USER MOD reduce.3.24.130724 H: found=0, std=0, add=306, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 304 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 Set 1.1: A 22 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 24 SER OG : rot 180:sc= -0.0349 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 35:sc= 0.778 USER MOD Single : A 5 SER OG : rot 30:sc= 0.413 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 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 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -53:sc= 0.152 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.491 -5.166 1.252 1.00 0.00 N ATOM 2 CA GLY A 1 -17.195 -5.084 0.605 1.00 0.00 C ATOM 3 C GLY A 1 -17.291 -4.586 -0.824 1.00 0.00 C ATOM 4 O GLY A 1 -16.970 -5.312 -1.764 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.372 -5.511 2.226 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.930 -4.223 1.270 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.101 -5.822 0.725 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.549 -4.418 1.176 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.725 -6.068 0.613 1.00 0.00 H new ATOM 8 N SER A 2 -17.735 -3.344 -0.987 1.00 0.00 N ATOM 9 CA SER A 2 -17.878 -2.751 -2.312 1.00 0.00 C ATOM 10 C SER A 2 -16.518 -2.357 -2.880 1.00 0.00 C ATOM 11 O SER A 2 -15.936 -1.348 -2.483 1.00 0.00 O ATOM 12 CB SER A 2 -18.791 -1.526 -2.249 1.00 0.00 C ATOM 13 OG SER A 2 -18.719 -0.774 -3.449 1.00 0.00 O ATOM 0 H SER A 2 -18.002 -2.729 -0.218 1.00 0.00 H new ATOM 0 HA SER A 2 -18.326 -3.496 -2.970 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.819 -1.843 -2.076 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.505 -0.898 -1.405 1.00 0.00 H new ATOM 0 HG SER A 2 -19.313 0.003 -3.384 1.00 0.00 H new ATOM 19 N SER A 3 -16.017 -3.162 -3.812 1.00 0.00 N ATOM 20 CA SER A 3 -14.724 -2.902 -4.433 1.00 0.00 C ATOM 21 C SER A 3 -14.729 -1.557 -5.154 1.00 0.00 C ATOM 22 O SER A 3 -15.428 -1.377 -6.150 1.00 0.00 O ATOM 23 CB SER A 3 -14.372 -4.019 -5.417 1.00 0.00 C ATOM 24 OG SER A 3 -15.294 -4.061 -6.492 1.00 0.00 O ATOM 0 H SER A 3 -16.488 -4.000 -4.153 1.00 0.00 H new ATOM 0 HA SER A 3 -13.971 -2.871 -3.646 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.365 -3.863 -5.804 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.370 -4.978 -4.898 1.00 0.00 H new ATOM 0 HG SER A 3 -15.586 -3.151 -6.708 1.00 0.00 H new ATOM 30 N GLY A 4 -13.943 -0.615 -4.641 1.00 0.00 N ATOM 31 CA GLY A 4 -13.871 0.702 -5.247 1.00 0.00 C ATOM 32 C GLY A 4 -13.240 1.729 -4.329 1.00 0.00 C ATOM 33 O GLY A 4 -13.867 2.731 -3.984 1.00 0.00 O ATOM 0 H GLY A 4 -13.355 -0.740 -3.817 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.295 0.642 -6.171 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.875 1.029 -5.518 1.00 0.00 H new ATOM 37 N SER A 5 -11.997 1.480 -3.930 1.00 0.00 N ATOM 38 CA SER A 5 -11.283 2.389 -3.040 1.00 0.00 C ATOM 39 C SER A 5 -9.945 2.802 -3.646 1.00 0.00 C ATOM 40 O SER A 5 -9.101 1.959 -3.948 1.00 0.00 O ATOM 41 CB SER A 5 -11.058 1.731 -1.678 1.00 0.00 C ATOM 42 OG SER A 5 -10.290 0.547 -1.805 1.00 0.00 O ATOM 0 H SER A 5 -11.463 0.657 -4.209 1.00 0.00 H new ATOM 0 HA SER A 5 -11.893 3.282 -2.907 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.549 2.429 -1.013 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.019 1.498 -1.220 1.00 0.00 H new ATOM 0 HG SER A 5 -9.684 0.631 -2.570 1.00 0.00 H new ATOM 48 N SER A 6 -9.760 4.107 -3.822 1.00 0.00 N ATOM 49 CA SER A 6 -8.527 4.633 -4.395 1.00 0.00 C ATOM 50 C SER A 6 -8.043 5.853 -3.616 1.00 0.00 C ATOM 51 O SER A 6 -8.803 6.789 -3.372 1.00 0.00 O ATOM 52 CB SER A 6 -8.740 5.004 -5.864 1.00 0.00 C ATOM 53 OG SER A 6 -8.640 3.862 -6.697 1.00 0.00 O ATOM 0 H SER A 6 -10.448 4.819 -3.576 1.00 0.00 H new ATOM 0 HA SER A 6 -7.765 3.856 -4.330 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.720 5.464 -5.988 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.000 5.745 -6.166 1.00 0.00 H new ATOM 0 HG SER A 6 -8.782 4.125 -7.630 1.00 0.00 H new ATOM 59 N GLY A 7 -6.771 5.834 -3.228 1.00 0.00 N ATOM 60 CA GLY A 7 -6.207 6.942 -2.481 1.00 0.00 C ATOM 61 C GLY A 7 -5.917 8.144 -3.358 1.00 0.00 C ATOM 62 O GLY A 7 -6.339 8.196 -4.513 1.00 0.00 O ATOM 0 H GLY A 7 -6.122 5.071 -3.418 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.898 7.232 -1.689 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.286 6.618 -1.997 1.00 0.00 H new ATOM 66 N VAL A 8 -5.194 9.115 -2.808 1.00 0.00 N ATOM 67 CA VAL A 8 -4.848 10.323 -3.547 1.00 0.00 C ATOM 68 C VAL A 8 -3.440 10.230 -4.124 1.00 0.00 C ATOM 69 O VAL A 8 -3.099 10.934 -5.075 1.00 0.00 O ATOM 70 CB VAL A 8 -4.943 11.574 -2.654 