USER MOD reduce.3.24.130724 H: found=0, std=0, add=306, rem=0, adj=16 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 39:sc= 1.03 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 32:sc= 1.25 USER MOD Single : A 9 LYS NZ :NH3+ -161:sc= -0.0278 (180deg=-0.229) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -56:sc= 0.0338 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -138:sc= -1.09 (180deg=-2.99!) USER MOD Single : A 24 SER OG : rot 180:sc= 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 -72:sc= 0.612 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 37:sc= 0.874 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.084 17.938 4.451 1.00 0.00 N ATOM 2 CA GLY A 1 -21.875 17.282 3.987 1.00 0.00 C ATOM 3 C GLY A 1 -20.619 17.930 4.534 1.00 0.00 C ATOM 4 O GLY A 1 -20.509 19.155 4.570 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.915 17.458 4.050 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.126 17.894 5.489 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.078 18.933 4.147 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.898 16.233 4.283 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.848 17.305 2.898 1.00 0.00 H new ATOM 8 N SER A 2 -19.668 17.105 4.963 1.00 0.00 N ATOM 9 CA SER A 2 -18.415 17.605 5.516 1.00 0.00 C ATOM 10 C SER A 2 -17.440 16.460 5.772 1.00 0.00 C ATOM 11 O SER A 2 -17.612 15.681 6.709 1.00 0.00 O ATOM 12 CB SER A 2 -18.675 18.369 6.816 1.00 0.00 C ATOM 13 OG SER A 2 -19.159 17.503 7.828 1.00 0.00 O ATOM 0 H SER A 2 -19.742 16.088 4.938 1.00 0.00 H new ATOM 0 HA SER A 2 -17.970 18.283 4.788 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.754 18.847 7.151 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.399 19.164 6.636 1.00 0.00 H new ATOM 0 HG SER A 2 -18.696 16.641 7.770 1.00 0.00 H new ATOM 19 N SER A 3 -16.414 16.366 4.932 1.00 0.00 N ATOM 20 CA SER A 3 -15.412 15.315 5.064 1.00 0.00 C ATOM 21 C SER A 3 -14.140 15.855 5.711 1.00 0.00 C ATOM 22 O SER A 3 -13.749 16.998 5.478 1.00 0.00 O ATOM 23 CB SER A 3 -15.087 14.716 3.694 1.00 0.00 C ATOM 24 OG SER A 3 -15.995 13.681 3.361 1.00 0.00 O ATOM 0 H SER A 3 -16.255 17.005 4.153 1.00 0.00 H new ATOM 0 HA SER A 3 -15.822 14.535 5.706 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.126 15.496 2.934 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.070 14.324 3.697 1.00 0.00 H new ATOM 0 HG SER A 3 -15.767 13.316 2.481 1.00 0.00 H new ATOM 30 N GLY A 4 -13.498 15.022 6.525 1.00 0.00 N ATOM 31 CA GLY A 4 -12.277 15.433 7.194 1.00 0.00 C ATOM 32 C GLY A 4 -11.111 14.514 6.887 1.00 0.00 C ATOM 33 O GLY A 4 -10.544 13.897 7.789 1.00 0.00 O ATOM 0 H GLY A 4 -13.801 14.071 6.733 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.025 16.449 6.891 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.446 15.454 8.271 1.00 0.00 H new ATOM 37 N SER A 5 -10.753 14.421 5.610 1.00 0.00 N ATOM 38 CA SER A 5 -9.650 13.567 5.186 1.00 0.00 C ATOM 39 C SER A 5 -8.642 14.354 4.354 1.00 0.00 C ATOM 40 O SER A 5 -8.957 15.417 3.821 1.00 0.00 O ATOM 41 CB SER A 5 -10.179 12.380 4.378 1.00 0.00 C ATOM 42 OG SER A 5 -10.777 12.812 3.168 1.00 0.00 O ATOM 0 H SER A 5 -11.211 14.926 4.852 1.00 0.00 H new ATOM 0 HA SER A 5 -9.146 