USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 276 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 29 HIS HE2 : A 29 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 33 HIS HE2 : A 33 HIS NE2 : A 201 ZNZN :(H bumps) 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 USER MOD Single : A 5 SER OG : rot 180:sc= -0.698 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 127:sc= -0.0838 (180deg=-0.56) USER MOD Single : A 11 TYR OH : rot 180:sc= -0.297 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0742 USER MOD Single : A 23 LYS NZ :NH3+ 157:sc=-0.00324 (180deg=-0.666) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 GLN : amide:sc= -0.0698 K(o=-0.07,f=-1.6!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.212 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.087 4.964 -12.875 1.00 0.00 N ATOM 2 CA GLY A 1 -12.169 5.426 -13.899 1.00 0.00 C ATOM 3 C GLY A 1 -10.881 5.976 -13.319 1.00 0.00 C ATOM 4 O GLY A 1 -10.802 7.153 -12.970 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.951 4.598 -13.323 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.637 4.208 -12.321 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.332 5.755 -12.246 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.937 4.602 -14.573 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.654 6.199 -14.495 1.00 0.00 H new ATOM 8 N SER A 2 -9.869 5.121 -13.214 1.00 0.00 N ATOM 9 CA SER A 2 -8.579 5.526 -12.667 1.00 0.00 C ATOM 10 C SER A 2 -7.666 6.061 -13.766 1.00 0.00 C ATOM 11 O SER A 2 -7.556 5.469 -14.839 1.00 0.00 O ATOM 12 CB SER A 2 -7.908 4.347 -11.960 1.00 0.00 C ATOM 13 OG SER A 2 -8.736 3.830 -10.933 1.00 0.00 O ATOM 0 H SER A 2 -9.917 4.143 -13.500 1.00 0.00 H new ATOM 0 HA SER A 2 -8.753 6.323 -11.944 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.688 3.562 -12.684 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.956 4.667 -11.537 1.00 0.00 H new ATOM 0 HG SER A 2 -8.285 3.076 -10.498 1.00 0.00 H new ATOM 19 N SER A 3 -7.014 7.186 -13.489 1.00 0.00 N ATOM 20 CA SER A 3 -6.113 7.804 -14.455 1.00 0.00 C ATOM 21 C SER A 3 -4.724 7.998 -13.855 1.00 0.00 C ATOM 22 O SER A 3 -4.516 8.867 -13.009 1.00 0.00 O ATOM 23 CB SER A 3 -6.674 9.151 -14.917 1.00 0.00 C ATOM 24 OG SER A 3 -7.556 8.986 -16.014 1.00 0.00 O ATOM 0 H SER A 3 -7.093 7.688 -12.604 1.00 0.00 H new ATOM 0 HA SER A 3 -6.029 7.139 -15.314 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.200 9.632 -14.092 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.855 9.812 -15.201 1.00 0.00 H new ATOM 0 HG SER A 3 -7.902 9.860 -16.290 1.00 0.00 H new ATOM 30 N GLY A 4 -3.775 7.181 -14.301 1.00 0.00 N ATOM 31 CA GLY A 4 -2.417 7.277 -13.798 1.00 0.00 C ATOM 32 C GLY A 4 -2.282 6.744 -12.386 1.00 0.00 C ATOM 33 O GLY A 4 -1.680 7.387 -11.527 1.00 0.00 O ATOM 0 H GLY A 4 -3.922 6.454 -15.002 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.749 6.723 -14.457 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.097 8.319 -13.822 1.00 0.00 H new ATOM 37 N SER A 5 -2.846 5.565 -12.144 1.00 0.00 N ATOM 38 CA SER A 5 -2.791 4.947 -10.824 1.00 0.00 C ATOM 39 C SER A 5 -1.360 4.555 -10.467 1.00 0.00 C ATOM 40 O SER A 5 -0.889 4.822 -9.362 1.00 0.00 O ATOM 41 CB SER A 5 -3.697 3.715 -10.776 1.00 0.00 C ATOM 42 OG SER A 5 -5.029 4.074 -10.453 1.00 0.00 O ATOM 0 H SER A 5 -3.346 5.018 -12.845 1.00 0.00 H new ATOM 0 HA SER A 5 -3.142 5.676 -10.094 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.677 3.208 -11.740 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.318 3.009 -10.037 1.00 0.00 H new ATOM 0 HG SER A 5 -5.588 3.270 -10.430 1.00 0.00 H new ATOM 48 N SER A 6 -0.675 3.919 -11.411 1.00 0.00 N ATOM 49 CA SER A 6 0.701 3.486 -11.197 1.00 0.00 C ATOM 50 C SER A 6 1.522 4.591 -10.540 1.00 0.00 C ATOM 51 O SER A 6 2.021 5.493 -11.212 1.00 0.00 O ATOM 52 CB SER A 6 1.343 3.078 -12.524 1.00 0.00 C ATOM 53 OG SER A 6 2.726 2.815 -12.362 1.00 0.00 O ATOM 0 H SER A 6 -1.050 3.692 -12.332 1.00 0.00 H new ATOM 0 HA SER A 6 0.685 2.624 -10.530 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.844 2.191 -12.915 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.204 3.872 -13.258 1.00 0.00 H new ATOM 0 HG SER A 6 3.113 2.555 -13.224 1.00 0.00 H new ATOM 59 N GLY A 7 1.659 4.513 -9.219 1.00 0.00 N ATOM 60 CA GLY A 7 2.420 5.513 -8.492 1.00 0.00 C ATOM 61 C GLY A 7 3.796 5.017 -8.095 1.00 0.00 C ATOM 62 O GLY A 7 4.133 3.855 -8.320 1.00 0.00 O ATOM 0 H GLY A 7 1.257 3.776 -8.640 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.523 6.406 -9.108 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.870 5.805 -7.597 1.00 0.00 H new ATOM 66 N GLU A 8 4.594 5.901 -7.505 1.00 0.00 N ATOM 67 CA GLU A 8 5.943 5.547 -7.078 1.00 0.00 C ATOM 68 C GLU A 8 6.083 5.663 -5.563 1.00 0.00 C ATOM 69 O GLU A 8 7.077 6.184 -5.058 1.00 0.00 O ATOM 70 CB GLU A 8 6.972 6.446 -7.767 1.00 0.00 C ATOM 71 CG GLU A 8 7.314 6.007 -9.181 1.00 0.00 C ATOM 72 CD GLU A 8 8.650 6.547 -9.653 1.00 0.00 C ATOM 73 OE1 GLU A 8 9.566 6.679 -8.815 1.00 0.00 O ATOM 74 OE2 GLU A 8 8.779 6.836 -10.861 1.00 0.00 O ATOM 0 H GLU A 8 4.330 6.867 -7.312 1.00 0.00 H new ATOM 0 HA GLU A 8 6.127 4.511 -7.364 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.590 7.466 -7.795 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.884 6.463 -7.170 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.331 4.918 -9.225 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.530 6.342 -9.861 1.00 0.00 H new ATOM 81 N LYS A 9 5.079 5.175 -4.843 1.00 0.00 N ATOM 82 CA LYS A 9 5.088 5.222 -3.386 1.00 0.00 C ATOM 83 C LYS A 9 5.827 4.020 -2.807 1.00 0.00 C ATOM 84 O LYS A 9 5.761 2.909 -3.332 1.00 0.00 O ATOM 85 CB LYS A 9 3.656 5.262 -2.847 1.00 0.00 C ATOM 86 CG LYS A 9 3.043 6.651 -2.849 1.00 0.00 C ATOM 87 CD LYS A 9 2.773 7.140 -4.261 1.00 0.00 C ATOM 88 CE LYS A 9 1.521 6.501 -4.843 1.00 0.00 C ATOM 89 NZ LYS A 9 0.301 6.867 -4.071 1.00 0.00 N ATOM 0 H LYS A 9 4.248 4.742 -5.245 1.00 0.00 H new ATOM 0 HA LYS A 9 5.610 6.129 -3.080 1.00 0.00 H new ATOM 0 HB2 LYS A 9 3.033 4.598 -3.446 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.649 4.873 -1.829 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.112 6.639 -2.283 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.714 7.346 -2.344 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.661 8.224 -4.256 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.629 6.911 -4.896 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.402 6.814 -5.880 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.636 5.417 -4.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.417 7.251 -4.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.077 6.022 -3.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.544 7.584 -3.358 1.00 0.00 H new ATOM 103 N PRO A 10 6.548 4.246 -1.698 1.00 0.00 N ATOM 104 CA PRO A 10 7.312 3.192 -1.023 1.00 0.00 C ATOM 105 C PRO A 10 6.410 2.165 -0.346 1.00 0.00 C ATOM 106 O PRO A 10 6.569 0.960 -0.542 1.00 0.00 O ATOM 107 CB PRO A 10 8.126 3.959 0.022 1.00 0.00 C ATOM 108 CG PRO A 10 7.338 5.196 0.284 1.00 0.00 C ATOM 109 CD PRO A 10 6.672 5.546 -1.018 1.00 0.00 C ATOM 0 HA PRO A 10 7.921 2.619 -1.722 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.255 3.372 0.931 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.123 4.196 -0.349 1.00 0.00 H new ATOM 0 HG2 PRO A 10 6.599 5.029 1.068 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.984 6.006 0.622 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.699 6.011 -0.859 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.270 6.248 -1.599 1.00 0.00 H new ATOM 117 N TYR A 11 5.463 2.650 0.449 1.00 0.00 N ATOM 118 CA TYR A 11 4.536 1.773 1.156 1.00 0.00 C ATOM 119 C TYR A 11 3.533 1.149 0.191 1.00 0.00 C ATOM 120 O TYR A 11 2.908 1.845 -0.610 1.00 0.00 O ATOM 121 CB TYR A 11 3.797 2.550 2.246 1.00 0.00 C ATOM 122 CG TYR A 11 4.708 3.383 3.120 1.00 0.00 C ATOM 123 CD1 TYR A 11 5.029 4.690 2.776 1.00 0.00 C ATOM 124 CD2 TYR A 11 5.248 2.862 4.290 1.00 0.00 C ATOM 125 CE1 TYR A 11 5.861 5.454 3.571 1.00 0.00 C ATOM 126 CE2 TYR A 11 6.080 3.619 5.092 1.00 0.00 C ATOM 127 CZ TYR A 11 6.384 4.914 4.728 1.00 0.00 C ATOM 128 OH TYR A 11 7.213 5.672 5.523 1.00 0.00 O ATOM 0 H TYR A 11 5.317 3.645 0.620 1.00 0.00 H new ATOM 0 HA TYR A 11 5.114 0.973 1.618 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.059 3.203 1.779 1.00 0.00 H new ATOM 0 HB3 TYR A 11 3.249 1.847 2.873 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.621 5.116 1.871 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.013 1.848 4.577 1.00 0.00 H new ATOM 0 HE1 TYR A 11 6.101 6.468 3.289 