1.00 0.00 C ATOM 71 CG1 VAL A 8 -4.884 12.839 -3.498 1.00 0.00 C ATOM 72 CG2 VAL A 8 -6.216 11.538 -1.821 1.00 0.00 C ATOM 0 H VAL A 8 -4.837 9.088 -1.853 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.566 10.412 -4.362 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.091 11.580 -1.974 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.953 13.713 -2.850 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.942 12.867 -4.046 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.715 12.845 -4.204 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.267 12.429 -1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.082 11.508 -2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.212 10.651 -1.188 1.00 0.00 H new ATOM 82 N LYS A 9 -2.626 9.356 -3.544 1.00 0.00 N ATOM 83 CA LYS A 9 -1.254 9.167 -4.000 1.00 0.00 C ATOM 84 C LYS A 9 -1.215 8.851 -5.492 1.00 0.00 C ATOM 85 O LYS A 9 -2.123 8.227 -6.042 1.00 0.00 O ATOM 86 CB LYS A 9 -0.582 8.041 -3.212 1.00 0.00 C ATOM 87 CG LYS A 9 0.122 8.515 -1.953 1.00 0.00 C ATOM 88 CD LYS A 9 -0.840 8.622 -0.782 1.00 0.00 C ATOM 89 CE LYS A 9 -1.475 10.002 -0.706 1.00 0.00 C ATOM 90 NZ LYS A 9 -2.032 10.283 0.647 1.00 0.00 N ATOM 0 H LYS A 9 -2.893 8.766 -2.756 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.710 10.096 -3.829 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.334 7.300 -2.940 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.141 7.540 -3.856 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.926 7.823 -1.702 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.583 9.486 -2.136 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.620 7.867 -0.880 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.309 8.413 0.147 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.731 10.758 -0.957 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.269 10.078 -1.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.456 11.233 0.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.760 9.577 0.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.270 10.236 1.353 1.00 0.00 H new ATOM 104 N PRO A 10 -0.140 9.290 -6.163 1.00 0.00 N ATOM 105 CA PRO A 10 0.043 9.063 -7.600 1.00 0.00 C ATOM 106 C PRO A 10 0.315 7.598 -7.926 1.00 0.00 C ATOM 107 O PRO A 10 0.273 7.192 -9.087 1.00 0.00 O ATOM 108 CB PRO A 10 1.263 9.922 -7.942 1.00 0.00 C ATOM 109 CG PRO A 10 2.016 10.038 -6.662 1.00 0.00 C ATOM 110 CD PRO A 10 0.981 10.040 -5.571 1.00 0.00 C ATOM 0 HA PRO A 10 -0.850 9.320 -8.170 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.870 9.456 -8.718 1.00 0.00 H new ATOM 0 HB3 PRO A 10 0.965 10.901 -8.316 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.709 9.206 -6.540 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.609 10.953 -6.639 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.351 9.560 -4.665 1.00 0.00 H new ATOM 0 HD3 PRO A 10 0.687 11.053 -5.298 1.00 0.00 H new ATOM 118 N TYR A 11 0.593 6.809 -6.894 1.00 0.00 N ATOM 119 CA TYR A 11 0.874 5.390 -7.071 1.00 0.00 C ATOM 120 C TYR A 11 -0.152 4.535 -6.333 1.00 0.00 C ATOM 121 O TYR A 11 0.106 3.377 -6.007 1.00 0.00 O ATOM 122 CB TYR A 11 2.282 5.060 -6.572 1.00 0.00 C ATOM 123 CG TYR A 11 3.369 5.860 -7.254 1.00 0.00 C ATOM 124 CD1 TYR A 11 3.783 5.547 -8.543 1.00 0.00 C ATOM 125 CD2 TYR A 11 3.983 6.927 -6.610 1.00 0.00 C ATOM 126 CE1 TYR A 11 4.776 6.274 -9.171 1.00 0.00 C ATOM 127 CE2 TYR A 11 4.976 7.660 -7.231 1.00 0.00 C ATOM 128 CZ TYR A 11 5.369 7.329 -8.511 1.00 0.00 C ATOM 129 OH TYR A 11 6.359 8.056 -9.132 1.00 0.00 O ATOM 0 H TYR A 11 0.630 7.129 -5.926 1.00 0.00 H new ATOM 0 HA TYR A 11 0.811 5.164 -8.135 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.329 5.240 -5.498 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.473 3.998 -6.726 1.00 0.00 H new ATOM 0 HD1 TYR A 11 3.321 4.721 -9.063 1.00 0.00 H new ATOM 0 HD2 TYR A 11 3.679 7.188 -5.607 1.00 0.00 H new ATOM 0 HE1 TYR A 11 5.086 6.017 -10.173 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.442 8.488 -6.717 1.00 0.00 H new ATOM 0 HH TYR A 11 6.670 8.765 -8.531 1.00 0.00 H new ATOM 139 N GLY A 12 -1.320 5.116 -6.074 1.00 0.00 N ATOM 140 CA GLY A 12 -2.369 4.395 -5.377 1.00 0.00 C ATOM 141 C GLY A 12 -2.817 3.156 -6.127 1.00 0.00 C ATOM 142 O GLY A 12 -3.362 3.250 -7.227 1.00 0.00 O ATOM 0 H GLY A 12 -1.558 6.073 -6.335 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.013 4.108 -4.387 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.223 5.056 -5.229 1.00 0.00 H new ATOM 146 N CYS A 13 -2.585 1.990 -5.532 1.00 0.00 N ATOM 147 CA CYS A 13 -2.966 0.726 -6.151 1.00 0.00 C ATOM 148 C CYS A 13 -4.444 0.731 -6.531 1.00 0.00 C ATOM 149 O CYS A 13 -5.318 0.748 -5.665 1.00 0.00 O ATOM 150 CB CYS A 13 -2.676 -0.438 -5.201 1.00 0.00 C ATOM 151 SG CYS A 13 -3.385 -2.028 -5.737 1.00 0.00 S ATOM 0 H CYS A 13 -2.135 1.895 -4.622 1.00 0.00 H new ATOM 0 HA CYS A 13 -2.376 0.601 -7.059 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -1.597 -0.550 -5.099 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -3.066 -0.193 -4.213 1.00 0.00 H new ATOM 156 N SER A 14 -4.714 0.715 -7.832 1.00 0.00 N ATOM 157 CA SER A 14 -6.085 0.721 -8.328 1.00 0.00 C ATOM 158 C SER A 14 -6.578 -0.701 -8.580 1.00 0.00 C ATOM 159 O SER A 14 -7.181 -0.986 -9.614 1.00 0.00 O ATOM 160 CB SER A 14 -6.181 1.541 -9.616 1.00 0.00 C ATOM 161 OG SER A 14 -5.862 2.902 -9.379 1.00 0.00 O ATOM 0 H SER A 14 -4.002 0.698 -8.562 1.00 0.00 H new ATOM 0 HA SER A 14 -6.718 1.177 -7.567 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.503 1.130 -10.364 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.189 1.466 -10.024 1.00 0.00 H new ATOM 0 HG SER A 14 -5.929 3.405 -10.218 1.00 0.00 H new ATOM 167 N GLU A 15 -6.316 -1.589 -7.626 1.00 0.00 N ATOM 168 CA GLU A 15 -6.732 -2.981 -7.744 1.00 0.00 C ATOM 169 C GLU A 15 -7.432 -3.450 -6.472 1.00 0.00 C ATOM 170 O GLU A 15 -8.453 -4.136 -6.528 1.00 0.00 O ATOM 171 CB GLU A 15 -5.524 -3.874 -8.034 1.00 0.00 C ATOM 172 CG GLU A 15 -5.218 -4.022 -9.515 1.00 0.00 C ATOM 173 CD GLU A 15 -6.398 -4.552 -10.305 1.00 0.00 C ATOM 174 OE1 GLU A 15 -7.167 -5.365 -9.749 1.00 0.00 O ATOM 175 OE2 GLU A 15 -6.554 -4.156 -11.479 1.00 0.00 O ATOM 0 H GLU A 15 -5.818 -1.369 -6.764 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.436 -3.054 -8.573 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.649 -3.462 -7.530 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.702 -4.861 -7.608 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.920 -3.054 -9.919 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.370 -4.695 -9.641 1.00 0.00 H new ATOM 182 N CYS A 16 -6.875 -3.076 -5.325 1.00 0.00 N ATOM 183 CA CYS A 16 -7.442 -3.458 -4.038 1.00 0.00 C ATOM 184 C CYS A 16 -7.736 -2.226 -3.186 1.00 0.00 C ATOM 185 O CYS A 16 -8.793 -2.127 -2.564 1.00 0.00 O ATOM 186 CB CYS A 16 -6.487 -4.391 -3.292 1.00 0.00 C ATOM 187 SG CYS A 16 -4.958 -3.584 -2.716 1.00 0.00 S ATOM 0 H CYS A 16 -6.030 -2.508 -5.261 1.00 0.00 H new ATOM 0 HA CYS A 16 -8.379 -3.982 -4.224 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -7.007 -4.815 -2.433 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -6.223 -5.222 -3.946 1.00 0.00 H new ATOM 192 N GLY A 17 -6.793 -1.290 -3.164 1.00 0.00 N ATOM 193 CA GLY A 17 -6.969 -0.077 -2.386 1.00 0.00 C ATOM 194 C GLY A 17 -5.782 0.214 -1.490 1.00 0.00 C ATOM 195 O GLY A 17 -5.934 0.378 -0.279 1.00 0.00 O ATOM 0 H GLY A 17 -5.910 -1.349 -3.671 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.126 0.764 -3.061 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.868 -0.168 -1.776 1.00 0.00 H new ATOM 199 N LYS A 18 -4.596 0.278 -2.084 1.00 0.00 N ATOM 200 CA LYS A 18 -3.377 0.551 -1.332 1.00 0.00 C ATOM 201 C LYS A 18 -2.719 1.841 -1.812 1.00 0.00 C ATOM 202 O LYS A 18 -3.027 2.341 -2.893 1.00 0.00 O ATOM 203 CB LYS A 18 -2.396 -0.616 -1.469 1.00 0.00 C ATOM 204 CG LYS A 18 -2.619 -1.720 -0.450 1.00 0.00 C ATOM 205 CD LYS A 18 -1.833 -1.469 0.826 1.00 0.00 C ATOM 206 CE LYS A 18 -0.372 -1.863 0.668 1.00 0.00 C ATOM 207 NZ LYS A 18 0.512 -1.099 1.590 1.00 0.00 N ATOM 0 H LYS A 18 -4.453 0.144 -3.085 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.646 0.670 -0.283 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.481 -1.036 -2.471 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.379 -0.239 -1.367 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.681 -1.791 -0.216 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.322 -2.677 -0.879 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.900 -0.415 1.094 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.277 -2.035 1.645 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.261 -2.930 0.860 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.059 -1.690 -0.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.499 -1.397 1.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.426 -0.082 1.