USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 425 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 33 HIS HD1 : A 33 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 48 LYS NZ :NH3+ -117:sc= 0.00256 (180deg=-0.259) USER MOD Set 1.2: A 49 GLN : amide:sc= -1.01 K(o=-1,f=-0.37) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.109 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -4.18! C(o=-4.2!,f=-4.4!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -167:sc= 0 (180deg=-0.0982) USER MOD Single : A 35 LYS NZ :NH3+ -119:sc= -0.0725 (180deg=-1.24!) USER MOD Single : A 38 LYS NZ :NH3+ 165:sc= -0.0074 (180deg=-0.138) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.045 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 TYR OH : rot 118:sc= 0.00512 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.176 K(o=-0.18,f=-2.5!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.637 29.457 12.528 1.00 0.00 N ATOM 2 CA GLY A 1 -6.373 30.347 11.412 1.00 0.00 C ATOM 3 C GLY A 1 -6.308 29.612 10.088 1.00 0.00 C ATOM 4 O GLY A 1 -7.316 29.098 9.605 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.672 30.007 13.410 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.549 28.978 12.382 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.880 28.747 12.593 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.153 31.107 11.365 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.431 30.868 11.582 1.00 0.00 H new ATOM 8 N SER A 2 -5.117 29.563 9.498 1.00 0.00 N ATOM 9 CA SER A 2 -4.925 28.891 8.219 1.00 0.00 C ATOM 10 C SER A 2 -4.427 27.464 8.425 1.00 0.00 C ATOM 11 O SER A 2 -3.320 27.246 8.918 1.00 0.00 O ATOM 12 CB SER A 2 -3.933 29.670 7.353 1.00 0.00 C ATOM 13 OG SER A 2 -4.022 29.275 5.995 1.00 0.00 O ATOM 0 H SER A 2 -4.271 29.981 9.886 1.00 0.00 H new ATOM 0 HA SER A 2 -5.888 28.851 7.709 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.132 30.738 7.438 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.919 29.505 7.717 1.00 0.00 H new ATOM 0 HG SER A 2 -3.379 29.788 5.462 1.00 0.00 H new ATOM 19 N SER A 3 -5.253 26.494 8.043 1.00 0.00 N ATOM 20 CA SER A 3 -4.899 25.087 8.189 1.00 0.00 C ATOM 21 C SER A 3 -5.088 24.340 6.872 1.00 0.00 C ATOM 22 O SER A 3 -5.789 24.807 5.976 1.00 0.00 O ATOM 23 CB SER A 3 -5.747 24.437 9.283 1.00 0.00 C ATOM 24 OG SER A 3 -5.464 23.053 9.393 1.00 0.00 O ATOM 0 H SER A 3 -6.171 26.657 7.630 1.00 0.00 H new ATOM 0 HA SER A 3 -3.848 25.030 8.472 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.554 24.928 10.237 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.805 24.579 9.060 1.00 0.00 H new ATOM 0 HG SER A 3 -6.018 22.661 10.100 1.00 0.00 H new ATOM 30 N GLY A 4 -4.455 23.176 6.763 1.00 0.00 N ATOM 31 CA GLY A 4 -4.565 22.382 5.553 1.00 0.00 C ATOM 32 C GLY A 4 -3.858 21.047 5.670 1.00 0.00 C ATOM 33 O GLY A 4 -2.655 20.994 5.927 1.00 0.00 O ATOM 0 H GLY A 4 -3.868 22.769 7.491 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.618 22.214 5.327 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.145 22.940 4.716 1.00 0.00 H new ATOM 37 N SER A 5 -4.606 19.964 5.481 1.00 0.00 N ATOM 38 CA SER A 5 -4.044 18.622 5.571 1.00 0.00 C ATOM 39 C SER A 5 -4.311 17.833 4.293 1.00 0.00 C ATOM 40 O SER A 5 -5.273 17.068 4.211 1.00 0.00 O ATOM 41 CB SER A 5 -4.632 17.880 6.774 1.00 0.00 C ATOM 42 OG SER A 5 -3.892 18.151 7.951 1.00 0.00 O ATOM 0 H SER A 5 -5.602 19.990 5.265 1.00 0.00 H new ATOM 0 HA SER A 5 -2.966 18.715 5.701 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.671 18.178 6.917 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.632 16.808 6.579 1.00 0.00 H new ATOM 0 HG SER A 5 -4.288 17.667 8.705 1.00 0.00 H new ATOM 48 N SER A 6 -3.454 18.026 3.296 1.00 0.00 N ATOM 49 CA SER A 6 -3.598 17.337 2.019 1.00 0.00 C ATOM 50 C SER A 6 -2.704 16.102 1.964 1.00 0.00 C ATOM 51 O SER A 6 -1.608 16.140 1.405 1.00 0.00 O ATOM 52 CB SER A 6 -3.256 18.280 0.865 1.00 0.00 C ATOM 53 OG SER A 6 -4.302 19.209 0.637 1.00 0.00 O ATOM 0 H SER A 6 -2.652 18.654 3.348 1.00 0.00 H new ATOM 0 HA SER A 6 -4.636 17.017 1.922 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.333 18.815 1.090 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.076 17.701 -0.041 1.00 0.00 H new ATOM 0 HG SER A 6 -4.058 19.801 -0.105 1.00 0.00 H new ATOM 59 N GLY A 7 -3.180 15.007 2.549 1.00 0.00 N ATOM 60 CA GLY A 7 -2.412 13.776 2.556 1.00 0.00 C ATOM 61 C GLY A 7 -2.005 13.355 3.954 1.00 0.00 C ATOM 62 O GLY A 7 -0.849 13.513 4.344 1.00 0.00 O ATOM 0 H GLY A 7 -4.084 14.951 3.018 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.001 12.981 2.097 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.519 13.905 1.944 1.00 0.00 H new ATOM 66 N GLN A 8 -2.958 12.818 4.710 1.00 0.00 N ATOM 67 CA GLN A 8 -2.692 12.376 6.074 1.00 0.00 C ATOM 68 C GLN A 8 -2.912 10.873 6.211 1.00 0.00 C ATOM 69 O GLN A 8 -4.026 10.419 6.473 1.00 0.00 O ATOM 70 CB GLN A 8 -3.588 13.127 7.060 1.00 0.00 C ATOM 71 CG GLN A 8 -3.056 13.130 8.484 1.00 0.00 C ATOM 72 CD GLN A 8 -3.452 11.888 9.258 1.00 0.00 C ATOM 73 OE1 GLN A 8 -4.231 11.065 8.777 1.00 0.00 O ATOM 74 NE2 GLN A 8 -2.915 11.745 10.464 1.00 0.00 N ATOM 0 H GLN A 8 -3.920 12.679 4.401 1.00 0.00 H new ATOM 0 HA GLN A 8 -1.649 12.595 6.304 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -3.703 14.157 6.722 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.580 12.676 7.053 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -1.969 13.208 8.461 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.428 14.012 9.005 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -2.274 12.452 10.824 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -3.144 10.928 11.031 1.00 0.00 H new ATOM 83 N CYS A 9 -1.842 10.105 6.031 1.00 0.00 N ATOM 84 CA CYS A 9 -1.917 8.652 6.134 1.00 0.00 C ATOM 85 C CYS A 9 -2.565 8.233 7.450 1.00 0.00 C ATOM 86 O CYS A 9 -2.262 8.785 8.507 1.00 0.00 O ATOM 87 CB CYS A 9 -0.520 8.039 6.022 1.00 0.00 C ATOM 88 SG CYS A 9 -0.429 6.296 6.541 1.00 0.00 S ATOM 0 H CYS A 9 -0.913 10.465 5.813 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.534 8.286 5.313 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.182 8.117 4.989 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.171 8.624 6.628 1.00 0.00 H new ATOM 93 N GLY A 10 -3.459 7.252 7.377 1.00 0.00 N ATOM 94 CA GLY A 10 -4.135 6.774 8.569 1.00 0.00 C ATOM 95 C GLY A 10 -3.198 6.057 9.520 1.00 0.00 C ATOM 96 O GLY A 10 -3.284 6.229 10.735 1.00 0.00 O ATOM 0 H GLY A 10 -3.727 6.780 6.514 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.595 7.617 9.084 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.940 6.099 8.280 1.00 0.00 H new ATOM 100 N ALA A 11 -2.300 5.249 8.965 1.00 