1.00 0.00 H new ATOM 0 HE2 TYR A 11 6.490 3.199 5.999 1.00 0.00 H new ATOM 0 HH TYR A 11 7.494 5.144 6.300 1.00 0.00 H new ATOM 138 N VAL A 12 3.383 -0.169 0.275 1.00 0.00 N ATOM 139 CA VAL A 12 2.454 -0.889 -0.589 1.00 0.00 C ATOM 140 C VAL A 12 1.726 -1.985 0.180 1.00 0.00 C ATOM 141 O VAL A 12 2.344 -2.930 0.671 1.00 0.00 O ATOM 142 CB VAL A 12 3.180 -1.517 -1.794 1.00 0.00 C ATOM 143 CG1 VAL A 12 2.232 -2.407 -2.583 1.00 0.00 C ATOM 144 CG2 VAL A 12 3.772 -0.434 -2.682 1.00 0.00 C ATOM 0 H VAL A 12 3.892 -0.760 0.932 1.00 0.00 H new ATOM 0 HA VAL A 12 1.729 -0.160 -0.951 1.00 0.00 H new ATOM 0 HB VAL A 12 3.997 -2.136 -1.423 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.762 -2.842 -3.430 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.861 -3.204 -1.939 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.393 -1.813 -2.946 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.281 -0.895 -3.528 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.975 0.213 -3.047 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.485 0.158 -2.108 1.00 0.00 H new ATOM 154 N CYS A 13 0.407 -1.854 0.281 1.00 0.00 N ATOM 155 CA CYS A 13 -0.407 -2.833 0.990 1.00 0.00 C ATOM 156 C CYS A 13 -0.155 -4.240 0.456 1.00 0.00 C ATOM 157 O CYS A 13 0.362 -4.413 -0.648 1.00 0.00 O ATOM 158 CB CYS A 13 -1.891 -2.484 0.859 1.00 0.00 C ATOM 159 SG CYS A 13 -3.017 -3.807 1.406 1.00 0.00 S ATOM 0 H CYS A 13 -0.121 -1.078 -0.120 1.00 0.00 H new ATOM 0 HA CYS A 13 -0.126 -2.808 2.043 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -2.094 -1.585 1.441 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -2.107 -2.246 -0.183 1.00 0.00 H new ATOM 164 N SER A 14 -0.524 -5.243 1.247 1.00 0.00 N ATOM 165 CA SER A 14 -0.334 -6.634 0.855 1.00 0.00 C ATOM 166 C SER A 14 -1.670 -7.290 0.516 1.00 0.00 C ATOM 167 O SER A 14 -1.750 -8.134 -0.376 1.00 0.00 O ATOM 168 CB SER A 14 0.358 -7.412 1.977 1.00 0.00 C ATOM 169 OG SER A 14 0.552 -8.768 1.613 1.00 0.00 O ATOM 0 H SER A 14 -0.956 -5.118 2.163 1.00 0.00 H new ATOM 0 HA SER A 14 0.297 -6.653 -0.034 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.320 -6.952 2.203 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.243 -7.358 2.885 1.00 0.00 H new ATOM 0 HG SER A 14 0.997 -9.243 2.346 1.00 0.00 H new ATOM 175 N ASP A 15 -2.715 -6.894 1.233 1.00 0.00 N ATOM 176 CA ASP A 15 -4.048 -7.441 1.009 1.00 0.00 C ATOM 177 C ASP A 15 -4.502 -7.192 -0.426 1.00 0.00 C ATOM 178 O ASP A 15 -4.766 -8.132 -1.177 1.00 0.00 O ATOM 179 CB ASP A 15 -5.048 -6.823 1.988 1.00 0.00 C ATOM 180 CG ASP A 15 -4.978 -7.456 3.363 1.00 0.00 C ATOM 181 OD1 ASP A 15 -4.188 -6.972 4.201 1.00 0.00 O ATOM 182 OD2 ASP A 15 -5.714 -8.436 3.603 1.00 0.00 O ATOM 0 H ASP A 15 -2.665 -6.196 1.975 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.006 -8.517 1.177 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.855 -5.754 2.073 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.057 -6.934 1.591 1.00 0.00 H new ATOM 187 N CYS A 16 -4.594 -5.921 -0.801 1.00 0.00 N ATOM 188 CA CYS A 16 -5.018 -5.548 -2.145 1.00 0.00 C ATOM 189 C CYS A 16 -3.812 -5.267 -3.037 1.00 0.00 C ATOM 190 O CYS A 16 -3.754 -5.719 -4.180 1.00 0.00 O ATOM 191 CB CYS A 16 -5.925 -4.317 -2.093 1.00 0.00 C ATOM 192 SG CYS A 16 -5.121 -2.829 -1.414 1.00 0.00 S ATOM 0 H CYS A 16 -4.380 -5.131 -0.192 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.575 -6.384 -2.569 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.280 -4.098 -3.100 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -6.802 -4.550 -1.490 1.00 0.00 H new ATOM 197 N GLY A 17 -2.851 -4.518 -2.506 1.00 0.00 N ATOM 198 CA GLY A 17 -1.660 -4.190 -3.268 1.00 0.00 C ATOM 199 C GLY A 17 -1.616 -2.731 -3.676 1.00 0.00 C ATOM 200 O GLY A 17 -1.006 -2.379 -4.686 1.00 0.00 O ATOM 0 H GLY A 17 -2.876 -4.132 -1.562 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.777 -4.425 -2.674 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.620 -4.815 -4.160 1.00 0.00 H new ATOM 204 N LYS A 18 -2.266 -1.879 -2.890 1.00 0.00 N ATOM 205 CA LYS A 18 -2.300 -0.449 -3.175 1.00 0.00 C ATOM 206 C LYS A 18 -0.989 0.218 -2.768 1.00 0.00 C ATOM 207 O LYS A 18 -0.092 -0.431 -2.232 1.00 0.00 O ATOM 208 CB LYS A 18 -3.469 0.210 -2.440 1.00 0.00 C ATOM 209 CG LYS A 18 -4.753 0.248 -3.250 1.00 0.00 C ATOM 210 