.00 C ATOM 143 CG TYR A 457 -8.824 -2.410 -5.671 1.00 0.00 C ATOM 144 CD1 TYR A 457 -10.115 -2.217 -6.147 1.00 0.00 C ATOM 145 CD2 TYR A 457 -7.880 -2.947 -6.538 1.00 0.00 C ATOM 146 CE1 TYR A 457 -10.456 -2.549 -7.444 1.00 0.00 C ATOM 147 CE2 TYR A 457 -8.212 -3.281 -7.837 1.00 0.00 C ATOM 148 CZ TYR A 457 -9.501 -3.081 -8.285 1.00 0.00 C ATOM 149 OH TYR A 457 -9.837 -3.412 -9.578 1.00 0.00 O ATOM 0 H TYR A 457 -10.836 -2.327 -3.570 1.00 0.00 H new ATOM 0 HA TYR A 457 -8.539 -4.059 -3.506 1.00 0.00 H new ATOM 0 HB2 TYR A 457 -8.898 -1.079 -4.007 1.00 0.00 H new ATOM 0 HB3 TYR A 457 -7.374 -1.927 -4.184 1.00 0.00 H new ATOM 0 HD1 TYR A 457 -10.865 -1.800 -5.491 1.00 0.00 H new ATOM 0 HD2 TYR A 457 -6.870 -3.106 -6.191 1.00 0.00 H new ATOM 0 HE1 TYR A 457 -11.465 -2.393 -7.797 1.00 0.00 H new ATOM 0 HE2 TYR A 457 -7.466 -3.697 -8.498 1.00 0.00 H new ATOM 0 HH TYR A 457 -9.051 -3.773 -10.038 1.00 0.00 H new ATOM 159 N LYS A 458 -7.255 -3.407 -1.476 1.00 0.00 N ATOM 160 CA LYS A 458 -6.604 -3.170 -0.193 1.00 0.00 C ATOM 161 C LYS A 458 -5.154 -2.741 -0.389 1.00 0.00 C ATOM 162 O LYS A 458 -4.350 -3.477 -0.962 1.00 0.00 O ATOM 163 CB LYS A 458 -6.661 -4.431 0.672 1.00 0.00 C ATOM 164 CG LYS A 458 -6.040 -4.254 2.047 1.00 0.00 C ATOM 165 CD LYS A 458 -5.434 -5.551 2.556 1.00 0.00 C ATOM 166 CE LYS A 458 -4.233 -5.291 3.453 1.00 0.00 C ATOM 167 NZ LYS A 458 -2.986 -5.087 2.665 1.00 0.00 N ATOM 0 H LYS A 458 -6.812 -4.128 -2.046 1.00 0.00 H new ATOM 0 HA LYS A 458 -7.137 -2.365 0.313 1.00 0.00 H new ATOM 0 HB2 LYS A 458 -7.701 -4.735 0.789 1.00 0.00 H new ATOM 0 HB3 LYS A 458 -6.149 -5.241 0.153 1.00 0.00 H new ATOM 0 HG2 LYS A 458 -5.270 -3.484 2.003 1.00 0.00 H new ATOM 0 HG3 LYS A 458 -6.799 -3.906 2.748 1.00 0.00 H new ATOM 0 HD2 LYS A 458 -6.187 -6.113 3.108 1.00 0.00 H new ATOM 0 HD3 LYS A 458 -5.131 -6.169 1.711 1.00 0.00 H new ATOM 0 HE2 LYS A 458 -4.422 -4.411 4.067 1.00 0.00 H new ATOM 0 HE3 LYS A 458 -4.099 -6.132 4.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 458 -2.170 -5.427 3.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 458 -3.049 -5.617 1.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 458 -2.867 -4.075 2.459 1.00 0.00 H new ATOM 181 N CYS A 459 -4.825 -1.546 0.090 1.00 0.00 N ATOM 182 CA CYS A 459 -3.471 -1.019 -0.032 1.00 0.00 C ATOM 183 C CYS A 459 -2.471 -1.914 0.694 1.00 0.00 C ATOM 184 O CYS A 459 -2.578 -2.133 1.901 1.00 0.00 O ATOM 185 CB CYS A 459 -3.402 0.402 0.532 1.00 0.00 C ATOM 186 SG CYS A 459 -1.921 1.333 0.022 1.00 0.00 S ATOM 0 H CYS A 459 -5.478 -0.924 0.567 1.00 0.00 H new ATOM 0 HA CYS A 459 -3.211 -0.997 -1.090 1.00 0.00 H new ATOM 0 HB2 CYS A 459 -4.289 0.950 0.216 1.00 0.00 H new ATOM 0 HB3 CYS A 459 -3.429 0.351 1.620 1.00 0.00 H new ATOM 191 N HIS A 460 -1.499 -2.431 -0.051 1.00 0.00 N ATOM 192 CA HIS A 460 -0.478 -3.302 0.520 1.00 0.00 C ATOM 193 C HIS A 460 0.662 -2.484 1.118 1.00 0.00 C ATOM 194 O HIS A 460 1.655 -3.039 1.590 1.00 0.00 O ATOM 195 CB HIS A 460 0.065 -4.254 -0.546 1.00 0.00 C ATOM 196 CG HIS A 460 -0.980 -5.144 -1.143 1.00 0.00 C ATOM 197 ND1 HIS A 460 -1.838 -5.912 -0.384 1.00 0.00 N ATOM 198 CD2 HIS A 460 -1.305 -5.386 -2.435 1.00 0.00 C ATOM 199 CE1 HIS A 460 -2.644 -6.588 -1.183 1.00 0.00 C ATOM 200 NE2 HIS A 460 -2.341 -6.287 -2.433 1.00 0.00 N ATOM 0 H HIS A 460 -1.397 -2.262 -1.052 1.00 0.00 H new ATOM 0 HA HIS A 460 -0.938 -3.886 1.317 1.00 0.00 H new ATOM 0 HB2 HIS A 460 0.530 -3.670 -1.340 1.00 0.00 H new ATOM 0 HB3 HIS A 460 0.848 -4.872 -0.105 1.00 0.00 H new ATOM 0 HD2 HIS A 460 -0.836 -4.951 -3.305 1.00 0.00 H new ATOM 0 HE1 HIS A 460 -3.419 -7.271 -0.868 1.00 0.00 H new ATOM 0 HE2 HIS A 460 -2.802 -6.663 -3.262 1.00 0.00 H new ATOM 208 N GLU A 461 0.513 -1.163 1.094 1.00 0.00 N ATOM 209 CA GLU A 461 1.532 -0.270 1.633 1.00 0.00 C ATOM 210 C GLU A 461 1.280 0.015 3.111 1.00 0.00 C ATOM 211 O GLU A 461 2.204 -0.002 3.924 1.00 0.00 O ATOM 212 CB GLU A 461 1.559 1.042 0.846 1.00 0.00 C ATOM 213 CG GLU A 461 1.568 0.848 -0.661 1.00 0.00 C ATOM 214 CD GLU A 461 2.764 0.048 -1.139 1.00 0.00 C ATOM 215 OE1 GLU A 461 3.713 -0.129 -0.347 1.00 0.00 O ATOM 216 OE2 GLU A 461 2.751 -0.399 -2.305 1.00 0.00 O ATOM 0 H GLU A 461 -0.303 -0.688 0.707 1.00 0.00 H new ATOM 0 HA GLU A 461 2.499 -0.763 1.536 1.00 0.00 H new ATOM 0 HB2 GLU A 461 0.690 1.639 1.122 1.00 0.00 H new ATOM 0 HB3 GLU A 461 2.442 1.612 1.136 1.00 0.00 H new ATOM 0 HG2 GLU A 461 0.652 0.341 -0.964 1.00 0.00 H new ATOM 0 HG3 GLU A 461 1.569 1.823 -1.149 1.00 0.00 H new ATOM 223 N CYS A 462 0.022 0.278 3.450 1.00 0.00 N ATOM 224 CA CYS A 462 -0.354 0.568 4.828 1.00 0.00 C ATOM 225 C CYS A 462 -1.420 -0.407 5.318 1.00 0.00 C ATOM 226 O CYS A 462 -1.427 -0.802 6.483 1.00 0.00 O ATOM 227 CB CYS A 462 -0.867 2.005 4.947 1.00 0.00 C ATOM 228 SG CYS A 462 -2.220 2.408 3.796 1.00 0.00 S ATOM 0 H CYS A 462 -0.754 0.296 2.789 1.00 0.00 H new ATOM 0 HA CYS A 462 0.532 0.453 5.452 1.00 0.00 H new ATOM 0 HB2 CYS A 462 -1.210 2.174 5.968 1.00 0.00 H new ATOM 0 HB3 CYS A 462 -0.038 2.691 4.772 1.00 0.00 H new ATOM 233 N GLY A 463 -2.321 -0.791 4.419 1.00 0.00 N ATOM 234 CA GLY A 463 -3.379 -1.717 4.778 1.00 0.00 C ATOM 235 C GLY A 463 -4.745 -1.059 4.793 1.00 0.00 C ATOM 236 O GLY A 463 -5.659 -1.522 5.476 1.00 0.00 O ATOM 0 H GLY A 463 -2.337 -0.477 3.449 1.00 0.00 H new ATOM 0 HA2 GLY A 463 -3.387 -2.547 4.071 1.00 0.00 H new ATOM 0 HA3 GLY A 463 -3.171 -2.138 5.762 1.00 0.00 H new ATOM 240 N LYS A 464 -4.885 0.026 4.039 1.00 0.00 N ATOM 241 CA LYS A 464 -6.148 0.751 3.968 1.00 0.00 C ATOM 242 C LYS A 464 -7.016 0.222 2.830 1.00 0.00 C ATOM 243 O LYS A 464 -6.572 0.140 1.684 1.00 0.00 O ATOM 244 CB LYS A 464 -5.891 2.247 3.774 1.00 0.00 C ATOM 245 CG LYS A 464 -5.706 3.006 5.077 1.00 0.00 C ATOM 246 CD LYS A 464 -6.114 4.463 4.937 1.00 0.00 C ATOM 247 CE LYS A 464 -5.982 5.208 6.256 1.00 0.00 C ATOM 248 NZ LYS A 464 -4.559 5.369 6.662 1.00 0.00 N ATOM 0 H LYS A 464 -4.139 0.423 3.468 1.00 0.00 H new ATOM 0 HA LYS A 464 -6.679 0.599 4.908 1.00 0.00 H new ATOM 0 HB2 LYS A 464 -5.001 2.377 3.158 1.00 0.00 H new ATOM 0 HB3 LYS A 464 -6.726 2.682 3.225 1.00 0.00 H new ATOM 0 HG2 LYS A 464 -6.299 2.535 5.861 1.00 0.00 H new ATOM 0 HG3 LYS A 464 -4.663 2.948 5.388 1.00 0.00 H new ATOM 0 HD2 LYS A 464 -5.493 4.945 4.182 1.00 0.00 H new ATOM 0 HD3 LYS A 464 -7.144 4.521 4.587 1.00 0.00 H new ATOM 0 HE2 LYS A 464 -6.447 6.190 6.167 1.00 0.00 H new ATOM 0 HE3 LYS A 464 -6.523 4.668 7.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 464 -4.504 5.982 7.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 464 -4.155 4.438 6.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 464 -4.022 5.800 5.883 1.00 0.00 H new ATOM 262 N VAL A 465 -8.255 -0.135 3.153 1.00 0.00 N ATOM 263 CA VAL A 465 -9.185 -0.654 2.157 1.00 0.00 C ATOM 264 C VAL A 465 -10.028 0.466 1.558 1.00 0.00 C ATOM 265 O VAL A 465 -10.350 1.445 2.232 1.00 0.00 O ATOM 266 CB VAL A 465 -10.119 -1.718 2.763 1.00 0.00 C ATOM 267 CG1 VAL A 465 -10.992 -2.339 1.683 1.00 0.00 C ATOM 268 CG2 VAL A 465 -9.312 -2.785 3.487 1.00 0.00 C ATOM 0 H VAL A 465 -8.638 -0.074 4.096 1.00 0.00 H new ATOM 0 HA VAL A 465 -8.585 -1.113 1.371 1.00 0.00 H new ATOM 0 HB VAL A 465 -10.771 -1.233 3.490 1.00 0.00 H new ATOM 0 HG11 VAL A 465 -11.645 -3.088 2.130 1.00 0.00 H new ATOM 0 HG12 VAL A 465 -11.597 -1.563 1.214 1.00 0.00 H new ATOM 0 HG13 VAL A 465 -10.360 -2.811 0.931 1.00 0.00 H new ATOM 0 HG21 VAL A 465 -9.988 -3.529 3.909 1.00 0.00 H new ATOM 0 HG22 VAL A 465 -8.634 -3.268 2.783 1.00 0.00 H new ATOM 0 HG23 VAL A 465 -8.735 -2.323 4.288 1.00 0.00 H new ATOM 278 N PHE A 466 -10.384 0.315 0.286 1.00 0.00 N ATOM 279 CA PHE A 466 -11.191 1.314 -0.405 1.00 0.00 C ATOM 280 C PHE A 466 -12.354 0.657 -1.144 1.00 0.00 C ATOM 281 O PHE A 466 -12.425 -0.567 -1.247 1.00 0.00 O ATOM 282 CB PHE A 466 -10.327 2.104 -1.391 1.00 0.00 C ATOM 283 CG PHE A 466 -9.339 3.017 -0.723 1.00 0.00 C ATOM 284 CD1 PHE A 466 -9.717 4.283 -0.307 1.00 0.00 C ATOM 285 CD2 PHE A 466 -8.031 2.609 -0.513 1.00 0.00 C ATOM 286 CE1 PHE A 466 -8.810 5.125 0.308 1.00 0.00 C ATOM 287 CE2 PHE A 466 -7.120 3.447 0.102 1.00 0.00 C ATOM 288 CZ PHE A 466 -7.509 4.707 0.512 1.00 0.00 C ATOM 0 H PHE A 466 -10.126 -0.489 -0.286 1.00 0.00 H new ATOM 0 HA PHE A 466 -11.597 1.997 0.341 1.00 0.00 H new ATOM 0 HB2 PHE A 466 -9.789 1.405 -2.031 1.00 0.00 H new ATOM 0 HB3 PHE A 466 -10.976 2.694 -2.038 1.00 0.00 H new ATOM 0 HD1 PHE A 466 -10.732 4.616 -0.465 1.00 0.00 H new ATOM 0 HD2 PHE A 466 -7.720 1.626 -0.833 1.00 0.00 H new ATOM 0 HE1 PHE A 466 -9.118 6.109 0.629 1.00 0.00 H new ATOM 0 HE2 PHE A 466 -6.104 3.117 0.262 1.00 0.00 H new ATOM 0 HZ PHE A 466 -6.798 5.364 0.991 1.00 0.00 H new ATOM 298 N ARG A 467 -13.263 1.481 -1.654 1.00 0.00 N ATOM 299 CA ARG A 467 -14.424 0.982 -2.381 1.00 0.00 C ATOM 300 C ARG A 467 -14.063 0.665 -3.830 1.00 0.00 C ATOM 301 O ARG A 467 -14.091 -0.493 -4.248 1.00 0.00 O ATOM 302 CB ARG A 467 -15.558 2.007 -2.340 1.00 0.00 C ATOM 303 CG ARG A 467 -16.934 1.403 -2.571 1.00 0.00 C ATOM 304 CD ARG A 467 -18.014 2.473 -2.603 1.00 0.00 C ATOM 305 NE ARG A 467 -19.317 1.947 -2.205 1.00 0.00 N ATOM 306 CZ ARG A 467 -20.363 2.715 -1.921 1.00 0.00 C ATOM 307 NH1 ARG A 467 -20.260 4.035 -1.989 1.00 0.00 N ATOM 308 NH2 ARG A 467 -21.516 2.162 -1.567 1.00 0.00 N ATOM 0 H ARG A 467 -13.218 2.497 -1.577 1.00 0.00 H new ATOM 0 HA ARG A 467 -14.756 0.063 -1.897 1.00 0.00 H new ATOM 0 HB2 ARG A 467 -15.548 2.508 -1.372 1.00 0.00 H new ATOM 0 HB3 ARG A 467 -15.374 2.770 -3.096 1.00 0.00 H new ATOM 0 HG2 ARG A 467 -16.938 0.853 -3.512 1.00 0.00 H new ATOM 0 HG3 ARG A 467 -17.155 0.685 -1.781 1.00 0.00 H new ATOM 0 HD2 ARG A 467 -17.734 3.290 -1.938 1.00 0.00 H new ATOM 0 HD3 ARG A 467 -18.083 2.889 -3.608 1.00 0.00 H new ATOM 0 HE ARG A 467 -19.430 0.935 -2.142 1.00 0.00 H new ATOM 0 HH11 ARG A 467 -19.375 4.464 -2.260 1.00 0.00 H new ATOM 0 HH12 ARG A 467 -21.065 4.621 -1.770 1.00 0.00 H new ATOM 0 HH21 ARG A 467 -21.599 1.147 -1.513 1.00 0.00 H new ATOM 0 HH22 ARG A 467 -22.319 2.752 -1.349 1.00 0.00 H new ATOM 322 N ARG A 468 -13.725 1.701 -4.590 1.00 0.00 N ATOM 323 CA ARG A 468 -13.361 1.533 -5.992 1.00 0.00 C ATOM 324 C ARG A 468 -11.858 1.712 -6.188 1.00 0.00 C ATOM 325 O ARG A 468 -11.190 2.361 -5.384 1.00 0.00 O ATOM 326 CB ARG A 468 -14.122 2.534 -6.862 1.00 0.00 C ATOM 327 CG ARG A 468 -15.612 2.590 -6.565 1.00 0.00 C ATOM 328 CD ARG A 468 -16.332 3.547 -7.503 1.00 0.00 C ATOM 329 NE ARG A 468 -16.062 3.244 -8.906 1.00 0.00 N ATOM 330 CZ ARG A 468 -16.596 2.213 -9.551 1.00 0.00 C ATOM 331 NH1 ARG A 468 -17.424 1.390 -8.922 1.00 0.00 N ATOM 332 NH2 ARG A 468 -16.303 2.004 -10.828 1.00 0.00 N ATOM 0 H ARG A 468 -13.696 2.665 -4.259 1.00 0.00 H new ATOM 0 HA ARG A 468 -13.632 0.521 -6.293 1.00 0.00 H new ATOM 0 HB2 ARG A 468 -13.694 3.526 -6.719 1.00 0.00 H new ATOM 0 HB3 ARG A 468 -13.979 2.274 -7.911 1.00 0.00 H new ATOM 0 HG2 ARG A 468 -16.041 1.593 -6.662 1.00 0.00 H new ATOM 0 HG3 ARG A 468 -15.767 2.905 -5.533 1.00 0.00 H new ATOM 0 HD2 ARG A 468 -17.405 3.494 -7.321 1.00 0.00 H new ATOM 0 HD3 ARG A 468 -16.022 4.569 -7.287 1.00 0.00 H new ATOM 0 HE ARG A 468 -15.429 3.858 -9.419 1.00 0.00 H new ATOM 0 HH11 ARG A 468 -17.652 1.548 -7.940 1.00 0.00 H new ATOM 0 HH12 ARG A 468 -17.833 0.599 -9.420 1.00 0.00 H new ATOM 0 HH21 ARG A 468 -15.667 2.635 -11.315 1.00 0.00 H new ATOM 0 HH22 ARG A 468 -16.714 1.212 -11.322 1.00 0.00 H new ATOM 346 N ASN A 469 -11.334 1.131 -7.262 1.00 0.00 N ATOM 347 CA ASN A 469 -9.910 1.225 -7.564 1.00 0.00 C ATOM 348 C ASN A 469 -9.446 2.679 -7.550 1.00 0.00 C ATOM 349 O ASN A 469 -8.376 2.995 -7.029 1.00 0.00 O ATOM 350 CB ASN A 469 -9.613 0.596 -8.927 1.00 0.00 C ATOM 351 CG ASN A 469 -10.678 0.919 -9.957 1.00 0.00 C ATOM 352 OD1 ASN A 469 -11.756 0.325 -9.958 1.00 0.00 O ATOM 353 ND2 ASN A 469 -10.380 1.865 -10.839 1.00 0.00 N ATOM 0 H ASN A 469 -11.874 0.590 -7.938 1.00 0.00 H new ATOM 0 HA ASN A 469 -9.364 0.680 -6.794 1.00 0.00 H new ATOM 0 HB2 ASN A 469 -8.646 0.950 -9.285 1.00 0.00 H new ATOM 0 HB3 ASN A 469 -9.535 -0.486 -8.816 1.00 0.00 H new ATOM 0 HD21 ASN A 469 -11.058 2.126 -11.555 1.00 0.00 H new ATOM 0 HD22 ASN A 469 -9.474 2.331 -10.800 1.00 0.00 H new ATOM 360 N SER A 470 -10.259 3.559 -8.126 1.00 0.00 N ATOM 361 CA SER A 470 -9.931 4.979 -8.182 1.00 0.00 C ATOM 362 C SER A 470 -9.590 5.514 -6.795 1.00 0.00 C ATOM 363 O SER A 470 -8.594 6.216 -6.615 1.00 0.00 O ATOM 364 CB SER A 470 -11.099 5.770 -8.774 1.00 0.00 C ATOM 365 OG SER A 470 -10.770 7.142 -8.908 1.00 0.00 O ATOM 0 H SER A 470 -11.149 3.314 -8.560 1.00 0.00 H new ATOM 0 HA SER A 470 -9.057 5.100 -8.823 1.00 0.00 H new ATOM 0 HB2 SER A 470 -11.364 5.359 -9.748 1.00 0.00 H new ATOM 0 HB3 SER A 470 -11.975 5.664 -8.135 1.00 0.00 H new ATOM 0 HG SER A 470 -11.532 7.625 -9.290 1.00 0.00 H new ATOM 371 N HIS A 471 -10.423 5.176 -5.816 1.00 0.00 N ATOM 372 CA HIS A 471 -10.211 5.621 -4.443 1.00 0.00 C ATOM 373 C HIS A 471 -8.820 5.227 -3.954 1.00 0.00 C ATOM 374 O HIS A 471 -8.220 5.922 -3.133 1.00 0.00 O ATOM 375 CB HIS A 471 -11.276 5.027 -3.522 1.00 0.00 C ATOM 376 CG HIS A 471 -12.621 5.669 -3.670 1.00 0.00 C ATOM 377 ND1 HIS A 471 -13.610 5.164 -4.488 1.00 0.00 N ATOM 378 CD2 HIS A 471 -13.140 6.780 -3.097 1.00 0.00 C ATOM 379 CE1 HIS A 471 -14.678 5.937 -4.414 1.00 0.00 C ATOM 380 NE2 HIS A 471 -14.419 6.925 -3.576 1.00 0.00 N ATOM 0 H HIS A 471 -11.251 4.595 -5.948 1.00 0.00 H new ATOM 0 HA HIS A 471 -10.290 6.708 -4.422 1.00 0.00 H new ATOM 0 HB2 HIS A 471 -11.367 3.960 -3.726 1.00 0.00 H new ATOM 0 HB3 HIS A 471 -10.947 5.127 -2.488 1.00 0.00 H new ATOM 0 HD2 HIS A 471 -12.641 7.431 -2.394 1.00 0.00 H new ATOM 0 HE1 HIS A 471 -15.605 5.787 -4.947 1.00 0.00 H new ATOM 0 HE2 HIS A 471 -15.064 7.674 -3.325 1.00 0.00 H new ATOM 388 N LEU A 472 -8.315 4.108 -4.461 1.00 0.00 N ATOM 389 CA LEU A 472 -6.995 3.621 -4.075 1.00 0.00 C ATOM 390 C LEU A 472 -5.901 4.317 -4.877 1.00 0.00 C ATOM 391 O LEU A 472 -4.794 4.529 -4.383 1.00 0.00 O ATOM 392 CB LEU A 472 -6.909 2.107 -4.279 1.00 0.00 C ATOM 393 CG LEU A 472 -5.567 1.460 -3.938 1.00 0.00 C ATOM 394 CD1 LEU A 472 -5.471 1.185 -2.445 1.00 0.00 C ATOM 395 CD2 LEU A 472 -5.377 0.175 -4.732 1.00 0.00 C ATOM 0 H LEU A 472 -8.799 3.521 -5.140 1.00 0.00 H new ATOM 0 HA LEU A 472 -6.845 3.849 -3.020 1.00 0.00 H new ATOM 0 HB2 LEU A 472 -7.682 1.634 -3.673 1.00 0.00 H new ATOM 0 HB3 LEU A 472 -7.142 1.887 -5.321 1.00 0.00 H new ATOM 0 HG LEU A 472 -4.771 2.153 -4.211 1.00 0.00 H new ATOM 0 HD11 LEU A 472 -4.509 0.724 -2.221 1.00 0.00 H new ATOM 0 HD12 LEU A 472 -5.561 2.122 -1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 