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.230 -1.284 2.574 1.00 0.00 H new ATOM 221 N ALA A 19 -1.809 2.373 -1.002 1.00 0.00 N ATOM 222 CA ALA A 19 -1.105 3.602 -1.346 1.00 0.00 C ATOM 223 C ALA A 19 0.405 3.412 -1.259 1.00 0.00 C ATOM 224 O ALA A 19 0.891 2.536 -0.543 1.00 0.00 O ATOM 225 CB ALA A 19 -1.550 4.737 -0.437 1.00 0.00 C ATOM 0 H ALA A 19 -1.542 1.972 -0.103 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.353 3.858 -2.376 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.016 5.649 -0.705 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.622 4.897 -0.553 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.331 4.480 0.599 1.00 0.00 H new ATOM 231 N PHE A 20 1.144 4.238 -1.993 1.00 0.00 N ATOM 232 CA PHE A 20 2.600 4.160 -2.000 1.00 0.00 C ATOM 233 C PHE A 20 3.215 5.496 -2.407 1.00 0.00 C ATOM 234 O PHE A 20 2.666 6.214 -3.243 1.00 0.00 O ATOM 235 CB PHE A 20 3.068 3.058 -2.953 1.00 0.00 C ATOM 236 CG PHE A 20 2.339 1.758 -2.770 1.00 0.00 C ATOM 237 CD1 PHE A 20 1.041 1.606 -3.228 1.00 0.00 C ATOM 238 CD2 PHE A 20 2.953 0.687 -2.140 1.00 0.00 C ATOM 239 CE1 PHE A 20 0.367 0.411 -3.062 1.00 0.00 C ATOM 240 CE2 PHE A 20 2.284 -0.511 -1.971 1.00 0.00 C ATOM 241 CZ PHE A 20 0.990 -0.649 -2.431 1.00 0.00 C ATOM 0 H PHE A 20 0.758 4.969 -2.591 1.00 0.00 H new ATOM 0 HA PHE A 20 2.931 3.921 -0.989 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.937 3.397 -3.980 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.135 2.891 -2.806 1.00 0.00 H new ATOM 0 HD1 PHE A 20 0.549 2.432 -3.721 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.965 0.789 -1.777 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.645 0.306 -3.425 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.774 -1.339 -1.479 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.465 -1.584 -2.298 1.00 0.00 H new ATOM 251 N ARG A 21 4.356 5.822 -1.811 1.00 0.00 N ATOM 252 CA ARG A 21 5.045 7.071 -2.110 1.00 0.00 C ATOM 253 C ARG A 21 6.202 6.837 -3.077 1.00 0.00 C ATOM 254 O ARG A 21 7.110 7.661 -3.186 1.00 0.00 O ATOM 255 CB ARG A 21 5.565 7.713 -0.822 1.00 0.00 C ATOM 256 CG ARG A 21 5.906 9.187 -0.970 1.00 0.00 C ATOM 257 CD ARG A 21 6.784 9.673 0.172 1.00 0.00 C ATOM 258 NE ARG A 21 5.995 10.172 1.295 1.00 0.00 N ATOM 259 CZ ARG A 21 6.521 10.794 2.344 1.00 0.00 C ATOM 260 NH1 ARG A 21 7.830 10.994 2.413 1.00 0.00 N ATOM 261 NH2 ARG A 21 5.737 11.219 3.327 1.00 0.00 N ATOM 0 H ARG A 21 4.824 5.238 -1.118 1.00 0.00 H new ATOM 0 HA ARG A 21 4.331 7.746 -2.582 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.814 7.599 -0.041 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.453 7.175 -0.491 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.418 9.350 -1.919 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.987 9.773 -0.999 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.422 8.857 0.511 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.442 10.464 -0.188 1.00 0.00 H new ATOM 0 HE ARG A 21 4.984 10.035 1.273 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.436 10.670 1.659 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.231 11.472 3.220 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.729 11.068 3.277 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.142 11.697 4.132 1.00 0.00 H new ATOM 275 N SER A 22 6.163 5.707 -3.775 1.00 0.00 N ATOM 276 CA SER A 22 7.210 5.361 -4.730 1.00 0.00 C ATOM 277 C SER A 22 6.700 4.351 -5.753 1.00 0.00 C ATOM 278 O SER A 22 5.984 3.409 -5.411 1.00 0.00 O ATOM 279 CB SER A 22 8.428 4.794 -3.999 1.00 0.00 C ATOM 280 OG SER A 22 9.435 4.401 -4.916 1.00 0.00 O ATOM 0 H SER A 22 5.418 5.015 -3.697 1.00 0.00 H new ATOM 0 HA SER A 22 7.502 6.269 -5.257 1.00 0.00 H new ATOM 0 HB2 SER A 22 8.827 5.543 -3.315 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.128 3.938 -3.395 1.00 0.00 H new ATOM 0 HG SER A 22 10.204 4.044 -4.424 1.00 0.00 H new ATOM 286 N LYS A 23 7.074 4.553 -7.012 1.00 0.00 N ATOM 287 CA LYS A 23 6.658 3.660 -8.087 1.00 0.00 C ATOM 288 C LYS A 23 7.074 2.223 -7.793 1.00 0.00 C ATOM 289 O LYS A 23 6.237 1.375 -7.484 1.00 0.00 O ATOM 290 CB LYS A 23 7.261 4.116 -9.418 1.00 0.00 C ATOM 291 CG LYS A 23 6.858 3.247 -10.597 1.00 0.00 C ATOM 292 CD LYS A 23 6.954 4.008 -11.909 1.00 0.00 C ATOM 293 CE LYS A 23 8.387 4.068 -12.414 1.00 0.00 C ATOM 294 NZ LYS A 23 8.550 5.072 -13.503 1.00 0.00 N ATOM 0 H LYS A 23 7.665 5.328 -7.313 1.00 0.00 H new ATOM 0 HA LYS A 23 5.571 3.697 -8.156 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.955 5.144 -9.613 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.348 4.118 -9.333 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.500 2.367 -10.638 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.838 2.891 -10.456 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.323 3.527 -12.657 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.572 5.020 -11.773 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.053 4.317 -11.588 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.685 3.085 -12.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.540 5.083 -13.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.933 4.821 -14.