CD LYS A 18 -5.978 0.312 -2.353 1.00 0.00 C ATOM 211 CE LYS A 18 -7.230 -0.148 -3.084 1.00 0.00 C ATOM 212 NZ LYS A 18 -8.453 0.029 -2.254 1.00 0.00 N ATOM 0 H LYS A 18 -2.776 -2.154 -2.051 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.435 -0.321 -4.249 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.652 -0.328 -1.510 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.190 1.228 -2.170 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.741 1.114 -3.912 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.811 -0.637 -3.883 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.819 -0.312 -1.474 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.117 1.333 -1.998 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -7.336 0.414 -4.012 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -7.126 -1.198 -3.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.285 -0.296 -2.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -8.363 -0.528 -1.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.567 1.034 -2.014 1.00 0.00 H new ATOM 226 N ALA A 19 -0.887 1.518 -3.026 1.00 0.00 N ATOM 227 CA ALA A 19 0.312 2.273 -2.684 1.00 0.00 C ATOM 228 C ALA A 19 -0.035 3.515 -1.871 1.00 0.00 C ATOM 229 O ALA A 19 -1.090 4.120 -2.063 1.00 0.00 O ATOM 230 CB ALA A 19 1.070 2.659 -3.945 1.00 0.00 C ATOM 0 H ALA A 19 -1.620 2.070 -3.471 1.00 0.00 H new ATOM 0 HA ALA A 19 0.950 1.637 -2.071 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.963 3.222 -3.675 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.359 1.758 -4.486 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.432 3.274 -4.579 1.00 0.00 H new ATOM 236 N PHE A 20 0.858 3.891 -0.962 1.00 0.00 N ATOM 237 CA PHE A 20 0.645 5.061 -0.119 1.00 0.00 C ATOM 238 C PHE A 20 1.956 5.807 0.118 1.00 0.00 C ATOM 239 O PHE A 20 2.990 5.197 0.392 1.00 0.00 O ATOM 240 CB PHE A 20 0.033 4.646 1.221 1.00 0.00 C ATOM 241 CG PHE A 20 -1.271 3.913 1.082 1.00 0.00 C ATOM 242 CD1 PHE A 20 -1.292 2.541 0.890 1.00 0.00 C ATOM 243 CD2 PHE A 20 -2.475 4.596 1.144 1.00 0.00 C ATOM 244 CE1 PHE A 20 -2.491 1.864 0.761 1.00 0.00 C ATOM 245 CE2 PHE A 20 -3.676 3.925 1.016 1.00 0.00 C ATOM 246 CZ PHE A 20 -3.684 2.557 0.826 1.00 0.00 C ATOM 0 H PHE A 20 1.737 3.402 -0.790 1.00 0.00 H new ATOM 0 HA PHE A 20 -0.045 5.729 -0.635 1.00 0.00 H new ATOM 0 HB2 PHE A 20 0.742 4.013 1.755 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.122 5.535 1.832 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.362 1.994 0.841 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -2.475 5.666 1.294 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.494 0.795 0.610 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.607 4.470 1.064 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.622 2.030 0.728 1.00 0.00 H new ATOM 256 N THR A 21 1.904 7.131 0.010 1.00 0.00 N ATOM 257 CA THR A 21 3.086 7.960 0.210 1.00 0.00 C ATOM 258 C THR A 21 3.487 8.000 1.680 1.00 0.00 C ATOM 259 O THR A 21 4.667 7.888 2.015 1.00 0.00 O ATOM 260 CB THR A 21 2.851 9.400 -0.286 1.00 0.00 C ATOM 261 OG1 THR A 21 2.427 9.384 -1.653 1.00 0.00 O ATOM 262 CG2 THR A 21 4.118 10.231 -0.152 1.00 0.00 C ATOM 0 H THR A 21 1.056 7.652 -0.215 1.00 0.00 H new ATOM 0 HA THR A 21 3.891 7.510 -0.371 1.00 0.00 H new ATOM 0 HB THR A 21 2.073 9.851 0.330 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.278 10.303 -1.960 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.928 11.244 -0.508 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.422 10.265 0.894 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.913 9.780 -0.746 1.00 0.00 H new ATOM 270 N PHE A 22 2.499 8.159 2.554 1.00 0.00 N ATOM 271 CA PHE A 22 2.750 8.213 3.990 1.00 0.00 C ATOM 272 C PHE A 22 2.562 6.840 4.627 1.00 0.00 C ATOM 273 O PHE A 22 1.714 6.056 4.202 1.00 0.00 O ATOM 274 CB PHE A 22 1.818 9.228 4.654 1.00 0.00 C ATOM 275 CG PHE A 22 1.945 10.616 4.093 1.00 0.00 C ATOM 276 CD1 PHE A 22 3.147 11.301 4.172 1.00 0.00 C ATOM 277 CD2 PHE A 22 0.864 11.236 3.489 1.00 0.00 C ATOM 278 CE1 PHE A 22 3.268 12.578 3.657 1.00 0.00 C ATOM 279 CE2 PHE A 22 0.979 12.512 2.972 1.00 0.00 C ATOM 280 CZ PHE A 22 2.182 13.185 3.057 1.00 0.00 C ATOM 0 H PHE A 22 1.517 8.253 2.294 1.00 0.00 H new ATOM 0 HA PHE A 22 3.783 8.526 4.141 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.787 