472 -6.274 0.511 -2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 472 -4.416 -0.272 -4.476 1.00 0.00 H new ATOM 0 HD22 LEU A 472 -6.178 -0.524 -4.491 1.00 0.00 H new ATOM 0 HD23 LEU A 472 -5.401 0.399 -5.798 1.00 0.00 H new ATOM 407 N ALA A 473 -6.220 4.674 -6.117 1.00 0.00 N ATOM 408 CA ALA A 473 -5.266 5.350 -6.987 1.00 0.00 C ATOM 409 C ALA A 473 -4.798 6.664 -6.371 1.00 0.00 C ATOM 410 O ALA A 473 -3.598 6.918 -6.264 1.00 0.00 O ATOM 411 CB ALA A 473 -5.882 5.597 -8.356 1.00 0.00 C ATOM 0 H ALA A 473 -7.132 4.506 -6.541 1.00 0.00 H new ATOM 0 HA ALA A 473 -4.397 4.703 -7.104 1.00 0.00 H new ATOM 0 HB1 ALA A 473 -5.158 6.103 -8.995 1.00 0.00 H new ATOM 0 HB2 ALA A 473 -6.161 4.645 -8.807 1.00 0.00 H new ATOM 0 HB3 ALA A 473 -6.769 6.221 -8.249 1.00 0.00 H new ATOM 417 N ARG A 474 -5.752 7.497 -5.968 1.00 0.00 N ATOM 418 CA ARG A 474 -5.437 8.786 -5.365 1.00 0.00 C ATOM 419 C ARG A 474 -4.724 8.601 -4.028 1.00 0.00 C ATOM 420 O ARG A 474 -3.932 9.447 -3.613 1.00 0.00 O ATOM 421 CB ARG A 474 -6.713 9.605 -5.165 1.00 0.00 C ATOM 422 CG ARG A 474 -7.293 10.154 -6.459 1.00 0.00 C ATOM 423 CD ARG A 474 -6.709 11.517 -6.797 1.00 0.00 C ATOM 424 NE ARG A 474 -6.987 11.904 -8.178 1.00 0.00 N ATOM 425 CZ ARG A 474 -6.328 11.417 -9.223 1.00 0.00 C ATOM 426 NH1 ARG A 474 -5.358 10.530 -9.046 1.00 0.00 N ATOM 427 NH2 ARG A 474 -6.638 11.818 -10.450 1.00 0.00 N ATOM 0 H ARG A 474 -6.750 7.302 -6.048 1.00 0.00 H new ATOM 0 HA ARG A 474 -4.771 9.322 -6.041 1.00 0.00 H new ATOM 0 HB2 ARG A 474 -7.462 8.982 -4.677 1.00 0.00 H new ATOM 0 HB3 ARG A 474 -6.500 10.435 -4.491 1.00 0.00 H new ATOM 0 HG2 ARG A 474 -7.091 9.458 -7.273 1.00 0.00 H new ATOM 0 HG3 ARG A 474 -8.376 10.233 -6.369 1.00 0.00 H new ATOM 0 HD2 ARG A 474 -7.121 12.266 -6.121 1.00 0.00 H new ATOM 0 HD3 ARG A 474 -5.631 11.500 -6.635 1.00 0.00 H new ATOM 0 HE ARG A 474 -7.727 12.585 -8.349 1.00 0.00 H new ATOM 0 HH11 ARG A 474 -5.116 10.220 -8.105 1.00 0.00 H new ATOM 0 HH12 ARG A 474 -4.854 10.158 -9.851 1.00 0.00 H new ATOM 0 HH21 ARG A 474 -7.383 12.501 -10.591 1.00 0.00 H new ATOM 0 HH22 ARG A 474 -6.131 11.444 -11.252 1.00 0.00 H new ATOM 441 N HIS A 475 -5.012 7.489 -3.359 1.00 0.00 N ATOM 442 CA HIS A 475 -4.399 7.193 -2.069 1.00 0.00 C ATOM 443 C HIS A 475 -2.915 6.878 -2.232 1.00 0.00 C ATOM 444 O HIS A 475 -2.091 7.283 -1.412 1.00 0.00 O ATOM 445 CB HIS A 475 -5.111 6.016 -1.400 1.00 0.00 C ATOM 446 CG HIS A 475 -4.429 5.532 -0.158 1.00 0.00 C ATOM 447 ND1 HIS A 475 -4.391 6.260 1.013 1.00 0.00 N ATOM 448 CD2 HIS A 475 -3.758 4.383 0.093 1.00 0.00 C ATOM 449 CE1 HIS A 475 -3.724 5.581 1.929 1.00 0.00 C ATOM 450 NE2 HIS A 475 -3.330 4.438 1.397 1.00 0.00 N ATOM 0 H HIS A 475 -5.666 6.779 -3.689 1.00 0.00 H new ATOM 0 HA HIS A 475 -4.498 8.075 -1.437 1.00 0.00 H new ATOM 0 HB2 HIS A 475 -6.131 6.311 -1.153 1.00 0.00 H new ATOM 0 HB3 HIS A 475 -5.181 5.193 -2.111 1.00 0.00 H new ATOM 0 HD1 HIS A 475 -4.812 7.179 1.150 1.00 0.00 H new ATOM 0 HD2 HIS A 475 -3.591 3.574 -0.603 1.00 0.00 H new ATOM 0 HE1 HIS A 475 -3.533 5.905 2.941 1.00 0.00 H new ATOM 458 N GLN A 476 -2.582 6.153 -3.296 1.00 0.00 N ATOM 459 CA GLN A 476 -1.198 5.783 -3.565 1.00 0.00 C ATOM 460 C GLN A 476 -0.311 7.021 -3.656 1.00 0.00 C ATOM 461 O GLN A 476 0.897 6.950 -3.429 1.00 0.00 O ATOM 462 CB GLN A 476 -1.106 4.978 -4.862 1.00 0.00 C ATOM 463 CG GLN A 476 -1.448 3.507 -4.692 1.00 0.00 C ATOM 464 CD GLN A 476 -0.797 2.631 -5.743 1.00 0.00 C ATOM 465 OE1 GLN A 476 -0.932 2.876 -6.943 1.00 0.00 O ATOM 466 NE2 GLN A 476 -0.086 1.601 -5.299 1.00 0.00 N ATOM 0 H GLN A 476 -3.252 5.811 -3.985 1.00 0.00 H new ATOM 0 HA GLN A 476 -0.846 5.167 -2.738 