13.195 6.078 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.362 11.693 4.158 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.909 11.829 4.971 1.00 0.00 H new ATOM 0 HG SER A 5 -11.105 12.035 2.670 1.00 0.00 H new ATOM 48 N SER A 6 -7.428 13.822 4.249 1.00 0.00 N ATOM 49 CA SER A 6 -6.372 14.476 3.486 1.00 0.00 C ATOM 50 C SER A 6 -5.194 13.531 3.270 1.00 0.00 C ATOM 51 O SER A 6 -4.823 12.768 4.161 1.00 0.00 O ATOM 52 CB SER A 6 -5.900 15.740 4.207 1.00 0.00 C ATOM 53 OG SER A 6 -6.690 16.859 3.844 1.00 0.00 O ATOM 0 H SER A 6 -7.152 12.941 4.682 1.00 0.00 H new ATOM 0 HA SER A 6 -6.778 14.752 2.513 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.952 15.588 5.285 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.856 15.933 3.962 1.00 0.00 H new ATOM 0 HG SER A 6 -7.605 16.565 3.653 1.00 0.00 H new ATOM 59 N GLY A 7 -4.609 13.587 2.077 1.00 0.00 N ATOM 60 CA GLY A 7 -3.479 12.731 1.763 1.00 0.00 C ATOM 61 C GLY A 7 -3.784 11.756 0.643 1.00 0.00 C ATOM 62 O GLY A 7 -4.700 10.942 0.752 1.00 0.00 O ATOM 0 H GLY A 7 -4.897 14.210 1.322 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.627 13.349 1.481 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.189 12.176 2.655 1.00 0.00 H new ATOM 66 N VAL A 8 -3.014 11.840 -0.437 1.00 0.00 N ATOM 67 CA VAL A 8 -3.206 10.958 -1.583 1.00 0.00 C ATOM 68 C VAL A 8 -1.934 10.855 -2.417 1.00 0.00 C ATOM 69 O VAL A 8 -1.457 11.848 -2.966 1.00 0.00 O ATOM 70 CB VAL A 8 -4.358 11.448 -2.481 1.00 0.00 C ATOM 71 CG1 VAL A 8 -4.039 12.819 -3.057 1.00 0.00 C ATOM 72 CG2 VAL A 8 -4.631 10.444 -3.591 1.00 0.00 C ATOM 0 H VAL A 8 -2.252 12.509 -0.543 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.457 9.974 -1.187 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.258 11.537 -1.873 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.864 13.149 -3.689 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.897 13.531 -2.244 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.127 12.761 -3.652 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.448 10.806 -4.216 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.735 10.322 -4.200 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.906 9.484 -3.154 1.00 0.00 H new ATOM 82 N LYS A 9 -1.389 9.647 -2.507 1.00 0.00 N ATOM 83 CA LYS A 9 -0.173 9.411 -3.276 1.00 0.00 C ATOM 84 C LYS A 9 -0.491 9.227 -4.756 1.00 0.00 C ATOM 85 O LYS A 9 -1.569 8.765 -5.131 1.00 0.00 O ATOM 86 CB LYS A 9 0.561 8.178 -2.744 1.00 0.00 C ATOM 87 CG LYS A 9 1.525 8.486 -1.611 1.00 0.00 C ATOM 88 CD LYS A 9 0.788 8.894 -0.346 1.00 0.00 C ATOM 89 CE LYS A 9 0.565 10.398 -0.292 1.00 0.00 C ATOM 90 NZ LYS A 9 1.834 11.137 -0.045 1.00 0.00 N ATOM 0 H LYS A 9 -1.771 8.815 -2.056 1.00 0.00 H new ATOM 0 HA LYS A 9 0.470 10.284 -3.167 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.173 7.450 -2.398 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.111 7.712 -3.562 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.141 7.610 -1.408 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.200 9.286 -1.914 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.173 8.381 -0.302 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.359 8.578 0.527 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.126 10.734 -1.231 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.151 10.631 0.