0.00 N ATOM 101 CA ALA A 11 -1.342 4.502 9.772 1.00 0.00 C ATOM 102 C ALA A 11 -0.519 5.438 10.651 1.00 0.00 C ATOM 103 O ALA A 11 -0.467 5.275 11.871 1.00 0.00 O ATOM 104 CB ALA A 11 -0.430 3.675 8.878 1.00 0.00 C ATOM 0 H ALA A 11 -2.216 5.095 7.960 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.899 3.829 10.424 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.280 3.123 9.494 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.029 2.974 8.297 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.113 4.335 8.202 1.00 0.00 H new ATOM 110 N CYS A 12 0.125 6.416 10.024 1.00 0.00 N ATOM 111 CA CYS A 12 0.948 7.378 10.749 1.00 0.00 C ATOM 112 C CYS A 12 0.438 8.800 10.536 1.00 0.00 C ATOM 113 O CYS A 12 0.293 9.567 11.487 1.00 0.00 O ATOM 114 CB CYS A 12 2.407 7.274 10.297 1.00 0.00 C ATOM 115 SG CYS A 12 2.677 7.714 8.550 1.00 0.00 S ATOM 0 H CYS A 12 0.093 6.564 9.015 1.00 0.00 H new ATOM 0 HA CYS A 12 0.886 7.144 11.812 1.00 0.00 H new ATOM 0 HB2 CYS A 12 3.017 7.925 10.923 1.00 0.00 H new ATOM 0 HB3 CYS A 12 2.756 6.254 10.462 1.00 0.00 H new ATOM 120 N GLY A 13 0.166 9.144 9.281 1.00 0.00 N ATOM 121 CA GLY A 13 -0.325 10.473 8.965 1.00 0.00 C ATOM 122 C GLY A 13 0.787 11.501 8.898 1.00 0.00 C ATOM 123 O GLY A 13 0.847 12.414 9.721 1.00 0.00 O ATOM 0 H GLY A 13 0.277 8.526 8.477 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.849 10.446 8.009 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.052 10.777 9.718 1.00 0.00 H new ATOM 127 N GLU A 14 1.670 11.351 7.916 1.00 0.00 N ATOM 128 CA GLU A 14 2.787 12.274 7.747 1.00 0.00 C ATOM 129 C GLU A 14 2.413 13.413 6.802 1.00 0.00 C ATOM 130 O GLU A 14 1.361 13.385 6.164 1.00 0.00 O ATOM 131 CB GLU A 14 4.013 11.533 7.209 1.00 0.00 C ATOM 132 CG GLU A 14 4.772 10.759 8.274 1.00 0.00 C ATOM 133 CD GLU A 14 6.171 10.378 7.832 1.00 0.00 C ATOM 134 OE1 GLU A 14 6.416 10.332 6.608 1.00 0.00 O ATOM 135 OE2 GLU A 14 7.023 10.127 8.711 1.00 0.00 O ATOM 0 H GLU A 14 1.634 10.600 7.226 1.00 0.00 H new ATOM 0 HA GLU A 14 3.026 12.697 8.723 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.696 10.843 6.427 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.687 12.253 6.745 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.833 11.360 9.181 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.216 9.856 8.527 1.00 0.00 H new ATOM 142 N SER A 15 3.282 14.415 6.720 1.00 0.00 N ATOM 143 CA SER A 15 3.042 15.567 5.858 1.00 0.00 C ATOM 144 C SER A 15 2.925 15.137 4.399 1.00 0.00 C ATOM 145 O SER A 15 3.333 14.036 4.029 1.00 0.00 O ATOM 146 CB SER A 15 4.170 16.589 6.012 1.00 0.00 C ATOM 147 OG SER A 15 5.243 16.302 5.132 1.00 0.00 O ATOM 0 H SER A 15 4.159 14.453 7.240 1.00 0.00 H new ATOM 0 HA SER A 15 2.101 16.027 6.160 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.788 17.590 5.810 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.529 16.586 7.041 1.00 0.00 H new ATOM 0 HG SER A 15 5.950 16.971 5.249 1.00 0.00 H new ATOM 153 N TYR A 16 2.365 16.015 3.574 1.00 0.00 N ATOM 154 CA TYR A 16 2.191 15.728 2.155 1.00 0.00 C ATOM 155 C TYR A 16 3.520 15.343 1.511 1.00 0.00 C ATOM 156 O TYR A 16 4.333 16.204 1.178 1.00 0.00 O ATOM 157 CB TYR A 16 1.595 16.940 1.437 1.00 0.00 C ATOM 158 CG TYR A 16 1.623 16.824 -0.070 1.00 0.00 C ATOM 159 CD1 TYR A 16 0.893 15.839 -0.724 1.00 0.00 C ATOM 160 CD2 TYR A 16 2.378 17.699 -0.840 1.00 0.00 C ATOM 161 CE1 TYR A 16 0.915 15.729 -2.101 1.00 0.00 C ATOM 162 CE2 TYR A 16 2.405 17.598 -2.218 1.00 0.00 C ATOM 163 CZ TYR A 16 1.673 16.611 -2.844 1.00 0.00 C ATOM 164 OH TYR A 16 1.698 16.505 -4.215 1.00 0.00 O ATOM 0 H TYR A 16 2.024 16.932 3.864 1.00 0.00 H new ATOM 0 HA TYR A 16 1.505 14.886 2.062 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.564 17.075 1.764 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.143 17.834 1.735 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.298 15.147 -0.146 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.954 18.472 -0.353 1.00 0.00 H new ATOM 0 HE1 TYR A 16 0.342 14.957 -2.593 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.996 18.288 -2.802 1.00 0.00 H new ATOM 0 HH TYR A 16 2.278 17.202 -4.586 1.00 0.00 H new ATOM 174 N ALA A 17 3.731 14.043 1.337 1.00 0.00 N ATOM 175 CA ALA A 17 4.958 13.542 0.730 1.00 0.00 C ATOM 176 C ALA A 17 4.697 13.003 -0.672 1.00 0.00 C ATOM 177 O ALA A 17 3.734 12.271 -0.896 1.00 0.00 O ATOM 178 CB ALA A 17 5.578 12.463 1.606 1.00 0.00 C ATOM 0 H ALA A 17 3.068 13.317 1.608 1.00 0.00 H new ATOM 0 HA ALA A 17 5.658 14.373 0.646 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.494 12.098 1.140 1.00 0.00 H new ATOM 0 HB2 ALA A 17 5.810 12.879 2.586 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.875 11.638 1.720 1.00 0.00 H new ATOM 184 N ALA A 18 5.560 13.371 -1.613 1.00 0.00 N ATOM 185 CA ALA A 18 5.423 12.923 -2.993 1.00 0.00 C ATOM 186 C ALA A 18 6.311 11.714 -3.269 1.00 0.00 C ATOM 187 O ALA A 18 5.854 10.708 -3.811 1.00 0.00 O ATOM 188 CB ALA A 18 5.759 14.056 -3.952 1.00 0.00 C ATOM 0 H ALA A 18 6.362 13.979 -1.445 1.00 0.00 H new ATOM 0 HA ALA A 18 4.387 12.624 -3.150 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.652 13.707 -4.979 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.080 14.891 -3.780 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.785 14.382 -3.784 1.00 0.00 H new ATOM 194 N ASP A 19 7.580 11.820 -2.893 1.00 0.00 N ATOM 195 CA ASP A 19 8.532 10.735 -3.099 1.00 0.00 C ATOM 196 C ASP A 19 7.974 9.415 -2.576 1.00 0.00 C ATOM 197 O ASP A 19 7.954 8.413 -3.289 1.00 0.00 O ATOM 198 CB ASP A 19 9.858 11.052 -2.406 1.00 0.00 C ATOM 199 CG ASP A 19 10.235 12.516 -2.520 1.00 0.00 C ATOM 200 OD1 ASP A 19 10.382 13.003 -3.660 1.00 0.00 O ATOM 201 OD2 ASP A 19 10.385 13.174 -1.469 1.00 0.00 O ATOM 0 H ASP A 19 7.974 12.647 -2.444 1.00 0.00 H new ATOM 0 HA ASP A 19 8.705 10.637 -4.171 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.789 10.778 -1.353 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.648 10.441 -2.843 1.00 0.00 H new ATOM 206 N GLU A 20 7.521 9.424 -1.326 1.00 0.00 N ATOM 207 CA GLU A 20 6.964 8.227 -0.707 1.00 0.00 C ATOM 208 C GLU A 20 5.920 7.582 -1.614 1.00 0.00 C ATOM 209 O GLU A 20 5.335 8.241 -2.473 1.00 0.00 O ATOM 210 CB GLU A 20 6.339 8.569 0.647 1.00 0.00 C ATOM 211 CG GLU A 20 7.329 8.538 1.799 1.00 0.00 C ATOM 212 CD GLU A 20 8.568 9.369 1.527 1.00 0.00 C ATOM 213 OE1 GLU A 20 8.425 10.493 1.002 1.00 0.00 O ATOM 214 OE2 GLU A 20 9.680 8.895 1.839 1.00 0.00 O ATOM 0 H GLU A 20 7.529 10.246 -0.723 1.00 0.00 H new ATOM 0 HA GLU A 20 7.776 7.516 -0.554 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.891 9.561 0.591 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.532 7.866 0.853 