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.290 6.014 -13.148 1.00 0.00 H new ATOM 308 N SER A 24 8.373 1.956 -7.890 1.00 0.00 N ATOM 309 CA SER A 24 8.900 0.620 -7.637 1.00 0.00 C ATOM 310 C SER A 24 8.124 -0.067 -6.517 1.00 0.00 C ATOM 311 O SER A 24 7.838 -1.262 -6.588 1.00 0.00 O ATOM 312 CB SER A 24 10.384 0.695 -7.272 1.00 0.00 C ATOM 313 OG SER A 24 10.565 1.258 -5.984 1.00 0.00 O ATOM 0 H SER A 24 9.079 2.647 -8.142 1.00 0.00 H new ATOM 0 HA SER A 24 8.786 0.033 -8.548 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.819 -0.304 -7.300 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.914 1.295 -8.012 1.00 0.00 H new ATOM 0 HG SER A 24 11.522 1.293 -5.774 1.00 0.00 H new ATOM 319 N TYR A 25 7.786 0.698 -5.485 1.00 0.00 N ATOM 320 CA TYR A 25 7.045 0.164 -4.348 1.00 0.00 C ATOM 321 C TYR A 25 5.725 -0.454 -4.800 1.00 0.00 C ATOM 322 O TYR A 25 5.382 -1.570 -4.409 1.00 0.00 O ATOM 323 CB TYR A 25 6.780 1.266 -3.322 1.00 0.00 C ATOM 324 CG TYR A 25 6.688 0.760 -1.900 1.00 0.00 C ATOM 325 CD1 TYR A 25 6.472 -0.587 -1.634 1.00 0.00 C ATOM 326 CD2 TYR A 25 6.816 1.628 -0.823 1.00 0.00 C ATOM 327 CE1 TYR A 25 6.387 -1.053 -0.336 1.00 0.00 C ATOM 328 CE2 TYR A 25 6.733 1.170 0.478 1.00 0.00 C ATOM 329 CZ TYR A 25 6.519 -0.171 0.716 1.00 0.00 C ATOM 330 OH TYR A 25 6.434 -0.631 2.010 1.00 0.00 O ATOM 0 H TYR A 25 8.013 1.690 -5.412 1.00 0.00 H new ATOM 0 HA TYR A 25 7.651 -0.615 -3.886 1.00 0.00 H new ATOM 0 HB2 TYR A 25 7.576 2.008 -3.384 1.00 0.00 H new ATOM 0 HB3 TYR A 25 5.850 1.774 -3.579 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.369 -1.281 -2.455 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.983 2.679 -1.006 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.218 -2.103 -0.146 1.00 0.00 H new ATOM 0 HE2 TYR A 25 6.835 1.859 1.304 1.00 0.00 H new ATOM 0 HH TYR A 25 6.550 0.118 2.632 1.00 0.00 H new ATOM 340 N LEU A 26 4.989 0.280 -5.628 1.00 0.00 N ATOM 341 CA LEU A 26 3.706 -0.195 -6.135 1.00 0.00 C ATOM 342 C LEU A 26 3.873 -1.507 -6.895 1.00 0.00 C ATOM 343 O LEU A 26 3.190 -2.491 -6.610 1.00 0.00 O ATOM 344 CB LEU A 26 3.075 0.859 -7.047 1.00 0.00 C ATOM 345 CG LEU A 26 1.794 0.441 -7.770 1.00 0.00 C ATOM 346 CD1 LEU A 26 0.690 0.140 -6.768 1.00 0.00 C ATOM 347 CD2 LEU A 26 1.353 1.525 -8.743 1.00 0.00 C ATOM 0 H LEU A 26 5.258 1.205 -5.962 1.00 0.00 H new ATOM 0 HA LEU A 26 3.049 -0.371 -5.283 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.859 1.745 -6.450 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.812 1.151 -7.795 1.00 0.00 H new ATOM 0 HG LEU A 26 1.999 -0.467 -8.337 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.214 -0.156 -7.300 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.006 -0.671 -6.111 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.486 1.030 -6.173 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.440 1.211 -9.249 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.165 2.450 -8.197 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.137 1.692 -9.481 1.00 0.00 H new ATOM 359 N ILE A 27 4.785 -1.514 -7.861 1.00 0.00 N ATOM 360 CA ILE A 27 5.043 -2.706 -8.659 1.00 0.00 C ATOM 361 C ILE A 27 5.235 -3.931 -7.771 1.00 0.00 C ATOM 362 O ILE A 27 4.639 -4.982 -8.009 1.00 0.00 O ATOM 363 CB ILE A 27 6.289 -2.530 -9.547 1.00 0.00 C ATOM 364 CG1 ILE A 27 6.109 -1.335 -10.486 1.00 0.00 C ATOM 365 CG2 ILE A 27 6.557 -3.799 -10.342 1.00 0.00 C ATOM 366 CD1 ILE A 27 7.409 -0.812 -11.055 1.00 0.00 C ATOM 0 H ILE A 27 5.358 -0.708 -8.110 1.00 0.00 H new ATOM 0 HA ILE A 27 4.171 -2.854 -9.296 1.00 0.00 H new ATOM 0 HB ILE A 27 7.149 -2.338 -8.906 1.00 0.00 H new ATOM 0 HG12 ILE A 27 5.453 -1.624 -11.307 1.00 0.00 H new ATOM 0 HG13 ILE A 27 5.609 -0.531 -9.946 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.441 -3.659 -10.965 1.00 0.00 H new ATOM 0 HG22 ILE A 27 6.725 -4.629 -9.656 1.00 0.00 H new ATOM 0 HG23 ILE A 27 5.698 -4.020 -10.976 1.00 0.00 H new ATOM 0 HD11 ILE A 27 7.205 0.034 -11.711 1.00 0.00 H new ATOM 0 HD12 ILE A 27 8.059 -0.491 -10.241 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.901 -1.601 -11.623 1.00 0.00 H new ATOM 378 N ILE A 28 6.068 -3.787 -6.746 1.00 0.00 N ATOM 379 CA ILE A 28 6.336 -4.881 -5.821 1.00 0.00 C ATOM 380 C ILE A 28 5.054 -5.356 -5.145 1.00 0.00 C ATOM 381 O ILE A 28 4.987 -6.473 -4.631 1.00 0.00 O ATOM 382 CB ILE A 28 7.350 -4.468 -4.738 1.00 0.00 C ATOM 383 CG1 ILE A 28 8.628 -3.929 -5.385 1.00 0.00 C ATOM 384 CG2 ILE A 28 7.666 -5.647 -3.830 1.00 0.00 C ATOM 385 CD1 ILE A 28 9.379 -2.947 -4.513 1.00 0.00 C ATOM 0 H ILE A 28 6.569 -2.924 -6.535 1.00 0.00 H new ATOM 0 HA ILE A 28 6.757 -5.695 -6.410 1.00 0.00 H new ATOM 0 HB ILE