1.00 0.00 H new ATOM 0 HB2 GLN A 476 -1.779 5.416 -5.600 1.00 0.00 H new ATOM 0 HB3 GLN A 476 -0.096 5.063 -5.262 1.00 0.00 H new ATOM 0 HG2 GLN A 476 -1.132 3.177 -3.703 1.00 0.00 H new ATOM 0 HG3 GLN A 476 -2.530 3.382 -4.739 1.00 0.00 H new ATOM 0 HE21 GLN A 476 -0.000 1.435 -4.296 1.00 0.00 H new ATOM 0 HE22 GLN A 476 0.374 0.976 -5.961 1.00 0.00 H new ATOM 475 N LEU A 477 -0.919 8.154 -3.990 1.00 0.00 N ATOM 476 CA LEU A 477 -0.185 9.409 -4.112 1.00 0.00 C ATOM 477 C LEU A 477 0.565 9.728 -2.822 1.00 0.00 C ATOM 478 O LEU A 477 1.579 10.427 -2.839 1.00 0.00 O ATOM 479 CB LEU A 477 -1.142 10.551 -4.455 1.00 0.00 C ATOM 480 CG LEU A 477 -2.035 10.334 -5.678 1.00 0.00 C ATOM 481 CD1 LEU A 477 -3.031 11.475 -5.821 1.00 0.00 C ATOM 482 CD2 LEU A 477 -1.191 10.200 -6.937 1.00 0.00 C ATOM 0 H LEU A 477 -1.918 8.230 -4.181 1.00 0.00 H new ATOM 0 HA LEU A 477 0.543 9.300 -4.916 1.00 0.00 H new ATOM 0 HB2 LEU A 477 -1.781 10.735 -3.591 1.00 0.00 H new ATOM 0 HB3 LEU A 477 -0.555 11.455 -4.615 1.00 0.00 H new ATOM 0 HG LEU A 477 -2.592 9.408 -5.537 1.00 0.00 H new ATOM 0 HD11 LEU A 477 -3.658 11.303 -6.696 1.00 0.00 H new ATOM 0 HD12 LEU A 477 -3.657 11.525 -4.930 1.00 0.00 H new ATOM 0 HD13 LEU A 477 -2.493 12.415 -5.939 1.00 0.00 H new ATOM 0 HD21 LEU A 477 -1.843 10.046 -7.797 1.00 0.00 H new ATOM 0 HD22 LEU A 477 -0.607 11.109 -7.082 1.00 0.00 H new ATOM 0 HD23 LEU A 477 -0.518 9.349 -6.835 1.00 0.00 H new ATOM 494 N ILE A 478 0.060 9.211 -1.707 1.00 0.00 N ATOM 495 CA ILE A 478 0.684 9.439 -0.410 1.00 0.00 C ATOM 496 C ILE A 478 1.927 8.573 -0.238 1.00 0.00 C ATOM 497 O ILE A 478 2.839 8.919 0.514 1.00 0.00 O ATOM 498 CB ILE A 478 -0.294 9.148 0.744 1.00 0.00 C ATOM 499 CG1 ILE A 478 0.189 9.818 2.032 1.00 0.00 C ATOM 500 CG2 ILE A 478 -0.444 7.648 0.945 1.00 0.00 C ATOM 501 CD1 ILE A 478 -0.829 9.781 3.151 1.00 0.00 C ATOM 0 H ILE A 478 -0.779 8.632 -1.676 1.00 0.00 H new ATOM 0 HA ILE A 478 0.969 10.490 -0.378 1.00 0.00 H new ATOM 0 HB ILE A 478 -1.270 9.560 0.487 1.00 0.00 H new ATOM 0 HG12 ILE A 478 1.103 9.327 2.367 1.00 0.00 H new ATOM 0 HG13 ILE A 478 0.445 10.856 1.818 1.00 0.00 H new ATOM 0 HG21 ILE A 478 -1.138 7.458 1.764 1.00 0.00 H new ATOM 0 HG22 ILE A 478 -0.828 7.195 0.031 1.00 0.00 H new ATOM 0 HG23 ILE A 478 0.527 7.214 1.184 1.00 0.00 H new ATOM 0 HD11 ILE A 478 -0.419 10.274 4.032 1.00 0.00 H new ATOM 0 HD12 ILE A 478 -1.736 10.297 2.835 1.00 0.00 H new ATOM 0 HD13 ILE A 478 -1.067 8.745 3.392 1.00 0.00 H new ATOM 513 N HIS A 479 1.958 7.446 -0.941 1.00 0.00 N ATOM 514 CA HIS A 479 3.092 6.530 -0.869 1.00 0.00 C ATOM 515 C HIS A 479 4.114 6.845 -1.956 1.00 0.00 C ATOM 516 O HIS A 479 5.319 6.682 -1.757 1.00 0.00 O ATOM 517 CB HIS A 479 2.615 5.084 -1.003 1.00 0.00 C ATOM 518 CG HIS A 479 1.646 4.671 0.062 1.00 0.00 C ATOM 519 ND1 HIS A 479 2.009 4.488 1.380 1.00 0.00 N ATOM 520 CD2 HIS A 479 0.320 4.407 -0.002 1.00 0.00 C ATOM 521 CE1 HIS A 479 0.948 4.127 2.080 1.00 0.00 C ATOM 522 NE2 HIS A 479 -0.090 4.071 1.265 1.00 0.00 N ATOM 0 H HIS A 479 1.211 7.144 -1.567 1.00 0.00 H new ATOM 0 HA HIS A 479 3.571 6.658 0.102 1.00 0.00 H new ATOM 0 HB2 HIS A 479 2.147 4.954 -1.979 1.00 0.00 H new ATOM 0 HB3 HIS A 479 3.479 4.421 -0.973 1.00 0.00 H new ATOM 0 HD1 HIS A 479 2.949 4.612 1.756 1.00 0.00 H new ATOM 0 HD2 HIS A 479 -0.300 4.452 -0.885 1.00 0.00 H new ATOM 0 HE1 HIS A 479 0.932 3.914 3.139 1.00 0.00 H new ATOM 530 N THR A 480 3.627 7.295 -3.108 1.00 0.00 N ATOM 531 CA THR A 480 4.497 7.630 -4.228 1.00 0.00 C ATOM 532 C THR A 480 5.134 9.002 -4.038 1.00 0.00 C ATOM 533 O THR A 480 4.574 10.019 -4.444 1.00 0.00 O ATOM 534 CB THR A 480 3.728 7.614 -5.562 1.00 0.00 C