8.892 4.540 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.028 9.256 5.723 1.00 0.00 H new ATOM 0 HD1 PHE A 22 3.999 10.832 4.641 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.080 10.716 3.421 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.211 13.101 3.724 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.129 12.983 2.502 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.273 14.183 2.655 1.00 0.00 H new ATOM 290 N LYS A 23 3.360 6.555 5.651 1.00 0.00 N ATOM 291 CA LYS A 23 3.283 5.278 6.349 1.00 0.00 C ATOM 292 C LYS A 23 1.938 5.121 7.051 1.00 0.00 C ATOM 293 O LYS A 23 1.273 4.094 6.917 1.00 0.00 O ATOM 294 CB LYS A 23 4.419 5.161 7.369 1.00 0.00 C ATOM 295 CG LYS A 23 4.472 3.814 8.068 1.00 0.00 C ATOM 296 CD LYS A 23 5.815 3.588 8.741 1.00 0.00 C ATOM 297 CE LYS A 23 5.892 4.300 10.084 1.00 0.00 C ATOM 298 NZ LYS A 23 5.075 3.615 11.123 1.00 0.00 N ATOM 0 H LYS A 23 4.068 7.192 6.016 1.00 0.00 H new ATOM 0 HA LYS A 23 3.382 4.483 5.610 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.369 5.337 6.864 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.306 5.945 8.118 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.677 3.757 8.812 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.288 3.020 7.344 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.976 2.520 8.885 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.614 3.946 8.092 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.931 4.346 10.411 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.547 5.328 9.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.435 3.863 12.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.083 3.918 11.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.135 2.585 10.989 1.00 0.00 H new ATOM 312 N SER A 24 1.542 6.147 7.798 1.00 0.00 N ATOM 313 CA SER A 24 0.277 6.122 8.522 1.00 0.00 C ATOM 314 C SER A 24 -0.883 5.817 7.579 1.00 0.00 C ATOM 315 O SER A 24 -1.779 5.043 7.912 1.00 0.00 O ATOM 316 CB SER A 24 0.040 7.461 9.224 1.00 0.00 C ATOM 317 OG SER A 24 -1.053 7.380 10.121 1.00 0.00 O ATOM 0 H SER A 24 2.079 7.006 7.917 1.00 0.00 H new ATOM 0 HA SER A 24 0.331 5.332 9.271 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.939 7.755 9.766 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.152 8.236 8.481 1.00 0.00 H new ATOM 0 HG SER A 24 -1.183 8.248 10.558 1.00 0.00 H new ATOM 323 N GLN A 25 -0.857 6.432 6.401 1.00 0.00 N ATOM 324 CA GLN A 25 -1.907 6.228 5.410 1.00 0.00 C ATOM 325 C GLN A 25 -2.158 4.740 5.183 1.00 0.00 C ATOM 326 O GLN A 25 -3.302 4.284 5.200 1.00 0.00 O ATOM 327 CB GLN A 25 -1.529 6.901 4.090 1.00 0.00 C ATOM 328 CG GLN A 25 -1.918 8.369 4.022 1.00 0.00 C ATOM 329 CD GLN A 25 -3.379 8.569 3.669 1.00 0.00 C ATOM 330 OE1 GLN A 25 -3.758 8.526 2.498 1.00 0.00 O ATOM 331 NE2 GLN A 25 -4.208 8.789 4.682 1.00 0.00 N ATOM 0 H GLN A 25 -0.121 7.075 6.110 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.824 6.679 5.790 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.453 6.812 3.941 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.009 6.368 3.269 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.712 8.840 4.983 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.297 8.872 3.281 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.850 8.816 5.637 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -5.203 8.931 4.506 1.00 0.00 H new ATOM 340 N LEU A 26 -1.083 3.990 4.969 1.00 0.00 N ATOM 341 CA LEU A 26 -1.186 2.553 4.737 1.00 0.00 C ATOM 342 C LEU A 26 -1.713 1.839 5.977 1.00 0.00 C ATOM 343 O LEU A 26 -2.710 1.118 5.914 1.00 0.00 O ATOM 344 CB LEU A 26 0.177 1.981 4.345 1.00 0.00 C ATOM 345 CG LEU A 26 0.249 0.460 4.199 1.00 0.00 C ATOM 346 CD1 LEU A 26 -0.723 -0.021 3.133 1.00 0.00 C ATOM 347 CD2 LEU A 26 1.668 0.023 3.866 1.00 0.00 C ATOM 0 H LEU A 26 -0.130 4.353 4.951 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.889 2.390 3.920 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.480 2.432 3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.907 2.289 5.093 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.035 0.009 5.150 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.657 -1.105 3.043 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.738 0.259 3.413 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.471 