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.841 8.905 2.702 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.623 7.506 1.992 1.00 0.00 H new ATOM 221 N PHE A 21 5.691 6.288 -1.416 1.00 0.00 N ATOM 222 CA PHE A 21 4.719 5.552 -2.216 1.00 0.00 C ATOM 223 C PHE A 21 3.450 5.278 -1.413 1.00 0.00 C ATOM 224 O PHE A 21 3.504 4.710 -0.322 1.00 0.00 O ATOM 225 CB PHE A 21 5.322 4.233 -2.704 1.00 0.00 C ATOM 226 CG PHE A 21 4.304 3.147 -2.906 1.00 0.00 C ATOM 227 CD1 PHE A 21 3.377 3.230 -3.932 1.00 0.00 C ATOM 228 CD2 PHE A 21 4.274 2.044 -2.068 1.00 0.00 C ATOM 229 CE1 PHE A 21 2.440 2.232 -4.121 1.00 0.00 C ATOM 230 CE2 PHE A 21 3.339 1.042 -2.252 1.00 0.00 C ATOM 231 CZ PHE A 21 2.420 1.137 -3.279 1.00 0.00 C ATOM 0 H PHE A 21 6.165 5.727 -0.708 1.00 0.00 H new ATOM 0 HA PHE A 21 4.457 6.165 -3.079 1.00 0.00 H new ATOM 0 HB2 PHE A 21 5.846 4.408 -3.644 1.00 0.00 H new ATOM 0 HB3 PHE A 21 6.065 3.894 -1.983 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.387 4.085 -4.592 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.989 1.966 -1.262 1.00 0.00 H new ATOM 0 HE1 PHE A 21 1.724 2.308 -4.926 1.00 0.00 H new ATOM 0 HE2 PHE A 21 3.327 0.186 -1.594 1.00 0.00 H new ATOM 0 HZ PHE A 21 1.687 0.357 -3.423 1.00 0.00 H new ATOM 241 N TRP A 22 2.312 5.686 -1.961 1.00 0.00 N ATOM 242 CA TRP A 22 1.029 5.485 -1.296 1.00 0.00 C ATOM 243 C TRP A 22 0.245 4.355 -1.954 1.00 0.00 C ATOM 244 O TRP A 22 0.420 4.076 -3.141 1.00 0.00 O ATOM 245 CB TRP A 22 0.208 6.776 -1.325 1.00 0.00 C ATOM 246 CG TRP A 22 0.944 7.960 -0.775 1.00 0.00 C ATOM 247 CD1 TRP A 22 2.057 8.551 -1.300 1.00 0.00 C ATOM 248 CD2 TRP A 22 0.619 8.696 0.410 1.00 0.00 C ATOM 249 NE1 TRP A 22 2.444 9.609 -0.514 1.00 0.00 N ATOM 250 CE2 TRP A 22 1.577 9.720 0.541 1.00 0.00 C ATOM 251 CE3 TRP A 22 -0.390 8.591 1.371 1.00 0.00 C ATOM 252 CZ2 TRP A 22 1.555 10.629 1.595 1.00 0.00 C ATOM 253 CZ3 TRP A 22 -0.410 9.494 2.417 1.00 0.00 C ATOM 254 CH2 TRP A 22 0.557 10.503 2.522 1.00 0.00 C ATOM 0 H TRP A 22 2.251 6.158 -2.863 1.00 0.00 H new ATOM 0 HA TRP A 22 1.225 5.210 -0.260 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -0.088 6.987 -2.353 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -0.708 6.629 -0.753 1.00 0.00 H new ATOM 0 HD1 TRP A 22 2.560 8.233 -2.201 1.00 0.00 H new ATOM 0 HE1 TRP A 22 3.247 10.214 -0.688 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -1.141 7.818 1.298 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 2.300 11.407 1.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -1.184 9.421 3.166 1.00 0.00 H new ATOM 0 HH2 TRP A 22 0.513 11.194 3.351 1.00 0.00 H new ATOM 265 N ILE A 23 -0.617 3.709 -1.178 1.00 0.00 N ATOM 266 CA ILE A 23 -1.428 2.610 -1.687 1.00 0.00 C ATOM 267 C ILE A 23 -2.871 3.049 -1.911 1.00 0.00 C ATOM 268 O ILE A 23 -3.351 3.987 -1.274 1.00 0.00 O ATOM 269 CB ILE A 23 -1.413 1.406 -0.727 1.00 0.00 C ATOM 270 CG1 ILE A 23 -2.495 1.566 0.343 1.00 0.00 C ATOM 271 CG2 ILE A 23 -0.042 1.260 -0.083 1.00 0.00 C ATOM 272 CD1 ILE A 23 -3.875 1.164 -0.129 1.00 0.00 C ATOM 0 H ILE A 23 -0.772 3.927 -0.194 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.990 2.310 -2.639 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.624 0.502 -1.298 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.227 0.965 1.212 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.520 2.605 0.670 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.047 0.405 0.593 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.709 1.106 -0.858 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.195 2.164 0.478 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.591 1.303 0.681 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -4.163 1.782 -0.979 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.866 0.116 -0.429 1.00 0.00 H new ATOM 284 N CYS A 24 -3.558 2.363 -2.818 1.00 0.00 N ATOM 285 CA CYS A 24 -4.948 2.682 -3.126 1.00 0.00 C ATOM 286 C CYS A 24 -5.861 1.504 -2.798 1.00 0.00 C ATOM 287 O CYS A 24 -5.820 0.469 -3.464 1.00 0.00 O ATOM 288 CB CYS A 24 -5.092 3.059 -4.601 1.00 0.00 C ATOM 289 SG CYS A 24 -6.752 3.606 -5.064 1.00 0.00 S ATOM 0 H CYS A 24 -3.176 1.583 -3.353 1.00 0.00 H new ATOM 0 HA CYS A 24 -5.245 3.532 -2.511 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -4.382 3.852 -4.833 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -4.821 2.199 -5.213 1.00 0.00 H new ATOM 0 HG CYS A 24 -6.773 3.904 -6.329 1.00 0.00 H new ATOM 295 N CYS A 25 -6.683 1.669 -1.768 1.00 0.00 N ATOM 296 CA CYS A 25 -7.605 0.620 -1.349 1.00 0.00 C ATOM 297 C CYS A 25 -8.863 0.624 -2.214 1.00 0.00 C ATOM 298 O CYS A 25 -9.159 1.609 -2.891 1.00 0.00 O ATOM 299 CB CYS A 25 -7.984 0.802 0.122 1.00 0.00 C ATOM 300 SG CYS A 25 -9.197 -0.412 0.733 1.00 0.00 S ATOM 0 H CYS A 25 -6.730 2.520 -1.207 1.00 0.00 H new ATOM 0 HA CYS A 25 -7.103 -0.340 -1.472 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -7.082 0.735 0.730 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -8.388 1.805 0.261 1.00 0.00 H new ATOM 305 N ASP A 26 -9.597 -0.482 -2.185 1.00 0.00 N ATOM 306 CA ASP A 26 -10.824 -0.606 -2.964 1.00 0.00 C ATOM 307 C ASP A 26 -12.031 -0.139 -2.156 1.00 0.00 C ATOM 308 O ASP A 26 -12.929 0.516 -2.685 1.00 0.00 O ATOM 309 CB ASP A 26 -11.024 -2.054 -3.413 1.00 0.00 C ATOM 310 CG ASP A 26 -12.485 -2.396 -3.631 1.00 0.00 C ATOM 311 OD1 ASP A 26 -13.221 -2.516 -2.630 1.00 0.00 O ATOM 312 OD2 ASP A 26 -12.891 -2.545 -4.802 1.00 0.00 O ATOM 0 H ASP A 26 -9.364 -1.306 -1.631 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.732 0.030 -3.845 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -10.472 -2.224 -4.337 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -10.605 -2.725 -2.663 1.00 0.00 H new ATOM 317 N LEU A 27 -12.045 -0.482 -0.873 1.00 0.00 N ATOM 318 CA LEU A 27 -13.142 -0.099 0.009 1.00 0.00 C ATOM 319 C LEU A 27 -13.025 1.365 0.420 1.00 0.00 C ATOM 320 O LEU A 27 -13.755 2.222 -0.079 1.00 0.00 O ATOM 321 CB LEU A 27 -13.158 -0.990 1.252 1.00 0.00 C ATOM 322 CG LEU A 27 -13.751 -2.387 1.069 1.00 0.00 C ATOM 323 CD1 LEU A 27 -13.091 -3.376 2.017 1.00 0.00 C ATOM 324 CD2 LEU A 27 -15.257 -2.361 1.288 1.00 0.00 C ATOM 0 H LEU A 27 -11.309 -1.024 -0.420 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.077 -0.230 -0.536 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.135 -1.096 1.612 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.719 -0.478 2.034 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.558 -2.711 0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.526 -4.365 1.872 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.021 -3.417 1.813 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.252 -3.056 3.046 