ATOM 535 OG1 THR A 480 2.626 8.526 -5.503 1.00 0.00 O ATOM 536 CG2 THR A 480 3.220 6.216 -5.877 1.00 0.00 C ATOM 0 H THR A 480 2.633 7.436 -3.290 1.00 0.00 H new ATOM 0 HA THR A 480 5.278 6.871 -4.259 1.00 0.00 H new ATOM 0 HB THR A 480 4.411 7.922 -6.354 1.00 0.00 H new ATOM 0 HG1 THR A 480 2.923 9.372 -5.108 1.00 0.00 H new ATOM 0 HG21 THR A 480 2.680 6.230 -6.824 1.00 0.00 H new ATOM 0 HG22 THR A 480 4.064 5.530 -5.951 1.00 0.00 H new ATOM 0 HG23 THR A 480 2.551 5.884 -5.083 1.00 0.00 H new ATOM 544 N GLY A 481 6.310 9.023 -3.417 1.00 0.00 N ATOM 545 CA GLY A 481 7.004 10.276 -3.185 1.00 0.00 C ATOM 546 C GLY A 481 7.898 10.668 -4.344 1.00 0.00 C ATOM 547 O GLY A 481 7.485 10.610 -5.502 1.00 0.00 O ATOM 0 H GLY A 481 6.794 8.195 -3.071 1.00 0.00 H new ATOM 0 HA2 GLY A 481 6.273 11.066 -3.011 1.00 0.00 H new ATOM 0 HA3 GLY A 481 7.605 10.193 -2.279 1.00 0.00 H new ATOM 551 N GLU A 482 9.127 11.069 -4.033 1.00 0.00 N ATOM 552 CA GLU A 482 10.080 11.474 -5.059 1.00 0.00 C ATOM 553 C GLU A 482 10.712 10.255 -5.726 1.00 0.00 C ATOM 554 O GLU A 482 10.830 9.191 -5.118 1.00 0.00 O ATOM 555 CB GLU A 482 11.171 12.359 -4.452 1.00 0.00 C ATOM 556 CG GLU A 482 11.999 13.100 -5.488 1.00 0.00 C ATOM 557 CD GLU A 482 11.160 14.008 -6.366 1.00 0.00 C ATOM 558 OE1 GLU A 482 10.394 14.825 -5.814 1.00 0.00 O ATOM 559 OE2 GLU A 482 11.269 13.900 -7.605 1.00 0.00 O ATOM 0 H GLU A 482 9.485 11.122 -3.079 1.00 0.00 H new ATOM 0 HA GLU A 482 9.540 12.042 -5.816 1.00 0.00 H new ATOM 0 HB2 GLU A 482 10.708 13.084 -3.782 1.00 0.00 H new ATOM 0 HB3 GLU A 482 11.832 11.741 -3.845 1.00 0.00 H new ATOM 0 HG2 GLU A 482 12.761 13.693 -4.982 1.00 0.00 H new ATOM 0 HG3 GLU A 482 12.522 12.377 -6.114 1.00 0.00 H new ATOM 566 N LYS A 483 11.115 10.418 -6.982 1.00 0.00 N ATOM 567 CA LYS A 483 11.735 9.333 -7.734 1.00 0.00 C ATOM 568 C LYS A 483 12.639 9.881 -8.833 1.00 0.00 C ATOM 569 O LYS A 483 12.526 11.036 -9.246 1.00 0.00 O ATOM 570 CB LYS A 483 10.662 8.430 -8.344 1.00 0.00 C ATOM 571 CG LYS A 483 10.420 7.154 -7.555 1.00 0.00 C ATOM 572 CD LYS A 483 8.936 6.896 -7.355 1.00 0.00 C ATOM 573 CE LYS A 483 8.519 7.130 -5.911 1.00 0.00 C ATOM 574 NZ LYS A 483 9.163 6.160 -4.983 1.00 0.00 N ATOM 0 H LYS A 483 11.023 11.291 -7.501 1.00 0.00 H new ATOM 0 HA LYS A 483 12.344 8.748 -7.045 1.00 0.00 H new ATOM 0 HB2 LYS A 483 9.727 8.987 -8.414 1.00 0.00 H new ATOM 0 HB3 LYS A 483 10.954 8.168 -9.361 1.00 0.00 H new ATOM 0 HG2 LYS A 483 10.870 6.310 -8.079 1.00 0.00 H new ATOM 0 HG3 LYS A 483 10.912 7.226 -6.585 1.00 0.00 H new ATOM 0 HD2 LYS A 483 8.360 7.549 -8.011 1.00 0.00 H new ATOM 0 HD3 LYS A 483 8.702 5.870 -7.641 1.00 0.00 H new ATOM 0 HE2 LYS A 483 8.785 8.145 -5.616 1.00 0.00 H new ATOM 0 HE3 LYS A 483 7.435 7.047 -5.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 483 8.569 6.041 -4.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 483 9.273 5.243 -5.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 483 10.098 6.518 -4.701 1.00 0.00 H new ATOM 588 N PRO A 484 13.558 9.035 -9.322 1.00 0.00 N ATOM 589 CA PRO A 484 14.498 9.412 -10.382 1.00 0.00 C ATOM 590 C PRO A 484 13.808 9.596 -11.729 1.00 0.00 C ATOM 591 O PRO A 484 13.485 8.622 -12.410 1.00 0.00 O ATOM 592 CB PRO A 484 15.467 8.228 -10.434 1.00 0.00 C ATOM 593 CG PRO A 484 14.685 7.075 -9.908 1.00 0.00 C ATOM 594 CD PRO A 484 13.750 7.644 -8.877 1.00 0.00 C ATOM 0 HA PRO A 484 14.982 10.367 -10.178 1.00 0.00 H new ATOM 0 HB2 PRO A 484 15.810 8.042 -11.452 1.00 0.00 H new ATOM 0 HB3 PRO A 484 16.353 8.415 -9.828 1.00 0.00 H new ATOM 0 HG2 PRO A 484 14.131 6.582 -10.707 1.00 0.00 H new ATOM 0 HG3 PRO A 484 15.343 6.326 -9.467 1.00 0.00 H new