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.617 12.093 0.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.398 10.631 0.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.375 11.204 -0.931 1.00 0.00 H new ATOM 104 N PRO A 10 0.468 9.595 -5.619 1.00 0.00 N ATOM 105 CA PRO A 10 0.313 9.477 -7.072 1.00 0.00 C ATOM 106 C PRO A 10 0.312 8.025 -7.539 1.00 0.00 C ATOM 107 O PRO A 10 -0.011 7.734 -8.691 1.00 0.00 O ATOM 108 CB PRO A 10 1.537 10.214 -7.620 1.00 0.00 C ATOM 109 CG PRO A 10 2.551 10.127 -6.532 1.00 0.00 C ATOM 110 CD PRO A 10 1.778 10.153 -5.242 1.00 0.00 C ATOM 0 HA PRO A 10 -0.637 9.886 -7.415 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.900 9.751 -8.537 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.301 11.251 -7.859 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.137 9.212 -6.617 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.252 10.960 -6.584 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.263 9.555 -4.471 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.686 11.165 -4.849 1.00 0.00 H new ATOM 118 N TYR A 11 0.675 7.119 -6.638 1.00 0.00 N ATOM 119 CA TYR A 11 0.718 5.697 -6.959 1.00 0.00 C ATOM 120 C TYR A 11 -0.206 4.903 -6.041 1.00 0.00 C ATOM 121 O TYR A 11 0.239 4.292 -5.071 1.00 0.00 O ATOM 122 CB TYR A 11 2.149 5.169 -6.841 1.00 0.00 C ATOM 123 CG TYR A 11 3.158 5.973 -7.630 1.00 0.00 C ATOM 124 CD1 TYR A 11 3.275 5.820 -9.006 1.00 0.00 C ATOM 125 CD2 TYR A 11 3.995 6.885 -6.999 1.00 0.00 C ATOM 126 CE1 TYR A 11 4.196 6.551 -9.731 1.00 0.00 C ATOM 127 CE2 TYR A 11 4.918 7.622 -7.716 1.00 0.00 C ATOM 128 CZ TYR A 11 5.014 7.451 -9.081 1.00 0.00 C ATOM 129 OH TYR A 11 5.933 8.183 -9.799 1.00 0.00 O ATOM 0 H TYR A 11 0.944 7.344 -5.680 1.00 0.00 H new ATOM 0 HA TYR A 11 0.375 5.572 -7.986 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.441 5.166 -5.791 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.175 4.134 -7.182 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.634 5.117 -9.518 1.00 0.00 H new ATOM 0 HD2 TYR A 11 3.923 7.020 -5.930 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.275 6.419 -10.800 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.560 8.328 -7.210 1.00 0.00 H new ATOM 0 HH TYR A 11 6.429 8.771 -9.192 1.00 0.00 H new ATOM 139 N GLY A 12 -1.498 4.917 -6.357 1.00 0.00 N ATOM 140 CA GLY A 12 -2.466 4.195 -5.552 1.00 0.00 C ATOM 141 C GLY A 12 -2.975 2.944 -6.241 1.00 0.00 C ATOM 142 O GLY A 12 -3.720 3.024 -7.218 1.00 0.00 O ATOM 0 H GLY A 12 -1.891 5.415 -7.156 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.011 3.922 -4.600 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.308 4.850 -5.327 1.00 0.00 H new ATOM 146 N CYS A 13 -2.571 1.785 -5.732 1.00 0.00 N ATOM 147 CA CYS A 13 -2.988 0.511 -6.305 1.00 0.00 C ATOM 148 C CYS A 13 -4.478 0.525 -6.636 1.00 0.00 C ATOM 149 O CYS A 13 -5.322 0.580 -5.742 1.00 0.00 O ATOM 150 CB CYS A 13 -2.681 -0.633 -5.337 1.00 0.00 C ATOM 151 SG CYS A 13 -3.515 -2.199 -5.748 1.00 0.00 S ATOM 0 H CYS A 13 -1.955 1.702 -4.923 1.00 0.00 H new ATOM 0 HA CYS A 13 -2.429 0.357 -7.228 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -1.604 -0.801 -5.320 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -2.973 -0.332 -4.331 1.00 0.00 H new ATOM 156 N SER A 14 -4.792 0.476 -7.927 1.00 0.00 N ATOM 157 CA SER A 14 -6.179 0.487 -8.377 1.00 0.00 C ATOM 158 C SER A 14 -6.705 -0.934 -8.550 1.00 0.00 C ATOM 159 O SER A 14 -7.410 -1.233 -9.513 1.00 0.00 O ATOM 160 CB SER A 14 -6.304 1.254 -9.695 1.00 0.00 C ATOM 161 OG SER A 14 -7.641 1.663 -9.922 1.00 0.00 O ATOM 0 H SER A 14 -4.105 0.428 -8.679 1.00 0.00 H new ATOM 0 HA SER A 14 -6.778 0.987 -7.616 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.652 2.127 -9.675 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.968 0.624 -10.519 1.00 0.00 H new ATOM 0 HG SER A 14 -8.231 0.881 -9.898 1.00 0.00 H new ATOM 167 N GLU A 15 -6.356 -1.807 -7.610 1.00 0.00 N ATOM 168 CA GLU A 15 -6.792 -3.197 -7.659 1.00 0.00 C ATOM 169 C GLU A 15 -7.444 -3.610 -6.342 1.00 0.00 C ATOM 170 O GLU A 15 -8.534 -4.182 -6.328 1.00 0.00 O ATOM 171 CB GLU A 15 -5.607 -4.116 -7.965 1.00 0.00 C ATOM 172 CG GLU A 15 -5.381 -4.344 -9.450 1.00 0.00 C ATOM 173 CD GLU A 15 -6.662 -4.670 -10.192 1.00 0.00 C ATOM 174 OE1 GLU A 15 -7.080 -5.847 -10.162 1.00 0.00 O ATOM 175 OE2 GLU A 15 -7.245 -3.751 -10.803 1.00 0.00 O ATOM 0 H GLU A 15 -5.773 -1.576 -6.806 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.531 -3.291 -8.455 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.704 -3.687 -7.530 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.769 -5.078 -7.479 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.930 -3.453 -9.886 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.670 -5.159 -9.584 1.00 0.00 H new ATOM 182 N CYS A 16 -6.767 -3.317 -5.237 1.00 0.00 N ATOM 183 CA CYS A 16 -7.278 -3.657 -3.914 1.00 0.00 C ATOM 184 C CYS A 16 -7.548 -2.398 -3.095 1.00 0.00 C ATOM 185 O CYS A 16 -8.582 -2.282 -2.439 1.00 0.00 O ATOM 186 CB CYS A 16 -6.283 -4.555 -3.176 1.00 0.00 C ATOM 187 SG CYS A 16 -4.741 -3.715 -2.691 1.00 0.00 S ATOM 0 H CYS A 16 -5.863 -2.845 -5.231 1.00 0.00 H new ATOM 0 HA CYS A 16 -8.218 -4.195 -4.042 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.763 -4.954 -2.283 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -6.036 -5.405 -3.812 1.00 0.00 H new ATOM 192 N GLY A 17 -6.610 -1.457 -3.139 1.00 0.00 N ATOM 193 CA GLY A 17 -6.766 -0.220 -2.397 1.00 0.00 C ATOM 194 C GLY A 17 -5.569 0.083 -1.518 1.00 0.00 C ATOM 195 O GLY A 17 -5.662 0.035 -0.291 1.00 0.00 O ATOM 0 H GLY A 17 -5.745 -1.529 -3.675 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.917 0.603 -3.096 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.661 -0.281 -1.778 1.00 0.00 H new ATOM 199 N LYS A 18 -4.440 0.396 -2.145 1.00 0.00 N ATOM 200 CA LYS A 18 -3.218 0.707 -1.412 1.00 0.00 C ATOM 201 C LYS A 18 -2.581 1.990 -1.938 1.00 0.00 C ATOM 202 O LYS A 18 -3.005 2.532 -2.957 1.00 0.00 O ATOM 203 CB LYS A 18 -2.224 -0.451 -1.521 1.00 0.00 C ATOM 204 CG LYS A 18 -2.636 -1.682 -0.734 1.00 0.00 C ATOM 205 CD LYS A 18 -2.122 -1.628 0.695 1.00 0.00 C ATOM 206 CE LYS A 18 -3.087 -0.886 1.607 1.00 0.00 C ATOM 207 NZ LYS A 18 -2.935 -1.300 3.029 1.00 0.00 N ATOM 0 H LYS A 18 -4.346 0.441 -3.160 