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.662 -3.364 1.154 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.472 -2.016 2.299 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.718 -1.684 0.568 1.00 0.00 H new ATOM 336 N CYS A 28 -12.100 1.646 1.332 1.00 0.00 N ATOM 337 CA CYS A 28 -11.885 3.007 1.809 1.00 0.00 C ATOM 338 C CYS A 28 -11.034 3.801 0.823 1.00 0.00 C ATOM 339 O CYS A 28 -11.045 5.032 0.830 1.00 0.00 O ATOM 340 CB CYS A 28 -11.208 2.986 3.182 1.00 0.00 C ATOM 341 SG CYS A 28 -9.439 2.555 3.132 1.00 0.00 S ATOM 0 H CYS A 28 -11.487 0.949 1.755 1.00 0.00 H new ATOM 0 HA CYS A 28 -12.857 3.493 1.896 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -11.319 3.966 3.645 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -11.727 2.271 3.820 1.00 0.00 H new ATOM 346 N GLU A 29 -10.300 3.088 -0.025 1.00 0.00 N ATOM 347 CA GLU A 29 -9.443 3.727 -1.018 1.00 0.00 C ATOM 348 C GLU A 29 -8.810 4.996 -0.453 1.00 0.00 C ATOM 349 O GLU A 29 -8.737 6.020 -1.131 1.00 0.00 O ATOM 350 CB GLU A 29 -10.246 4.062 -2.277 1.00 0.00 C ATOM 351 CG GLU A 29 -11.286 5.149 -2.065 1.00 0.00 C ATOM 352 CD GLU A 29 -12.226 5.295 -3.246 1.00 0.00 C ATOM 353 OE1 GLU A 29 -11.741 5.602 -4.355 1.00 0.00 O ATOM 354 OE2 GLU A 29 -13.446 5.104 -3.061 1.00 0.00 O ATOM 0 H GLU A 29 -10.281 2.068 -0.045 1.00 0.00 H new ATOM 0 HA GLU A 29 -8.648 3.029 -1.278 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.559 4.377 -3.063 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.744 3.159 -2.631 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.865 4.923 -1.170 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.782 6.099 -1.887 1.00 0.00 H new ATOM 361 N MET A 30 -8.353 4.918 0.792 1.00 0.00 N ATOM 362 CA MET A 30 -7.725 6.059 1.448 1.00 0.00 C ATOM 363 C MET A 30 -6.290 6.241 0.966 1.00 0.00 C ATOM 364 O MET A 30 -5.836 5.540 0.061 1.00 0.00 O ATOM 365 CB MET A 30 -7.747 5.877 2.967 1.00 0.00 C ATOM 366 CG MET A 30 -8.987 6.453 3.631 1.00 0.00 C ATOM 367 SD MET A 30 -8.818 8.206 4.017 1.00 0.00 S ATOM 368 CE MET A 30 -7.765 8.134 5.464 1.00 0.00 C ATOM 0 H MET A 30 -8.406 4.077 1.367 1.00 0.00 H new ATOM 0 HA MET A 30 -8.292 6.953 1.189 1.00 0.00 H new ATOM 0 HB2 MET A 30 -7.682 4.814 3.198 1.00 0.00 H new ATOM 0 HB3 MET A 30 -6.863 6.351 3.394 1.00 0.00 H new ATOM 0 HG2 MET A 30 -9.845 6.311 2.974 1.00 0.00 H new ATOM 0 HG3 MET A 30 -9.193 5.901 4.548 1.00 0.00 H new ATOM 0 HE1 MET A 30 -7.756 9.107 5.956 1.00 0.00 H new ATOM 0 HE2 MET A 30 -8.146 7.382 6.154 1.00 0.00 H new ATOM 0 HE3 MET A 30 -6.751 7.870 5.163 1.00 0.00 H new ATOM 378 N TRP A 31 -5.581 7.184 1.575 1.00 0.00 N ATOM 379 CA TRP A 31 -4.196 7.457 1.207 1.00 0.00 C ATOM 380 C TRP A 31 -3.240 6.979 2.294 1.00 0.00 C ATOM 381 O TRP A 31 -2.958 7.704 3.249 1.00 0.00 O ATOM 382 CB TRP A 31 -3.998 8.953 0.958 1.00 0.00 C ATOM 383 CG TRP A 31 -4.857 9.819 1.830 1.00 0.00 C ATOM 384 CD1 TRP A 31 -5.169 9.608 3.143 1.00 0.00 C ATOM 385 CD2 TRP A 31 -5.516 11.032 1.449 1.00 0.00 C ATOM 386 NE1 TRP A 31 -5.982 10.616 3.601 1.00 0.00 N ATOM 387 CE2 TRP A 31 -6.209 11.503 2.582 1.00 0.00 C ATOM 388 CE3 TRP A 31 -5.587 11.767 0.263 1.00 0.00 C ATOM 389 CZ2 TRP A 31 -6.962 12.673 2.560 1.00 0.00 C ATOM 390 CZ3 TRP A 31 -6.335 12.929 0.243 1.00 0.00 C ATOM 391 CH2 TRP A 31 -7.014 13.373 1.385 1.00 0.00 C ATOM 0 H TRP A 31 -5.942 7.773 2.326 1.00 0.00 H new ATOM 0 HA TRP A 31 -3.976 6.911 0.290 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -2.951 9.206 1.125 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -4.216 9.172 -0.087 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -4.827 8.771 3.734 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -6.356 10.692 4.547 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.067 11.433 -0.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -7.487 13.017 3.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -6.397 13.505 -0.669 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -7.590 14.285 1.337 1.00 0.00 H new ATOM 402 N PHE A 32 -2.742 5.756 2.143 1.00 0.00 N ATOM 403 CA PHE A 32 -1.817 5.182 3.113 1.00 0.00 C ATOM 404 C PHE A 32 -0.410 5.087 2.532 1.00 0.00 C ATOM 405 O PHE A 32 -0.169 5.480 1.390 1.00 0.00 O ATOM 406 CB PHE A 32 -2.296 3.795 3.546 1.00 0.00 C ATOM 407 CG PHE A 32 -3.698 3.786 4.085 1.00 0.00 C ATOM 408 CD1 PHE A 32 -3.993 4.391 5.296 1.00 0.00 C ATOM 409 CD2 PHE A 32 -4.721 3.172 3.381 1.00 0.00 C ATOM 410 CE1 PHE A 32 -5.282 4.385 5.795 1.00 0.00 C ATOM 411 CE2 PHE A 32 -6.012 3.163 3.874 1.00 0.00 C ATOM 412 CZ PHE A 32 -6.293 3.769 5.083 1.00 0.00 C ATOM 0 H PHE A 32 -2.964 5.143 1.358 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.789 5.838 3.983 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.238 3.117 2.694 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.620 3.407 4.308 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.206 4.873 5.857 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -4.507 2.695 2.436 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.498 4.861 6.740 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.801 2.682 3.314 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.301 3.761 5.471 1.00 0.00 H new ATOM 422 N HIS A 33 0.519 4.565 3.328 1.00 0.00 N ATOM 423 CA HIS A 33 1.903 4.419 2.893 1.00 0.00 C ATOM 424 C HIS A 33 2.239 2.954 2.630 1.00 0.00 C ATOM 425 O HIS A 33 2.085 2.105 3.507 1.00 0.00 O ATOM 426 CB HIS A 33 2.853 4.990 3.946 1.00 0.00 C ATOM 427 CG HIS A 33 2.872 6.487 3.987 1.00 0.00 C ATOM 428 ND1 HIS A 33 2.722 7.211 5.151 1.00 0.00 N ATOM 429 CD2 HIS A 33 3.025 7.398 2.997 1.00 0.00 C ATOM 430 CE1 HIS A 33 2.781 8.502 4.876 1.00 0.00 C ATOM 431 NE2 HIS A 33 2.965 8.642 3.575 1.00 0.00 N ATOM 0 H HIS A 33 0.338 4.237 4.277 1.00 0.00 H new ATOM 0 HA HIS A 33 2.026 4.974 1.963 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.565 4.612 4.927 1.00 0.00 H new ATOM 0 HB3 HIS A 33 3.862 4.627 3.748 1.00 0.00 H new ATOM 0 HD2 HIS A 33 3.168 7.186 1.948 1.00 0.00 H new ATOM 0 HE1 HIS A 33 2.694 9.306 5.592 1.00 0.00 H new ATOM 0 HE2 HIS A 33 3.049 9.530 3.080 1.00 0.00 H new ATOM 439 N GLY A 34 2.696 2.665 1.416 1.00 0.00 N ATOM 440 CA GLY A 34 3.045 1.302 1.059 1.00 0.00 C ATOM 441 C GLY A 34 3.644 0.534 2.221 1.00 0.00 C ATOM 442 O GLY A 34 3.217 -0.580 2.525 1.00 0.00 O ATOM 0 H GLY A 34 2.831 3.350 0.673 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.154 0.783 0.705 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.755 1.317 0.232 1.00 0.00 H new ATOM 446 N LYS A 35 4.638 1.129 2.872 1.00 0.00 N ATOM 447 CA LYS A 35 5.298 0.495 4.006 1.00 0.00 C ATOM 448 C LYS A 35 4.332 0.328 5.175 1.00 0.00 C ATOM 449 O LYS A 35 4.373 -0.674 5.890 1.00 0.00 O ATOM 450 CB LYS A 35 6.508 1.322 4.446 1.00 0.00 C ATOM 451 CG LYS A 35 7.096 0.880 5.775 1.00 0.00 C ATOM 452 CD LYS A 35 7.641 -0.537 5.701 1.00 0.00 C ATOM 453 CE LYS A 35 9.045 -0.565 5.118 1.00 0.00 C ATOM 454 NZ LYS A 35 9.028 -0.712 3.636 1.00 0.00 N ATOM 0 H LYS A 35 5.004 2.050 2.633 1.00 0.00 H new ATOM 0 HA LYS A 35 5.635 -0.493 3.692 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.279 1.259 3.678 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.215 2.369 4.518 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.894 1.563 6.066 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.331 0.936 6.549 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.651 -0.976 6.698 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.980 -1.151 5.089 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.568 0.353 5.386 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.605 -1.390 5.