0.438 2.177 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.701 -1.062 3.766 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.980 0.484 2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.341 0.334 4.665 1.00 0.00 H new ATOM 359 N ILE A 27 -1.039 2.045 7.104 1.00 0.00 N ATOM 360 CA ILE A 27 -1.442 1.422 8.359 1.00 0.00 C ATOM 361 C ILE A 27 -2.951 1.516 8.560 1.00 0.00 C ATOM 362 O ILE A 27 -3.602 0.536 8.920 1.00 0.00 O ATOM 363 CB ILE A 27 -0.733 2.072 9.562 1.00 0.00 C ATOM 364 CG1 ILE A 27 0.771 1.798 9.505 1.00 0.00 C ATOM 365 CG2 ILE A 27 -1.322 1.555 10.866 1.00 0.00 C ATOM 366 CD1 ILE A 27 1.588 2.730 10.371 1.00 0.00 C ATOM 0 H ILE A 27 -0.212 2.638 7.174 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.151 0.373 8.299 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.888 3.150 9.518 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.957 0.770 9.816 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.109 1.885 8.472 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.811 2.023 11.707 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.384 1.797 10.907 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.194 0.474 10.920 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.645 2.478 10.281 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.432 3.759 10.046 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.277 2.627 11.411 1.00 0.00 H new ATOM 378 N VAL A 28 -3.501 2.703 8.324 1.00 0.00 N ATOM 379 CA VAL A 28 -4.934 2.926 8.476 1.00 0.00 C ATOM 380 C VAL A 28 -5.719 2.215 7.380 1.00 0.00 C ATOM 381 O VAL A 28 -6.810 1.696 7.620 1.00 0.00 O ATOM 382 CB VAL A 28 -5.275 4.427 8.446 1.00 0.00 C ATOM 383 CG1 VAL A 28 -6.776 4.636 8.575 1.00 0.00 C ATOM 384 CG2 VAL A 28 -4.528 5.165 9.547 1.00 0.00 C ATOM 0 H VAL A 28 -2.976 3.525 8.027 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.217 2.517 9.446 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.957 4.835 7.487 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.998 5.703 8.552 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.285 4.141 7.748 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.122 4.214 9.518 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.781 6.225 9.511 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.813 4.757 10.517 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.454 5.043 9.403 1.00 0.00 H new ATOM 394 N HIS A 29 -5.158 2.194 6.175 1.00 0.00 N ATOM 395 CA HIS A 29 -5.806 1.546 5.041 1.00 0.00 C ATOM 396 C HIS A 29 -5.930 0.043 5.272 1.00 0.00 C ATOM 397 O HIS A 29 -7.032 -0.504 5.278 1.00 0.00 O ATOM 398 CB HIS A 29 -5.020 1.813 3.756 1.00 0.00 C ATOM 399 CG HIS A 29 -5.268 0.800 2.681 1.00 0.00 C ATOM 400 ND1 HIS A 29 -6.335 0.873 1.811 1.00 0.00 N ATOM 401 CD2 HIS A 29 -4.579 -0.313 2.337 1.00 0.00 C ATOM 402 CE1 HIS A 29 -6.292 -0.153 0.979 1.00 0.00 C ATOM 403 NE2 HIS A 29 -5.235 -0.887 1.277 1.00 0.00 N ATOM 0 H HIS A 29 -4.256 2.618 5.959 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.807 1.964 4.939 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -5.281 2.802 3.379 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -3.955 1.831 3.988 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -7.046 1.604 1.810 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -3.680 -0.681 2.809 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -7.001 -0.357 0.190 1.00 0.00 H new ATOM 411 N GLN A 30 -4.792 -0.618 5.461 1.00 0.00 N ATOM 412 CA GLN A 30 -4.774 -2.057 5.692 1.00 0.00 C ATOM 413 C GLN A 30 -5.974 -2.490 6.528 1.00 0.00 C ATOM 414 O GLN A 30 -6.456 -3.615 6.405 1.00 0.00 O ATOM 415 CB GLN A 30 -3.476 -2.467 6.389 1.00 0.00 C ATOM 416 CG GLN A 30 -2.241 -2.312 5.517 1.00 0.00 C ATOM 417 CD GLN A 30 -1.031 -3.025 6.087 1.00 0.00 C ATOM 418 OE1 GLN A 30 -1.137 -3.774 7.059 1.00 0.00 O ATOM 419 NE2 GLN A 30 0.130 -2.795 5.485 1.00 0.00 N ATOM 0 H GLN A 30 -3.871 -0.180 5.459 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.831 -2.555 4.724 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -3.352 -1.866 7.290 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.557 -3.506 6.708 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -2.452 -2.702 4.522 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.013 -1.252 5.402 