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.480 0.855 -0.364 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.109 -0.723 -2.570 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.248 -0.115 -1.170 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.723 -1.764 -0.728 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.252 -2.575 -1.226 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.974 -2.641 1.068 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.150 -1.136 0.715 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.916 0.187 1.521 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.110 -1.073 1.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.610 -0.772 3.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.123 -2.319 3.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.966 -1.099 3.348 1.00 0.00 H new ATOM 221 N ALA A 19 -1.559 2.468 -1.235 1.00 0.00 N ATOM 222 CA ALA A 19 -0.861 3.684 -1.634 1.00 0.00 C ATOM 223 C ALA A 19 0.648 3.527 -1.480 1.00 0.00 C ATOM 224 O ALA A 19 1.122 2.851 -0.567 1.00 0.00 O ATOM 225 CB ALA A 19 -1.356 4.869 -0.816 1.00 0.00 C ATOM 0 H ALA A 19 -1.196 2.032 -0.387 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.075 3.867 -2.687 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.826 5.770 -1.124 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.425 5.003 -0.979 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.171 4.683 0.242 1.00 0.00 H new ATOM 231 N PHE A 20 1.398 4.155 -2.379 1.00 0.00 N ATOM 232 CA PHE A 20 2.854 4.083 -2.344 1.00 0.00 C ATOM 233 C PHE A 20 3.474 5.417 -2.750 1.00 0.00 C ATOM 234 O PHE A 20 2.922 6.146 -3.574 1.00 0.00 O ATOM 235 CB PHE A 20 3.354 2.973 -3.271 1.00 0.00 C ATOM 236 CG PHE A 20 2.598 1.684 -3.123 1.00 0.00 C ATOM 237 CD1 PHE A 20 1.422 1.470 -3.824 1.00 0.00 C ATOM 238 CD2 PHE A 20 3.063 0.685 -2.282 1.00 0.00 C ATOM 239 CE1 PHE A 20 0.724 0.285 -3.691 1.00 0.00 C ATOM 240 CE2 PHE A 20 2.369 -0.502 -2.145 1.00 0.00 C ATOM 241 CZ PHE A 20 1.198 -0.703 -2.849 1.00 0.00 C ATOM 0 H PHE A 20 1.022 4.719 -3.141 1.00 0.00 H new ATOM 0 HA PHE A 20 3.157 3.857 -1.322 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.280 3.312 -4.304 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.410 2.791 -3.071 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.046 2.239 -4.483 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.978 0.836 -1.728 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.191 0.131 -4.244 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.742 -1.273 -1.487 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.654 -1.630 -2.742 1.00 0.00 H new ATOM 251 N ARG A 21 4.625 5.730 -2.163 1.00 0.00 N ATOM 252 CA ARG A 21 5.320 6.977 -2.461 1.00 0.00 C ATOM 253 C ARG A 21 6.402 6.757 -3.515 1.00 0.00 C ATOM 254 O ARG A 21 7.302 7.581 -3.676 1.00 0.00 O ATOM 255 CB ARG A 21 5.943 7.555 -1.189 1.00 0.00 C ATOM 256 CG ARG A 21 6.283 9.033 -1.296 1.00 0.00 C ATOM 257 CD ARG A 21 7.293 9.450 -0.237 1.00 0.00 C ATOM 258 NE ARG A 21 6.670 9.634 1.070 1.00 0.00 N ATOM 259 CZ ARG A 21 7.351 9.667 2.211 1.00 0.00 C ATOM 260 NH1 ARG A 21 8.669 9.528 2.203 1.00 0.00 N ATOM 261 NH2 ARG A 21 6.713 9.839 3.361 1.00 0.00 N ATOM 