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.517 -1.590 3.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.044 -0.749 3.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.511 0.100 3.201 1.00 0.00 H new ATOM 468 N CYS A 36 3.461 1.314 5.362 1.00 0.00 N ATOM 469 CA CYS A 36 2.483 1.276 6.442 1.00 0.00 C ATOM 470 C CYS A 36 1.491 0.135 6.239 1.00 0.00 C ATOM 471 O CYS A 36 1.153 -0.584 7.180 1.00 0.00 O ATOM 472 CB CYS A 36 1.734 2.608 6.527 1.00 0.00 C ATOM 473 SG CYS A 36 2.639 3.914 7.419 1.00 0.00 S ATOM 0 H CYS A 36 3.413 2.150 4.779 1.00 0.00 H new ATOM 0 HA CYS A 36 3.018 1.107 7.376 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.517 2.956 5.517 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.776 2.443 7.020 1.00 0.00 H new ATOM 478 N VAL A 37 1.029 -0.027 5.003 1.00 0.00 N ATOM 479 CA VAL A 37 0.077 -1.082 4.675 1.00 0.00 C ATOM 480 C VAL A 37 0.779 -2.426 4.520 1.00 0.00 C ATOM 481 O VAL A 37 0.198 -3.388 4.017 1.00 0.00 O ATOM 482 CB VAL A 37 -0.689 -0.762 3.377 1.00 0.00 C ATOM 483 CG1 VAL A 37 -1.438 0.555 3.509 1.00 0.00 C ATOM 484 CG2 VAL A 37 0.264 -0.727 2.192 1.00 0.00 C ATOM 0 H VAL A 37 1.298 0.559 4.213 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.631 -1.139 5.502 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.420 -1.551 3.203 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.973 0.764 2.582 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.150 0.488 4.332 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.729 1.359 3.708 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.293 -0.500 1.283 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.020 0.041 2.356 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.749 -1.697 2.087 1.00 0.00 H new ATOM 494 N LYS A 38 2.032 -2.487 4.956 1.00 0.00 N ATOM 495 CA LYS A 38 2.815 -3.714 4.869 1.00 0.00 C ATOM 496 C LYS A 38 2.981 -4.151 3.417 1.00 0.00 C ATOM 497 O LYS A 38 2.758 -5.314 3.080 1.00 0.00 O ATOM 498 CB LYS A 38 2.144 -4.829 5.675 1.00 0.00 C ATOM 499 CG LYS A 38 2.452 -4.775 7.161 1.00 0.00 C ATOM 500 CD LYS A 38 1.318 -5.358 7.987 1.00 0.00 C ATOM 501 CE LYS A 38 1.353 -4.848 9.420 1.00 0.00 C ATOM 502 NZ LYS A 38 0.918 -3.427 9.514 1.00 0.00 N ATOM 0 H LYS A 38 2.528 -1.700 5.374 1.00 0.00 H new ATOM 0 HA LYS A 38 3.803 -3.516 5.286 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.065 -4.769 5.534 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.464 -5.794 5.281 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.371 -5.325 7.363 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.627 -3.742 7.460 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.363 -5.098 7.530 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.387 -6.446 7.985 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.707 -5.467 10.042 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.364 -4.945 9.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.711 -3.192 10.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.676 -2.808 9.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.062 -3.287 8.939 1.00 0.00 H new ATOM 516 N ILE A 39 3.375 -3.213 2.563 1.00 0.00 N ATOM 517 CA ILE A 39 3.573 -3.503 1.148 1.00 0.00 C ATOM 518 C ILE A 39 4.767 -2.735 0.592 1.00 0.00 C ATOM 519 O ILE A 39 4.976 -1.566 0.920 1.00 0.00 O ATOM 520 CB ILE A 39 2.322 -3.153 0.321 1.00 0.00 C ATOM 521 CG1 ILE A 39 1.180 -4.118 0.651 1.00 0.00 C ATOM 522 CG2 ILE A 39 2.642 -3.192 -1.166 1.00 0.00 C ATOM 523 CD1 ILE A 39 -0.137 -3.735 0.014 1.00 0.00 C ATOM 0 H ILE A 39 3.564 -2.246 2.826 1.00 0.00 H new ATOM 0 HA ILE A 39 3.763 -4.573 1.069 1.00 0.00 H new ATOM 0 HB ILE A 39 2.005 -2.142 0.578 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.455 -5.120 0.322 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.052 -4.161 1.733 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.748 -2.942 -1.737 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.428 -2.470 -1.388 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.980 -4.192 -1.439 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.900 -4.462 0.291 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.435 -2.746 0.362 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.026 -3.720 -1.070 1.00 0.00 H new ATOM 535 N THR A 40 5.549 -3.398 -0.254 1.00 0.00 N ATOM 536 CA THR A 40 6.722 -2.779 -0.858 1.00 0.00 C ATOM 537 C THR A 40 6.348 -2.000 -2.113 1.00 0.00 C ATOM 538 O THR A 40 5.361 -2.297 -2.787 1.00 0.00 O ATOM 539 CB THR A 40 7.789 -3.829 -1.218 1.00 0.00 C ATOM 540 OG1 THR A 40 7.199 -4.883 -1.987 1.00 0.00 O ATOM 541 CG2 THR A 40 8.426 -4.406 0.037 1.00 0.00 C ATOM 0 H THR A 40 5.391 -4.365 -0.537 1.00 0.00 H new ATOM 0 HA THR A 40 7.134 -2.093 -0.117 1.00 0.00 H new ATOM 0 HB THR A 40 8.564 -3.339 -1.807 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.884 -5.546 -2.213 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.176 -5.145 -0.243 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.900 -3.606 0.606 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.659 -4.881 0.649 1.00 0.00 H new ATOM 549 N PRO A 41 7.153 -0.977 -2.438 1.00 0.00 N ATOM 550 CA PRO A 41 6.926 -0.135 -3.616 1.00 0.00 C ATOM 551 C PRO A 41 7.185 -0.881 -4.921 1.00 0.00 C ATOM 552 O PRO A 41 6.849 -0.396 -6.001 1.00 0.00 O ATOM 553 CB PRO A 41 7.938 1.001 -3.440 1.00 0.00 C ATOM 554 CG PRO A 41 9.020 0.417 -2.599 1.00 0.00 C ATOM 555 CD PRO A 41 8.346 -0.565 -1.681 1.00 0.00 C ATOM 0 HA PRO A 41 5.892 0.203 -3.682 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.323 1.340 -4.401 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.483 1.865 -2.956 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.770 -0.077 -3.216 1.00 0.00 H new ATOM 0 HG3 PRO A 41 9.535 1.192 -2.031 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.992 -1.414 -1.456 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.079 -0.107 -0.729 1.00 0.00 H new ATOM 563 N ALA A 42 7.783 -2.063 -4.813 1.00 0.00 N ATOM 564 CA ALA A 42 8.084 -2.876 -5.984 1.00 0.00 C ATOM 565 C ALA A 42 6.991 -3.912 -6.228 1.00 0.00 C ATOM 566 O ALA A 42 6.576 -4.134 -7.365 1.00 0.00 O ATOM 567 CB ALA A 42 9.434 -3.559 -5.820 1.00 0.00 C ATOM 0 H ALA A 42 8.068 -2.478 -3.926 1.00 0.00 H new ATOM 0 HA ALA A 42 8.125 -2.218 -6.852 1.00 0.00 H new ATOM 0 HB1 ALA A 42 9.646 -4.163 -6.702 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.212 -2.804 -5.702 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.413 -4.200 -4.938 1.00 0.00 H new ATOM 573 N ARG A 43 6.531 -4.544 -5.153 1.00 0.00 N ATOM 574 CA ARG A 43 5.488 -5.558 -5.252 1.00 0.00 C ATOM 575 C ARG A 43 4.173 -4.942 -5.720 1.00 0.00 C ATOM 576 O ARG A 43 3.429 -5.552 -6.488 1.00 0.00 O ATOM 577 CB ARG A 43 5.288 -6.247 -3.901 1.00 0.00 C ATOM 578 CG ARG A 43 4.182 -7.290 -3.907 1.00 0.00 C ATOM 579 CD ARG A 43 3.886 -7.796 -2.504 1.00 0.00 C ATOM 580 NE ARG A 43 5.101 -8.196 -1.798 1.00 0.00 N ATOM 581 CZ ARG A 43 5.125 -9.113 -0.837 1.00 0.00 C ATOM 582 NH1 ARG A 43 4.006 -9.721 -0.469 1.00 0.00 N ATOM 583 NH2 ARG A 43 6.270 -9.422 -0.242 1.00 0.00 N ATOM 0 H ARG A 43 6.864 -4.372 -4.204 1.00 0.00 H new ATOM 0 HA ARG A 43 5.804 -6.298 -5.987 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.223 -6.722 -3.603 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.060 -5.492 -3.148 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.278 -6.861 -4.338 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.472 -8.126 -4.543 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.378 -7.016 -1.937 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.204 -8.644 -2.561 1.00 0.00 H new ATOM 0 HE ARG A 43 5.979 -7.746 -2.057 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.124 -9.485 -0.924 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.027 -10.425 0.269 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.133 -8.955 -0.522 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.288 -10.126 0.496 1.00 0.00 H new ATOM 597 N ALA A 44 3.893 -3.730 -5.252 1.00 0.00 N ATOM 598 CA ALA A 44 2.670 -3.031 -5.624 1.00 0.00 C ATOM 599 C ALA A 44 2.365 -3.210 -7.108 1.00 0.00 C ATOM 600 O ALA A 44 1.209 -3.368 -7.498 1.00 0.00 O ATOM 601 CB ALA A 44 2.781 -1.553 -5.281 1.00 0.00 C ATOM 0 H ALA A 44 4.497 -3.212 -4.614 1.00 0.00 H new ATOM 0 HA ALA A 44 1.847 -3.464 -5.056 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.860 -1.044 -5.565 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.943 -1.439 -4.209 1.00 0.00 H new ATOM 0 HB3 ALA A 44 3.619 -1.116 -5.823 1.00 0.00 H new ATOM 607 N GLU A 45 3.410 -3.182 -7.930 1.00 0.00 N ATOM 608 CA GLU A 45 3.252 -3.340 -9.371 1.00 0.00 C ATOM 609 C GLU A 45 2.375 -4.546 -9.693 1.00 0.00 C ATOM 610 O GLU A 45 1.512 -4.484 -10.570 1.00 0.00 O ATOM 611 CB GLU A 45 4.618 -3.494 -10.042 1.00 0.00 C ATOM 612 CG GLU A 45 5.280 -2.170 -10.385 1.00 0.00 C ATOM 613 CD GLU A 45 4.405 -1.288 -11.254 1.00 0.00 C ATOM 614 OE1 GLU A 45 4.306 -1.563 -12.468 1.00 0.00 O ATOM 615 OE2 GLU A 45 3.819 -0.323 -10.720 1.00 0.00 O ATOM 0 H GLU A 45 4.374 -3.052 -7.623 1.00 0.00 H new ATOM 0 HA GLU A 45 2.765 -2.445 -9.758 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.276 -4.059 -9.382 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.502 -4.079 -10.954 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.522 -1.640 -9.464 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.221 -2.361 -10.900 1.00 0.00 H new ATOM 622 N HIS A 46 2.603 -5.644 -8.979 1.00 0.00 N ATOM 623 CA HIS A 46 1.834 -6.866 -9.188 1.00 0.00 C ATOM 624 C HIS A 46 0.470 -6.772 -8.513 1.00 0.00 C ATOM 625 O HIS A 46 -0.533 -7.247 -9.048 1.00 0.00 O ATOM 626 CB HIS A 46 2.601 -8.074 -8.650 1.00 0.00 C ATOM 627 CG HIS A 46 3.968 -8.228 -9.241 1.00 0.00 C ATOM 628 ND1 HIS A 46 4.189 -8.723 -10.509 1.00 0.00 N ATOM 629 CD2 HIS A 46 5.190 -7.947 -8.730 1.00 0.00 C ATOM 630 CE1 HIS A 46 5.487 -8.742 -10.752 1.00 0.00 C ATOM 631 NE2 HIS A 46 6.117 -8.276 -9.689 1.00 0.00 N ATOM 0 H HIS A 46 3.314 -5.713 -8.251 1.00 0.00 H new ATOM 0 HA HIS A 46 1.681 -6.991 -10.260 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.690 -7.984 -7.567 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.025 -8.978 -8.848 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.397 -7.540 -7.751 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.954 -9.081 -11.665 1.00 0.00 H new ATOM 0 HE2 HIS A 46 7.128 -8.177 -9.595 1.00 0.00 H new ATOM 640 N ILE A 47 0.439 -6.158 -7.335 1.00 0.00 N ATOM 641 CA ILE A 47 -0.803 -6.002 -6.587 1.00 0.00 C ATOM 642 C ILE A 47 -1.765 -5.065 -7.309 1.00 0.00 C ATOM 643 O ILE A 47 -1.460 -3.892 -7.529 1.00 0.00 O ATOM 644 CB ILE A 47 -0.542 -5.459 -5.170 1.00 0.00 C ATOM 645 CG1 ILE A 47 0.377 -6.408 -4.398 1.00 0.00 C ATOM 646 CG2 ILE A 47 -1.855 -5.264 -4.427 1.00 0.00 C ATOM 647 CD1 ILE A 47 0.868 -5.839 -3.085 1.00 0.00 C ATOM 0 H ILE A 47 1.260 -5.760 -6.878 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.252 -6.992 -6.511 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.047 -4.491 -5.253 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.156 -7.339 -4.205 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.236 -6.656 -5.021 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.654 -4.880 -3.427 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.478 -4.554 -4.970 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.375 -6.219 -4.351 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.514 -6.566 -2.592 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.429 -4.923 -3.272 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.015 -5.617 -2.443 1.00 0.00 H new ATOM 659 N LYS A 48 -2.930 -5.589 -7.675 1.00 0.00 N ATOM 660 CA LYS A 48 -3.940 -4.800 -8.370 1.00 0.00 C ATOM 661 C LYS A 48 -4.867 -4.106 -7.376 1.00 0.00 C ATOM 662 O LYS A 48 -5.075 -2.895 -7.450 1.00 0.00 O ATOM 663 CB LYS A 48 -4.757 -5.691 -9.308 1.00 0.00 C ATOM 664 CG LYS A 48 -5.359 -4.944 -10.486 1.00 0.00 C ATOM 665 CD LYS A 48 -6.716 -4.356 -10.138 1.00 0.00 C ATOM 666 CE LYS A 48 -7.725 -5.443 -9.802 1.00 0.00 C ATOM 667 NZ LYS A 48 -9.126 -4.942 -9.876 1.00 0.00 N ATOM 0 H LYS A 48 -3.198 -6.558 -7.502 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.428 -4.037 -8.957 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.118 -6.491 -9.684 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.559 -6.163 -8.740 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.684 -4.146 -10.795 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.461 -5.621 -11.334 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.614 -3.679 -9.290 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.083 -3.764 -10.976 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.601 -6.279 -10.491 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.528 -5.824 -8.