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.173 -2.167 4.682 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.979 -3.246 5.825 1.00 0.00 H new ATOM 428 N GLY A 31 -6.451 -1.588 7.381 1.00 0.00 N ATOM 429 CA GLY A 31 -7.590 -1.895 8.226 1.00 0.00 C ATOM 430 C GLY A 31 -8.810 -2.309 7.427 1.00 0.00 C ATOM 431 O GLY A 31 -9.463 -3.302 7.749 1.00 0.00 O ATOM 0 H GLY A 31 -6.069 -0.650 7.502 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.322 -2.696 8.915 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.835 -1.022 8.831 1.00 0.00 H new ATOM 435 N ILE A 32 -9.118 -1.547 6.382 1.00 0.00 N ATOM 436 CA ILE A 32 -10.267 -1.841 5.536 1.00 0.00 C ATOM 437 C ILE A 32 -10.400 -3.340 5.289 1.00 0.00 C ATOM 438 O ILE A 32 -11.490 -3.840 5.007 1.00 0.00 O ATOM 439 CB ILE A 32 -10.169 -1.116 4.181 1.00 0.00 C ATOM 440 CG1 ILE A 32 -9.051 -1.726 3.332 1.00 0.00 C ATOM 441 CG2 ILE A 32 -9.929 0.371 4.392 1.00 0.00 C ATOM 442 CD1 ILE A 32 -9.314 -1.653 1.844 1.00 0.00 C ATOM 0 H ILE A 32 -8.588 -0.722 6.102 1.00 0.00 H new ATOM 0 HA ILE A 32 -11.149 -1.483 6.068 1.00 0.00 H new ATOM 0 HB ILE A 32 -11.113 -1.240 3.650 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.116 -1.211 3.553 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -8.916 -2.769 3.618 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -9.862 0.870 3.425 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.755 0.795 4.963 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.998 0.515 4.940 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -8.481 -2.104 1.305 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -10.232 -2.192 1.610 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -9.419 -0.610 1.544 1.00 0.00 H new ATOM 454 N HIS A 33 -9.284 -4.053 5.399 1.00 0.00 N ATOM 455 CA HIS A 33 -9.275 -5.497 5.191 1.00 0.00 C ATOM 456 C HIS A 33 -9.591 -6.235 6.488 1.00 0.00 C ATOM 457 O HIS A 33 -10.387 -7.175 6.503 1.00 0.00 O ATOM 458 CB HIS A 33 -7.917 -5.948 4.652 1.00 0.00 C ATOM 459 CG HIS A 33 -7.549 -5.310 3.348 1.00 0.00 C ATOM 460 ND1 HIS A 33 -8.227 -5.554 2.172 1.00 0.00 N ATOM 461 CD2 HIS A 33 -6.567 -4.431 3.038 1.00 0.00 C ATOM 462 CE1 HIS A 33 -7.677 -4.854 1.196 1.00 0.00 C ATOM 463 NE2 HIS A 33 -6.668 -4.164 1.695 1.00 0.00 N ATOM 0 H HIS A 33 -8.374 -3.655 5.631 1.00 0.00 H new ATOM 0 HA HIS A 33 -10.046 -5.738 4.459 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -7.148 -5.718 5.389 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -7.926 -7.031 4.528 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -9.028 -6.178 2.072 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -5.839 -4.017 3.720 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -7.998 -4.847 0.165 1.00 0.00 H new ATOM 471 N THR A 34 -8.963 -5.804 7.577 1.00 0.00 N ATOM 472 CA THR A 34 -9.175 -6.425 8.879 1.00 0.00 C ATOM 473 C THR A 34 -10.391 -5.830 9.579 1.00 0.00 C ATOM 474 O THR A 34 -11.104 -5.004 9.012 1.00 0.00 O ATOM 475 CB THR A 34 -7.942 -6.261 9.787 1.00 0.00 C ATOM 476 OG1 THR A 34 -7.619 -4.873 9.929 1.00 0.00 O ATOM 477 CG2 THR A 34 -6.747 -7.010 9.217 1.00 0.00 C ATOM 0 H THR A 34 -8.303 -5.027 7.583 1.00 0.00 H new ATOM 0 HA THR A 34 -9.345 -7.487 8.700 1.00 0.00 H new ATOM 0 HB THR A 34 -8.180 -6.680 10.765 1.00 0.00 H new ATOM 0 HG1 THR A 34 -6.835 -4.777 10.509 1.00 0.00 H new ATOM 0 HG21 THR A 34 -5.888 -6.880 9.875 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.986 -8.071 9.138 1.00 0.00 H new ATOM 0 HG23 THR A 34 -6.509 -6.617 8.228 1.00 0.00 H new ATOM 485 N GLY A 35 -10.622 -6.256 10.818 1.00 0.00 N ATOM 486 CA GLY A 35 -11.753 -5.754 11.576 1.00 0.00 C ATOM 487 C GLY A 35 -13.001 -6.590 11.377 1.00 0.00 C ATOM 488 O GLY A 35 -13.017 -7.780 11.691 1.00 0.00 O ATOM 0 H GLY A 35 -10.046 -6.939 11.310 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.497 -5.735 12.635 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.957 -4.725 11.279 1.00 0.00 H new ATOM 492 N VAL A 36 -14.052 -5.966 10.854 1.00 0.00 N ATOM 493 CA VAL A 36 -15.312 -6.660 10.614 1.00 0.00 C ATOM 494 C VAL A 36 -15.123 -7.821 9.645 1.00 0.00 C ATOM 495 O VAL A 36 -14.804 -7.620 8.473 1.00 0.00 O ATOM 496 CB VAL A 36 -16.381 -5.704 10.052 1.00 0.00 C ATOM 497 CG1 VAL A 36 -17.671 -6.456 9.764 1.00 0.00 C ATOM 498 CG2 VAL A 36 -16.628 -4.555 