A 28 6.910 -3.676 -4.132 1.00 0.00 H new ATOM 0 HG12 ILE A 28 9.285 -4.765 -5.625 1.00 0.00 H new ATOM 0 HG13 ILE A 28 8.372 -3.444 -6.327 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.384 -5.339 -3.070 1.00 0.00 H new ATOM 0 HG22 ILE A 28 6.751 -5.990 -3.347 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.090 -6.459 -4.422 1.00 0.00 H new ATOM 0 HD11 ILE A 28 10.273 -2.607 -5.035 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.739 -2.092 -4.294 1.00 0.00 H new ATOM 0 HD13 ILE A 28 9.666 -3.434 -3.581 1.00 0.00 H new ATOM 397 N HIS A 29 4.036 -4.500 -5.152 1.00 0.00 N ATOM 398 CA HIS A 29 2.754 -4.833 -4.541 1.00 0.00 C ATOM 399 C HIS A 29 1.764 -5.327 -5.592 1.00 0.00 C ATOM 400 O HIS A 29 0.810 -6.036 -5.275 1.00 0.00 O ATOM 401 CB HIS A 29 2.180 -3.616 -3.815 1.00 0.00 C ATOM 402 CG HIS A 29 0.728 -3.752 -3.474 1.00 0.00 C ATOM 403 ND1 HIS A 29 0.282 -4.277 -2.279 1.00 0.00 N ATOM 404 CD2 HIS A 29 -0.381 -3.426 -4.177 1.00 0.00 C ATOM 405 CE1 HIS A 29 -1.039 -4.270 -2.264 1.00 0.00 C ATOM 406 NE2 HIS A 29 -1.466 -3.758 -3.404 1.00 0.00 N ATOM 0 H HIS A 29 4.074 -3.572 -5.574 1.00 0.00 H new ATOM 0 HA HIS A 29 2.920 -5.632 -3.819 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.746 -3.450 -2.898 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.317 -2.733 -4.439 1.00 0.00 H new ATOM 0 HD1 HIS A 29 0.879 -4.617 -1.525 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -0.408 -2.986 -5.163 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.664 -4.623 -1.457 1.00 0.00 H new ATOM 414 N MET A 30 1.998 -4.946 -6.844 1.00 0.00 N ATOM 415 CA MET A 30 1.127 -5.351 -7.941 1.00 0.00 C ATOM 416 C MET A 30 1.535 -6.718 -8.483 1.00 0.00 C ATOM 417 O MET A 30 0.719 -7.637 -8.551 1.00 0.00 O ATOM 418 CB MET A 30 1.168 -4.312 -9.063 1.00 0.00 C ATOM 419 CG MET A 30 0.530 -2.985 -8.685 1.00 0.00 C ATOM 420 SD MET A 30 -0.188 -2.131 -10.101 1.00 0.00 S ATOM 421 CE MET A 30 -1.760 -2.978 -10.245 1.00 0.00 C ATOM 0 H MET A 30 2.783 -4.358 -7.124 1.00 0.00 H new ATOM 0 HA MET A 30 0.109 -5.421 -7.557 1.00 0.00 H new ATOM 0 HB2 MET A 30 2.205 -4.139 -9.349 1.00 0.00 H new ATOM 0 HB3 MET A 30 0.659 -4.714 -9.939 1.00 0.00 H new ATOM 0 HG2 MET A 30 -0.245 -3.159 -7.939 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.280 -2.344 -8.222 1.00 0.00 H new ATOM 0 HE1 MET A 30 -2.323 -2.561 -11.080 1.00 0.00 H new ATOM 0 HE2 MET A 30 -1.587 -4.040 -10.418 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.329 -2.849 -9.324 1.00 0.00 H new ATOM 431 N ARG A 31 2.801 -6.844 -8.866 1.00 0.00 N ATOM 432 CA ARG A 31 3.315 -8.098 -9.403 1.00 0.00 C ATOM 433 C ARG A 31 2.822 -9.284 -8.581 1.00 0.00 C ATOM 434 O ARG A 31 2.766 -10.413 -9.070 1.00 0.00 O ATOM 435 CB ARG A 31 4.845 -8.079 -9.425 1.00 0.00 C ATOM 436 CG ARG A 31 5.472 -7.995 -8.043 1.00 0.00 C ATOM 437 CD ARG A 31 5.727 -9.377 -7.463 1.00 0.00 C ATOM 438 NE ARG A 31 7.057 -9.877 -7.802 1.00 0.00 N ATOM 439 CZ ARG A 31 7.575 -10.991 -7.297 1.00 0.00 C ATOM 440 NH1 ARG A 31 6.878 -11.718 -6.435 1.00 0.00 N ATOM 441 NH2 ARG A 31 8.792 -11.380 -7.654 1.00 0.00 N ATOM 0 H ARG A 31 3.490 -6.093 -8.814 1.00 0.00 H new ATOM 0 HA ARG A 31 2.945 -8.206 -10.423 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.204 -8.979 -9.924 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.181 -7.230 -10.020 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.411 -7.444 -8.101 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.815 -7.435 -7.377 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.619 -9.341 -6.379 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.973 -10.071 -7.835 1.00 0.00 H new ATOM 0 HE ARG A 31 7.619 -9.341 -8.463 1.00 0.00 H new ATOM 0 HH11 ARG A 31 5.942 -11.422 -6.158 1.00 0.00 H new ATOM 0 HH12 ARG A 31 7.278 -12.573 -6.049 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.331 -10.823 -8.317 1.00 0.00 H new ATOM 0 HH22 ARG A 31 9.188 -12.236 -7.265 1.00 0.00 H new ATOM 455 N THR A 32 2.465 -9.022 -7.327 1.00 0.00 N ATOM 456 CA THR A 32 1.979 -10.067 -6.436 1.00 0.00 C ATOM 457 C THR A 32 0.520 -10.402 -6.726 1.00 0.00 C ATOM 458 O THR A 32 0.162 -11.568 -6.896 1.00 0.00 O ATOM 459 CB THR A 32 2.115 -9.654 -4.958 1.00 0.00 C ATOM 460 OG1 THR A 32 1.319 -8.491 -4.700 1.00 0.00 O ATOM 461 CG2 THR A 32 3.567 -9.369 -4.608 1.00 0.00 C ATOM 0 H THR A 32 2.504 -8.094 -6.906 1.00 0.00 H new ATOM 0 HA THR A 32 2.595 -10.948 -6.617 1.00 0.00 H new ATOM 0 HB THR A 32 1.764 -10.479 -4.338 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.551 -7.787 -5.341 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.638 -9.079 -3.560 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.165 -10.264 -4.779 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.940 -8.559 -5.234 1.00 0.00 H new ATOM 469 N HIS A 33 -0.319 -9.372 -6.783 1.00 0.00 N ATOM 470 CA HIS A 33 -1.740 -9.558 -7.054 1.00 0.00 C ATOM 471 C HIS A 33 -1.956 -10.661 -8.086 1.00 0.00 C ATOM 472 O HIS A 33 -2.695 -11.616 -7.845 1.00 0.00 O ATOM 473 CB HIS A 33 -2.361 -8.252 -7.549 1.00 0.00 C ATOM 474 CG HIS A 33 -2.791 -7.337 -6.444 1.00 0.00 C ATOM 475 ND1 HIS A 33 -3.515 -7.765 -5.351 1.00 0.00 N ATOM 476 CD2 HIS A 33 -2.593 -6.010 -6.266 1.00 0.00 C ATOM 477 CE1 HIS A 33 -3.745 -6.740 -4.550 1.00 0.00 C ATOM 478 NE2 HIS A 33 -3.195 -5.663 -5.082 1.00 0.00 N ATOM 0 H HIS A 33 -0.039 -8.401 -6.645 1.00 0.00 H new ATOM 0 HA HIS A 33 -2.227 -9.854 -6.125 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.640 -7.733 -8.180 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -3.223 -8.483 -8.174 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -3.824 -8.723 -5.187 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.060 -5.347 -6.932 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -4.290 -6.776 -3.618 1.00 0.00 H new ATOM 486 N THR A 34 -1.307 -10.522 -9.239 1.00 0.00 N ATOM 487 CA THR A 34 -1.430 -11.505 -10.308 1.00 0.00 C ATOM 488 C THR A 34 -0.061 -12.010 -10.750 1.00 0.00 C ATOM 489 O THR A 34 0.876 -11.230 -10.915 1.00 0.00 O ATOM 490 CB THR A 34 -2.167 -10.919 -11.527 1.00 0.00 C ATOM 491 OG1 THR A 34 -2.321 -11.924 -12.536 1.00 0.00 O ATOM 492 CG2 THR A 34 -1.407 -9.732 -12.099 1.00 0.00 C ATOM 0 H THR A 34 -0.691 -9.738 -9.456 1.00 0.00 H new ATOM 0 HA THR A 34 -2.009 -12.337 -9.908 1.00 0.00 H new ATOM 0 HB THR A 34 -3.150 -10.578 -11.201 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.792 -11.544 -13.307 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.946 -9.335 -12.959 1.00 0.00 H new ATOM 0 HG22 THR A 34 -1.316 -8.957 -11.338 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.413 -10.052 -12.411 1.00 0.00 H new ATOM 500 N GLY A 35 0.047 -13.322 -10.941 1.00 0.00 N ATOM 501 CA GLY A 35 1.305 -13.908 -11.364 1.00 0.00 C ATOM 502 C GLY A 35 1.488 -15.322 -10.848 1.00 0.00 C ATOM 503 O GLY A 35 2.378 -15.583 -10.039 1.00 0.00 O ATOM 0 H GLY A 35 -0.714 -13.988 -10.810 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.352 -13.913 -12.453 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.128 -13.287 -11.012 1.00 0.00 H new ATOM 507 N GLU A 36 0.642 -16.235 -11.315 1.00 0.00 N ATOM 508 CA GLU A 36 0.714 -17.629 -10.892 1.00 0.00 C ATOM 509 C GLU A 36 0.171 -18.554 -11.977 1.00 0.00 C ATOM 510 O GLU A 36 -0.497 -18.111 -12.912 1.00 0.00 O ATOM 511 CB GLU A 36 -0.070 -17.832 -9.594 1.00 0.00 C ATOM 512 CG GLU A 36 0.652 -17.315 -8.360 1.00 0.00 C ATOM 513 CD GLU A 36 -0.134 -17.549 -7.085 1.00 0.00 C ATOM 514 OE1 GLU A 36 -0.582 -18.693 -6.864 1.00 0.00 O ATOM 515 OE2 GLU A 36 -0.301 -16.586 -6.307 1.00 0.00 O ATOM 0 H GLU A 36 -0.100 -16.035 -11.985 1.00 0.00 H new ATOM 0 HA GLU A 36 1.761 -17.876 -10.718 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.033 -17.329 -9.679 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.276 -18.895 -9.466 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.622 -17.805 -8.279 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.842 -16.248 -8.475 1.00 0.00 H new ATOM 522 N LYS A 37 0.463 -19.844 -11.847 1.00 0.00 N ATOM 523 CA LYS A 37 0.005 -20.835 -12.814 1.00 0.00 C ATOM 524 C LYS A 37 -1.484 -20.668 -13.099 1.00 0.00 C ATOM 525 O LYS A 37 -2.274 -20.321 -12.221 1.00 0.00 O ATOM 526 CB LYS A 37 0.281 -22.248 -12.296 1.00 0.00 C ATOM 527 CG LYS A 37 1.732 -22.675 -12.438 1.00 0.00 C ATOM 528 CD LYS A 37 2.091 -22.956 -13.888 1.00 0.00 C ATOM 529 CE LYS A 37 3.591 -22.853 -14.120 1.00 0.00 C ATOM 530 NZ LYS A 37 4.036 -21.438 -14.253 1.00 0.00 N ATOM 0 H LYS A 37 1.015 -20.228 -11.080 1.00 0.00 H new ATOM 0 HA LYS A 37 0.554 -20.682 -13.743 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.004 -22.303 -11.245 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.351 -22.954 -12.835 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.382 -21.893 -12.046 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.910 -23.568 -11.838 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.747 -23.953 -14.163 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.572 -22.250 -14.536 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.120 -23.324 -13.291 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.858 -23.404 -15.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.064 -21.411 -14.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.551 -20.996 -15.