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.566 -5.001 -8.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.124 -3.952 -10.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.667 -5.522 -10.549 1.00 0.00 H new ATOM 681 N GLN A 49 -5.418 -4.881 -6.448 1.00 0.00 N ATOM 682 CA GLN A 49 -6.322 -4.340 -5.440 1.00 0.00 C ATOM 683 C GLN A 49 -6.065 -4.980 -4.079 1.00 0.00 C ATOM 684 O GLN A 49 -6.421 -6.136 -3.849 1.00 0.00 O ATOM 685 CB GLN A 49 -7.777 -4.563 -5.856 1.00 0.00 C ATOM 686 CG GLN A 49 -8.322 -3.475 -6.767 1.00 0.00 C ATOM 687 CD GLN A 49 -9.837 -3.426 -6.775 1.00 0.00 C ATOM 688 OE1 GLN A 49 -10.504 -4.461 -6.819 1.00 0.00 O ATOM 689 NE2 GLN A 49 -10.391 -2.220 -6.731 1.00 0.00 N ATOM 0 H GLN A 49 -5.255 -5.885 -6.373 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.136 -3.269 -5.358 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.858 -5.524 -6.363 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.397 -4.621 -4.962 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -7.933 -2.509 -6.446 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.962 -3.642 -7.782 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.801 -1.389 -6.695 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.407 -2.125 -6.733 1.00 0.00 H new ATOM 698 N TYR A 50 -5.446 -4.221 -3.182 1.00 0.00 N ATOM 699 CA TYR A 50 -5.140 -4.715 -1.844 1.00 0.00 C ATOM 700 C TYR A 50 -6.158 -4.207 -0.829 1.00 0.00 C ATOM 701 O TYR A 50 -6.622 -3.069 -0.912 1.00 0.00 O ATOM 702 CB TYR A 50 -3.731 -4.286 -1.430 1.00 0.00 C ATOM 703 CG TYR A 50 -3.449 -4.478 0.043 1.00 0.00 C ATOM 704 CD1 TYR A 50 -3.288 -5.749 0.580 1.00 0.00 C ATOM 705 CD2 TYR A 50 -3.344 -3.388 0.898 1.00 0.00 C ATOM 706 CE1 TYR A 50 -3.031 -5.930 1.925 1.00 0.00 C ATOM 707 CE2 TYR A 50 -3.086 -3.558 2.245 1.00 0.00 C ATOM 708 CZ TYR A 50 -2.930 -4.831 2.753 1.00 0.00 C ATOM 709 OH TYR A 50 -2.674 -5.005 4.094 1.00 0.00 O ATOM 0 H TYR A 50 -5.146 -3.262 -3.356 1.00 0.00 H new ATOM 0 HA TYR A 50 -5.190 -5.804 -1.866 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.002 -4.854 -2.008 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.590 -3.236 -1.685 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.365 -6.611 -0.066 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.466 -2.390 0.503 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -2.910 -6.925 2.326 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.007 -2.700 2.896 1.00 0.00 H new ATOM 0 HH TYR A 50 -1.819 -4.584 4.321 1.00 0.00 H new ATOM 719 N LYS A 51 -6.502 -5.058 0.131 1.00 0.00 N ATOM 720 CA LYS A 51 -7.464 -4.697 1.166 1.00 0.00 C ATOM 721 C LYS A 51 -6.753 -4.193 2.418 1.00 0.00 C ATOM 722 O LYS A 51 -6.354 -4.979 3.277 1.00 0.00 O ATOM 723 CB LYS A 51 -8.343 -5.900 1.516 1.00 0.00 C ATOM 724 CG LYS A 51 -9.322 -5.630 2.646 1.00 0.00 C ATOM 725 CD LYS A 51 -10.278 -6.794 2.845 1.00 0.00 C ATOM 726 CE LYS A 51 -11.534 -6.634 2.002 1.00 0.00 C ATOM 727 NZ LYS A 51 -12.300 -7.907 1.901 1.00 0.00 N ATOM 0 H LYS A 51 -6.129 -6.004 0.214 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.093 -3.895 0.779 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.899 -6.203 0.629 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.704 -6.738 1.793 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -8.772 -5.448 3.569 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.889 -4.725 2.429 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.778 -7.726 2.582 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.552 -6.866 3.898 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.168 -5.862 2.438 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.260 -6.295 1.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.148 -7.756 1.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.704 -8.637 1.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.584 -8.218 2.852 1.00 0.00 H new ATOM 741 N CYS A 52 -6.600 -2.876 2.515 1.00 0.00 N ATOM 742 CA CYS A 52 -5.938 -2.266 3.662 1.00 0.00 C ATOM 743 C CYS A 52 -6.365 -2.944 4.961 1.00 0.00 C ATOM 744 O CYS A 52 -7.447 -3.524 5.061 1.00 0.00 O ATOM 745 CB CYS A 52 -6.257 -0.771 3.726 1.00 0.00 C ATOM 746 SG CYS A 52 -7.863 -0.386 4.496 1.00 0.00 S ATOM 0 H CYS A 52 -6.925 -2.211 1.813 1.00 0.00 H new ATOM 0 HA CYS A 52 -4.863 -2.397 3.541 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -5.468 -0.266 4.283 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -6.244 -0.364 2.715 1.00 0.00 H new ATOM 751 N PRO A 53 -5.496 -2.872 5.980 1.00 0.00 N ATOM 752 CA PRO A 53 -5.761 -3.472 7.291 1.00 0.00 C ATOM 753 C PRO A 53 -6.864 -2.742 8.050 1.00 0.00 C ATOM 754 O PRO A 53 -7.397 -3.254 9.035 1.00 0.00 O ATOM 755 CB PRO A 53 -4.424 -3.331 8.023 1.00 0.00 C ATOM 756 CG PRO A 53 -3.757 -2.169 7.371 1.00 0.00 C ATOM 757 CD PRO A 53 -4.188 -2.197 5.931 1.00 0.00 C ATOM 0 HA PRO A 53 -6.109 -4.502 7.205 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -4.572 -3.156 9.089 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -3.824 -4.236 7.929 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -4.050 -1.233 7.848 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -2.673 -2.244 7.455 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -4.269 -1.192 5.516 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.478 -2.742 5.309 1.00 0.00 H new ATOM 765 N SER A 54 -7.202 -1.543 7.587 1.00 0.00 N ATOM 766 CA SER A 54 -8.239 -0.741 8.225 1.00 0.00 C ATOM 767 C SER A 54 -9.627 -1.235 7.830 1.00 0.00 C ATOM 768 O SER A 54 -10.593 -1.073 8.577 1.00 0.00 O ATOM 769 CB SER A 54 -8.082 0.732 7.843 1.00 0.00 C ATOM 770 OG SER A 54 -6.831 1.240 8.275 1.00 0.00 O ATOM 0 H SER A 54 -6.772 -1.105 6.772 1.00 0.00 H new ATOM 0 HA SER A 54 -8.129 -0.842 9.305 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.169 0.842 6.762 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.888 1.315 8.289 1.00 0.00 H new ATOM 0 HG SER A 54 -6.754 2.182 8.018 1.00 0.00 H new ATOM 776 N CYS A 55 -9.720 -1.838 6.650 1.00 0.00 N ATOM 777 CA CYS A 55 -10.989 -2.356 6.153 1.00 0.00 C ATOM 778 C CYS A 55 -11.163 -3.824 6.532 1.00 0.00 C ATOM 779 O CYS A 55 -12.158 -4.203 7.150 1.00 0.00 O ATOM 780 CB CYS A 55 -11.069 -2.198 4.633 1.00 0.00 C ATOM 781 SG CYS A 55 -11.400 -0.494 4.080 1.00 0.00 S ATOM 0 H CYS A 55 -8.931 -1.980 6.019 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.792 -1.782 6.614 