ATOM 0 HD2 PRO A 484 12.807 7.098 -8.845 1.00 0.00 H new ATOM 0 HD3 PRO A 484 14.179 7.598 -7.876 1.00 0.00 H new ATOM 602 N SER A 485 13.585 10.850 -12.109 1.00 0.00 N ATOM 603 CA SER A 485 12.931 11.161 -13.374 1.00 0.00 C ATOM 604 C SER A 485 13.558 12.392 -14.022 1.00 0.00 C ATOM 605 O SER A 485 13.940 13.340 -13.338 1.00 0.00 O ATOM 606 CB SER A 485 11.434 11.392 -13.155 1.00 0.00 C ATOM 607 OG SER A 485 10.917 10.499 -12.185 1.00 0.00 O ATOM 0 H SER A 485 13.848 11.667 -11.558 1.00 0.00 H new ATOM 0 HA SER A 485 13.066 10.311 -14.043 1.00 0.00 H new ATOM 0 HB2 SER A 485 11.265 12.420 -12.834 1.00 0.00 H new ATOM 0 HB3 SER A 485 10.901 11.260 -14.096 1.00 0.00 H new ATOM 0 HG SER A 485 9.960 10.668 -12.062 1.00 0.00 H new ATOM 613 N GLY A 486 13.661 12.368 -15.347 1.00 0.00 N ATOM 614 CA GLY A 486 14.242 13.486 -16.067 1.00 0.00 C ATOM 615 C GLY A 486 13.521 13.776 -17.368 1.00 0.00 C ATOM 616 O GLY A 486 14.027 13.506 -18.457 1.00 0.00 O ATOM 0 H GLY A 486 13.352 11.594 -15.935 1.00 0.00 H new ATOM 0 HA2 GLY A 486 14.216 14.374 -15.435 1.00 0.00 H new ATOM 0 HA3 GLY A 486 15.291 13.274 -16.276 1.00 0.00 H new ATOM 620 N PRO A 487 12.307 14.338 -17.264 1.00 0.00 N ATOM 621 CA PRO A 487 11.489 14.676 -18.432 1.00 0.00 C ATOM 622 C PRO A 487 12.068 15.841 -19.229 1.00 0.00 C ATOM 623 O PRO A 487 11.830 15.962 -20.430 1.00 0.00 O ATOM 624 CB PRO A 487 10.141 15.065 -17.820 1.00 0.00 C ATOM 625 CG PRO A 487 10.468 15.519 -16.439 1.00 0.00 C ATOM 626 CD PRO A 487 11.641 14.688 -15.998 1.00 0.00 C ATOM 0 HA PRO A 487 11.429 13.850 -19.140 1.00 0.00 H new ATOM 0 HB2 PRO A 487 9.660 15.857 -18.394 1.00 0.00 H new ATOM 0 HB3 PRO A 487 9.454 14.219 -17.806 1.00 0.00 H new ATOM 0 HG2 PRO A 487 10.714 16.581 -16.425 1.00 0.00 H new ATOM 0 HG3 PRO A 487 9.618 15.380 -15.771 1.00 0.00 H new ATOM 0 HD2 PRO A 487 12.303 15.247 -15.337 1.00 0.00 H new ATOM 0 HD3 PRO A 487 11.322 13.800 -15.453 1.00 0.00 H new ATOM 634 N SER A 488 12.829 16.695 -18.551 1.00 0.00 N ATOM 635 CA SER A 488 13.439 17.852 -19.196 1.00 0.00 C ATOM 636 C SER A 488 14.351 17.418 -20.339 1.00 0.00 C ATOM 637 O SER A 488 15.448 16.908 -20.114 1.00 0.00 O ATOM 638 CB SER A 488 14.235 18.669 -18.176 1.00 0.00 C ATOM 639 OG SER A 488 13.656 18.578 -16.886 1.00 0.00 O ATOM 0 H SER A 488 13.038 16.607 -17.556 1.00 0.00 H new ATOM 0 HA SER A 488 12.642 18.472 -19.606 1.00 0.00 H new ATOM 0 HB2 SER A 488 15.264 18.311 -18.142 1.00 0.00 H new ATOM 0 HB3 SER A 488 14.271 19.712 -18.489 1.00 0.00 H new ATOM 0 HG SER A 488 14.184 19.107 -16.252 1.00 0.00 H new ATOM 645 N SER A 489 13.888 17.625 -21.568 1.00 0.00 N ATOM 646 CA SER A 489 14.659 17.253 -22.748 1.00 0.00 C ATOM 647 C SER A 489 15.076 18.490 -23.537 1.00 0.00 C ATOM 648 O SER A 489 16.131 18.510 -24.170 1.00 0.00 O ATOM 649 CB SER A 489 13.843 16.316 -23.642 1.00 0.00 C ATOM 650 OG SER A 489 14.437 16.187 -24.922 1.00 0.00 O ATOM 0 H SER A 489 12.983 18.048 -21.772 1.00 0.00 H new ATOM 0 HA SER A 489 15.558 16.735 -22.415 1.00 0.00 H new ATOM 0 HB2 SER A 489 13.767 15.335 -23.173 1.00 0.00 H new ATOM 0 HB3 SER A 489 12.828 16.700 -23.746 1.00 0.00 H new ATOM 0 HG SER A 489 13.898 15.582 -25.473 1.00 0.00 H new ATOM 656 N GLY A 490 14.239 19.522 -23.494 1.00 0.00 N ATOM 657 CA GLY A 490 14.538 20.750 -24.208 1.00 0.00 C ATOM 658 C GLY A 490 13.969 20.756 -25.614 1.00 0.00 C ATOM 659 O GLY A 490 13.369 19.762 -26.021 1.00 0.00 O ATOM 0 H GLY A 490 13.359 19.530 -22.978 1.00 0.00 H new ATOM 0 HA2 GLY A 490 14.135 21.597 -23.653 1.00 0.00 H new ATOM 0 HA3 GLY A 490 15.619 20.885 -24.256 1.00 0.00 H new TER 663 GLY A 490 HETATM 664 ZN ZN A 201 -1.829 3.010 1.723 1.00 0.00 ZN