11.017 1.00 0.00 C ATOM 0 H VAL A 36 -14.056 -4.981 10.588 1.00 0.00 H new ATOM 0 HA VAL A 36 -15.650 -7.045 11.576 1.00 0.00 H new ATOM 0 HB VAL A 36 -16.014 -5.288 9.114 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -18.415 -5.764 9.368 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -17.479 -7.241 9.032 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -18.045 -6.902 10.685 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -17.386 -3.889 10.604 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -16.974 -4.950 11.972 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -15.702 -4.001 11.167 1.00 0.00 H new ATOM 508 N SER A 37 -15.323 -9.038 10.141 1.00 0.00 N ATOM 509 CA SER A 37 -15.172 -10.233 9.319 1.00 0.00 C ATOM 510 C SER A 37 -16.497 -10.614 8.666 1.00 0.00 C ATOM 511 O SER A 37 -17.297 -11.350 9.242 1.00 0.00 O ATOM 512 CB SER A 37 -14.654 -11.397 10.166 1.00 0.00 C ATOM 513 OG SER A 37 -14.437 -12.550 9.370 1.00 0.00 O ATOM 0 H SER A 37 -15.590 -9.222 11.108 1.00 0.00 H new ATOM 0 HA SER A 37 -14.449 -10.015 8.533 1.00 0.00 H new ATOM 0 HB2 SER A 37 -13.724 -11.109 10.656 1.00 0.00 H new ATOM 0 HB3 SER A 37 -15.372 -11.625 10.954 1.00 0.00 H new ATOM 0 HG SER A 37 -14.105 -13.279 9.934 1.00 0.00 H new ATOM 519 N GLY A 38 -16.722 -10.107 7.458 1.00 0.00 N ATOM 520 CA GLY A 38 -17.950 -10.404 6.745 1.00 0.00 C ATOM 521 C GLY A 38 -17.714 -10.677 5.272 1.00 0.00 C ATOM 522 O GLY A 38 -16.828 -10.097 4.646 1.00 0.00 O ATOM 0 H GLY A 38 -16.075 -9.495 6.960 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -18.430 -11.271 7.200 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -18.639 -9.566 6.850 1.00 0.00 H new ATOM 526 N PRO A 39 -18.521 -11.581 4.698 1.00 0.00 N ATOM 527 CA PRO A 39 -18.415 -11.951 3.283 1.00 0.00 C ATOM 528 C PRO A 39 -18.854 -10.825 2.354 1.00 0.00 C ATOM 529 O PRO A 39 -19.632 -9.954 2.744 1.00 0.00 O ATOM 530 CB PRO A 39 -19.361 -13.148 3.158 1.00 0.00 C ATOM 531 CG PRO A 39 -20.350 -12.966 4.257 1.00 0.00 C ATOM 532 CD PRO A 39 -19.600 -12.312 5.384 1.00 0.00 C ATOM 0 HA PRO A 39 -17.387 -12.171 2.995 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -19.850 -13.166 2.184 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -18.823 -14.090 3.262 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -21.185 -12.345 3.932 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -20.767 -13.923 4.569 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -20.240 -11.640 5.956 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -19.205 -13.048 6.084 1.00 0.00 H new ATOM 540 N SER A 40 -18.351 -10.848 1.124 1.00 0.00 N ATOM 541 CA SER A 40 -18.689 -9.826 0.141 1.00 0.00 C ATOM 542 C SER A 40 -19.847 -10.283 -0.741 1.00 0.00 C ATOM 543 O SER A 40 -20.894 -9.638 -0.795 1.00 0.00 O ATOM 544 CB SER A 40 -17.472 -9.499 -0.726 1.00 0.00 C ATOM 545 OG SER A 40 -17.791 -8.530 -1.709 1.00 0.00 O ATOM 0 H SER A 40 -17.708 -11.563 0.785 1.00 0.00 H new ATOM 0 HA SER A 40 -18.995 -8.928 0.678 1.00 0.00 H new ATOM 0 HB2 SER A 40 -16.662 -9.130 -0.097 1.00 0.00 H new ATOM 0 HB3 SER A 40 -17.112 -10.407 -1.210 1.00 0.00 H new ATOM 0 HG SER A 40 -16.996 -8.337 -2.249 1.00 0.00 H new ATOM 551 N SER A 41 -19.651 -11.402 -1.432 1.00 0.00 N ATOM 552 CA SER A 41 -20.676 -11.944 -2.316 1.00 0.00 C ATOM 553 C SER A 41 -21.838 -12.519 -1.511 1.00 0.00 C ATOM 554 O SER A 41 -21.697 -13.536 -0.835 1.00 0.00 O ATOM 555 CB SER A 41 -20.081 -13.027 -3.218 1.00 0.00 C ATOM 556 OG SER A 41 -19.587 -12.472 -4.424 1.00 0.00 O ATOM 0 H SER A 41 -18.792 -11.951 -1.396 1.00 0.00 H new ATOM 0 HA SER A 41 -21.053 -11.131 -2.937 1.00 0.00 H new ATOM 0 HB2 SER A 41 -19.275 -13.539 -2.693 1.00 0.00 H new ATOM 0 HB3 SER A 41 -20.841 -13.775 -3.443 1.00 0.00 H new ATOM 0 HG SER A 41 -19.211 -13.184 -4.982 1.00 0.00 H new ATOM 562 N GLY A 42 -22.989 -11.857 -1.589 1.00 0.00 N ATOM 563 CA GLY A 42 -24.159 -12.315 -0.864 1.00 0.00 C ATOM 564 C GLY A 42 -25.450 -11.767 -1.441 1.00 0.00 C ATOM 565 O GLY A 42 -25.399 -10.849 -2.257 1.00 0.00 O ATOM 0 H GLY A 42 -23.131 -11.012 -2.142 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -24.190 -13.404 -0.882 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -24.076 -12.016 0.181 1.00 0.00 H new TER 569 GLY A 42 HETATM 570 ZN ZN A 201 -5.181 -2.952 0.921 1.00 0.00 ZN