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -10.131 -2.536 4.193 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -11.853 -2.852 4.251 1.00 0.00 H new ATOM 786 N SER A 56 -10.188 -4.646 6.157 1.00 0.00 N ATOM 787 CA SER A 56 -10.234 -6.073 6.454 1.00 0.00 C ATOM 788 C SER A 56 -10.647 -6.313 7.903 1.00 0.00 C ATOM 789 O SER A 56 -11.283 -7.317 8.221 1.00 0.00 O ATOM 790 CB SER A 56 -8.872 -6.716 6.187 1.00 0.00 C ATOM 791 OG SER A 56 -8.058 -6.688 7.347 1.00 0.00 O ATOM 0 H SER A 56 -9.356 -4.348 5.647 1.00 0.00 H new ATOM 0 HA SER A 56 -10.978 -6.531 5.801 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.011 -7.747 5.861 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.371 -6.190 5.375 1.00 0.00 H new ATOM 0 HG SER A 56 -7.194 -7.106 7.150 1.00 0.00 H new ATOM 797 N ASN A 57 -10.279 -5.383 8.779 1.00 0.00 N ATOM 798 CA ASN A 57 -10.609 -5.493 10.195 1.00 0.00 C ATOM 799 C ASN A 57 -11.979 -4.885 10.482 1.00 0.00 C ATOM 800 O ASN A 57 -12.170 -4.204 11.489 1.00 0.00 O ATOM 801 CB ASN A 57 -9.543 -4.798 11.044 1.00 0.00 C ATOM 802 CG ASN A 57 -8.431 -5.741 11.461 1.00 0.00 C ATOM 803 OD1 ASN A 57 -8.552 -6.959 11.326 1.00 0.00 O ATOM 804 ND2 ASN A 57 -7.340 -5.181 11.971 1.00 0.00 N ATOM 0 H ASN A 57 -9.752 -4.545 8.533 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.638 -6.551 10.455 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.119 -3.967 10.481 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.010 -4.375 11.934 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.559 -5.765 12.269 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.283 -4.167 12.064 1.00 0.00 H new ATOM 811 N LYS A 58 -12.931 -5.138 9.590 1.00 0.00 N ATOM 812 CA LYS A 58 -14.285 -4.619 9.747 1.00 0.00 C ATOM 813 C LYS A 58 -15.199 -5.665 10.377 1.00 0.00 C ATOM 814 O LYS A 58 -14.861 -6.848 10.429 1.00 0.00 O ATOM 815 CB LYS A 58 -14.847 -4.185 8.392 1.00 0.00 C ATOM 816 CG LYS A 58 -14.573 -2.729 8.058 1.00 0.00 C ATOM 817 CD LYS A 58 -15.429 -2.253 6.896 1.00 0.00 C ATOM 818 CE LYS A 58 -16.853 -1.953 7.338 1.00 0.00 C ATOM 819 NZ LYS A 58 -17.571 -1.096 6.354 1.00 0.00 N ATOM 0 H LYS A 58 -12.790 -5.700 8.750 1.00 0.00 H new ATOM 0 HA LYS A 58 -14.241 -3.754 10.409 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -14.419 -4.815 7.612 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -15.924 -4.355 8.383 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -14.770 -2.111 8.934 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -13.519 -2.604 7.810 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.986 -1.358 6.460 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.442 -3.015 6.116 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -17.397 -2.888 7.470 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -16.835 -1.455 8.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -18.538 -0.915 6.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -17.066 -0.193 6.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -17.611 -1.581 5.435 1.00 0.00 H new ATOM 833 N SER A 59 -16.358 -5.222 10.853 1.00 0.00 N ATOM 834 CA SER A 59 -17.320 -6.120 11.481 1.00 0.00 C ATOM 835 C SER A 59 -18.747 -5.743 11.097 1.00 0.00 C ATOM 836 O SER A 59 -19.127 -4.574 11.148 1.00 0.00 O ATOM 837 CB SER A 59 -17.164 -6.086 13.003 1.00 0.00 C ATOM 838 OG SER A 59 -18.173 -6.853 13.637 1.00 0.00 O ATOM 0 H SER A 59 -16.654 -4.247 10.816 1.00 0.00 H new ATOM 0 HA SER A 59 -17.121 -7.131 11.125 1.00 0.00 H new ATOM 0 HB2 SER A 59 -16.183 -6.471 13.280 1.00 0.00 H new ATOM 0 HB3 SER A 59 -17.212 -5.055 13.354 1.00 0.00 H new ATOM 0 HG SER A 59 -18.050 -6.816 14.609 1.00 0.00 H new ATOM 844 N GLY A 60 -19.534 -6.743 10.711 1.00 0.00 N ATOM 845 CA GLY A 60 -20.911 -6.497 10.323 1.00 0.00 C ATOM 846 C GLY A 60 -21.485 -7.619 9.482 1.00 0.00 C ATOM 847 O GLY A 60 -20.921 -8.710 9.394 1.00 0.00 O ATOM 0 H GLY A 60 -19.243 -7.719 10.660 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.520 -6.370 11.218 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -20.966 -5.563 9.764 1.00 0.00 H new ATOM 851 N PRO A 61 -22.636 -7.357 8.845 1.00 0.00 N ATOM 852 CA PRO A 61 -23.314 -8.341 7.996 1.00 0.00 C ATOM 853 C PRO A 61 -22.550 -8.618 6.706 1.00 0.00 C ATOM 854 O PRO A 61 -22.187 -7.694 5.978 1.00 0.00 O ATOM 855 CB PRO A 61 -24.659 -7.679 7.689 1.00 0.00 C ATOM 856 CG PRO A 61 -24.402 -6.218 7.824 1.00 0.00 C ATOM 857 CD PRO A 61 -23.365 -6.078 8.904 1.00 0.00 C ATOM 0 HA PRO A 61 -23.403 -9.310 8.487 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -25.003 -7.929 6.686 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -25.431 -8.011 8.383 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -24.046 -5.796 6.884 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -25.315 -5.684 8.088 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -22.705 -5.230 8.720 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -23.821 -5.920 9.881 1.00 0.00 H new ATOM 865 N SER A 62 -22.308 -9.896 6.429 1.00 0.00 N ATOM 866 CA SER A 62 -21.583 -10.294 5.228 1.00 0.00 C ATOM 867 C SER A 62 -22.535 -10.443 4.044 1.00 0.00 C ATOM 868 O SER A 62 -23.650 -10.943 4.190 1.00 0.00 O ATOM 869 CB SER A 62 -20.839 -11.608 5.468 1.00 0.00 C ATOM 870 OG SER A 62 -20.006 -11.522 6.611 1.00 0.00 O ATOM 0 H SER A 62 -22.603 -10.673 7.020 1.00 0.00 H new ATOM 0 HA SER A 62 -20.859 -9.513 4.994 1.00 0.00 H new ATOM 0 HB2 SER A 62 -21.557 -12.418 5.598 1.00 0.00 H new ATOM 0 HB3 SER A 62 -20.237 -11.853 4.593 1.00 0.00 H new ATOM 0 HG SER A 62 -19.543 -12.376 6.743 1.00 0.00 H new ATOM 876 N SER A 63 -22.085 -10.006 2.873 1.00 0.00 N ATOM 877 CA SER A 63 -22.896 -10.087 1.664 1.00 0.00 C ATOM 878 C SER A 63 -22.586 -11.362 0.886 1.00 0.00 C ATOM 879 O SER A 63 -23.477 -12.161 0.602 1.00 0.00 O ATOM 880 CB SER A 63 -22.652 -8.864 0.778 1.00 0.00 C ATOM 881 OG SER A 63 -23.186 -7.691 1.368 1.00 0.00 O ATOM 0 H SER A 63 -21.163 -9.592 2.735 1.00 0.00 H new ATOM 0 HA SER A 63 -23.945 -10.109 1.961 1.00 0.00 H new ATOM 0 HB2 SER A 63 -21.582 -8.737 0.614 1.00 0.00 H new ATOM 0 HB3 SER A 63 -23.107 -9.023 -0.200 1.00 0.00 H new ATOM 0 HG SER A 63 -23.015 -6.924 0.783 1.00 0.00 H new ATOM 887 N GLY A 64 -21.314 -11.546 0.545 1.00 0.00 N ATOM 888 CA GLY A 64 -20.908 -12.725 -0.197 1.00 0.00 C ATOM 889 C GLY A 64 -19.784 -13.479 0.484 1.00 0.00 C ATOM 890 O GLY A 64 -19.666 -14.687 0.285 1.00 0.00 O ATOM 0 H GLY A 64 -20.558 -10.899 0.769 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -21.765 -13.388 -0.318 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -20.590 -12.430 -1.197 1.00 0.00 H new TER 894 GLY A 64 HETATM 895 ZN ZN A 201 1.854 6.076 7.047 1.00 0.00 ZN HETATM 896 ZN ZN A 401 -9.494 0.232 2.956 1.00 0.00 ZN