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 3.805 -20.918 -13.382 1.00 0.00 H new ATOM 544 N PRO A 38 -1.878 -20.923 -14.356 1.00 0.00 N ATOM 545 CA PRO A 38 -3.275 -20.810 -14.785 1.00 0.00 C ATOM 546 C PRO A 38 -4.157 -21.899 -14.183 1.00 0.00 C ATOM 547 O PRO A 38 -3.971 -23.084 -14.460 1.00 0.00 O ATOM 548 CB PRO A 38 -3.193 -20.968 -16.305 1.00 0.00 C ATOM 549 CG PRO A 38 -1.949 -21.752 -16.538 1.00 0.00 C ATOM 550 CD PRO A 38 -0.991 -21.341 -15.454 1.00 0.00 C ATOM 0 HA PRO A 38 -3.725 -19.871 -14.464 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.067 -21.488 -16.697 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.149 -19.999 -16.802 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -2.149 -22.823 -16.497 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.535 -21.543 -17.524 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.344 -22.166 -15.156 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.342 -20.527 -15.778 1.00 0.00 H new ATOM 558 N SER A 39 -5.116 -21.489 -13.360 1.00 0.00 N ATOM 559 CA SER A 39 -6.025 -22.431 -12.716 1.00 0.00 C ATOM 560 C SER A 39 -7.478 -22.083 -13.026 1.00 0.00 C ATOM 561 O SER A 39 -7.787 -20.961 -13.427 1.00 0.00 O ATOM 562 CB SER A 39 -5.800 -22.436 -11.203 1.00 0.00 C ATOM 563 OG SER A 39 -4.468 -22.798 -10.886 1.00 0.00 O ATOM 0 H SER A 39 -5.284 -20.511 -13.123 1.00 0.00 H new ATOM 0 HA SER A 39 -5.817 -23.426 -13.110 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.018 -21.448 -10.797 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.492 -23.134 -10.732 1.00 0.00 H new ATOM 0 HG SER A 39 -4.350 -22.792 -9.913 1.00 0.00 H new ATOM 569 N GLY A 40 -8.366 -23.053 -12.835 1.00 0.00 N ATOM 570 CA GLY A 40 -9.776 -22.831 -13.098 1.00 0.00 C ATOM 571 C GLY A 40 -10.348 -21.697 -12.270 1.00 0.00 C ATOM 572 O GLY A 40 -9.933 -21.457 -11.136 1.00 0.00 O ATOM 0 H GLY A 40 -8.134 -23.989 -12.503 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.915 -22.610 -14.156 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.330 -23.746 -12.888 1.00 0.00 H new ATOM 576 N PRO A 41 -11.325 -20.977 -12.841 1.00 0.00 N ATOM 577 CA PRO A 41 -11.975 -19.850 -12.166 1.00 0.00 C ATOM 578 C PRO A 41 -12.853 -20.299 -11.003 1.00 0.00 C ATOM 579 O PRO A 41 -13.024 -21.496 -10.768 1.00 0.00 O ATOM 580 CB PRO A 41 -12.830 -19.221 -13.269 1.00 0.00 C ATOM 581 CG PRO A 41 -13.093 -20.333 -14.225 1.00 0.00 C ATOM 582 CD PRO A 41 -11.870 -21.207 -14.190 1.00 0.00 C ATOM 0 HA PRO A 41 -11.250 -19.165 -11.727 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -13.759 -18.816 -12.867 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -12.307 -18.397 -13.754 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -13.982 -20.894 -13.936 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -13.270 -19.950 -15.230 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.121 -22.256 -14.349 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -11.155 -20.929 -14.965 1.00 0.00 H new ATOM 590 N SER A 42 -13.407 -19.333 -10.278 1.00 0.00 N ATOM 591 CA SER A 42 -14.265 -19.630 -9.136 1.00 0.00 C ATOM 592 C SER A 42 -15.574 -18.851 -9.223 1.00 0.00 C ATOM 593 O SER A 42 -16.654 -19.436 -9.291 1.00 0.00 O ATOM 594 CB SER A 42 -13.544 -19.294 -7.829 1.00 0.00 C ATOM 595 OG SER A 42 -12.677 -20.346 -7.440 1.00 0.00 O ATOM 0 H SER A 42 -13.277 -18.338 -10.461 1.00 0.00 H new ATOM 0 HA SER A 42 -14.495 -20.695 -9.152 1.00 0.00 H new ATOM 0 HB2 SER A 42 -12.973 -18.374 -7.951 1.00 0.00 H new ATOM 0 HB3 SER A 42 -14.276 -19.112 -7.042 1.00 0.00 H new ATOM 0 HG SER A 42 -12.227 -20.106 -6.603 1.00 0.00 H new ATOM 601 N SER A 43 -15.468 -17.526 -9.221 1.00 0.00 N ATOM 602 CA SER A 43 -16.642 -16.665 -9.295 1.00 0.00 C ATOM 603 C SER A 43 -16.260 -15.264 -9.763 1.00 0.00 C ATOM 604 O SER A 43 -15.080 -14.947 -9.913 1.00 0.00 O ATOM 605 CB SER A 43 -17.332 -16.589 -7.932 1.00 0.00 C ATOM 606 OG SER A 43 -16.590 -15.789 -7.028 1.00 0.00 O ATOM 0 H SER A 43 -14.581 -17.026 -9.169 1.00 0.00 H new ATOM 0 HA SER A 43 -17.332 -17.096 -10.020 1.00 0.00 H new ATOM 0 HB2 SER A 43 -18.334 -16.175 -8.051 1.00 0.00 H new ATOM 0 HB3 SER A 43 -17.448 -17.593 -7.523 1.00 0.00 H new ATOM 0 HG SER A 43 -17.053 -15.755 -6.165 1.00 0.00 H new ATOM 612 N GLY A 44 -17.268 -14.428 -9.993 1.00 0.00 N ATOM 613 CA GLY A 44 -17.018 -13.071 -10.442 1.00 0.00 C ATOM 614 C GLY A 44 -16.309 -13.024 -11.781 1.00 0.00 C ATOM 615 O GLY A 44 -16.109 -14.074 -12.389 1.00 0.00 O ATOM 0 H GLY A 44 -18.253 -14.666 -9.876 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -17.965 -12.536 -10.517 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -16.416 -12.550 -9.697 1.00 0.00 H new TER 619 GLY A 44 HETATM 620 ZN ZN A 201 -3.312 -3.747 -4.244 1.00 0.00 ZN