0 H ARG A 21 5.096 5.138 -1.479 1.00 0.00 H new ATOM 0 HA ARG A 21 4.591 7.685 -2.855 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.253 7.408 -0.358 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.850 6.998 -0.953 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.685 9.244 -2.287 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.375 9.625 -1.187 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.074 8.693 -0.163 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.776 10.378 -0.542 1.00 0.00 H new ATOM 0 HE ARG A 21 5.657 9.743 1.110 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.162 9.395 1.320 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.190 9.554 3.080 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.699 9.946 3.370 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.237 9.864 4.236 1.00 0.00 H new ATOM 275 N SER A 22 6.307 5.641 -4.230 1.00 0.00 N ATOM 276 CA SER A 22 7.279 5.311 -5.266 1.00 0.00 C ATOM 277 C SER A 22 6.704 4.292 -6.245 1.00 0.00 C ATOM 278 O SER A 22 6.317 3.190 -5.857 1.00 0.00 O ATOM 279 CB SER A 22 8.561 4.763 -4.635 1.00 0.00 C ATOM 280 OG SER A 22 9.613 4.712 -5.582 1.00 0.00 O ATOM 0 H SER A 22 5.567 4.950 -4.111 1.00 0.00 H new ATOM 0 HA SER A 22 7.514 6.223 -5.815 1.00 0.00 H new ATOM 0 HB2 SER A 22 8.854 5.392 -3.794 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.377 3.765 -4.237 1.00 0.00 H new ATOM 0 HG SER A 22 10.421 4.360 -5.154 1.00 0.00 H new ATOM 286 N LYS A 23 6.653 4.669 -7.518 1.00 0.00 N ATOM 287 CA LYS A 23 6.128 3.790 -8.556 1.00 0.00 C ATOM 288 C LYS A 23 6.540 2.343 -8.304 1.00 0.00 C ATOM 289 O LYS A 23 5.721 1.429 -8.398 1.00 0.00 O ATOM 290 CB LYS A 23 6.622 4.240 -9.933 1.00 0.00 C ATOM 291 CG LYS A 23 5.998 3.471 -11.085 1.00 0.00 C ATOM 292 CD LYS A 23 6.925 3.418 -12.287 1.00 0.00 C ATOM 293 CE LYS A 23 8.046 2.410 -12.083 1.00 0.00 C ATOM 294 NZ LYS A 23 9.227 3.022 -11.413 1.00 0.00 N ATOM 0 H LYS A 23 6.969 5.578 -7.856 1.00 0.00 H new ATOM 0 HA LYS A 23 5.040 3.849 -8.530 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.408 5.301 -10.057 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.705 4.126 -9.976 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.762 2.457 -10.761 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.057 3.942 -11.370 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.354 3.153 -13.177 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.350 4.406 -12.464 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.680 1.576 -11.484 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.347 2.001 -13.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.099 2.684 -11.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.174 4.058 -11.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.234 2.753 -10.408 1.00 0.00 H new ATOM 308 N SER A 24 7.814 2.143 -7.983 1.00 0.00 N ATOM 309 CA SER A 24 8.336 0.807 -7.719 1.00 0.00 C ATOM 310 C SER A 24 7.566 0.138 -6.585 1.00 0.00 C ATOM 311 O SER A 24 6.931 -0.900 -6.778 1.00 0.00 O ATOM 312 CB SER A 24 9.823 0.877 -7.369 1.00 0.00 C ATOM 313 OG SER A 24 10.474 -0.348 -7.661 1.00 0.00 O ATOM 0 H SER A 24 8.504 2.889 -7.899 1.00 0.00 H new ATOM 0 HA SER A 24 8.211 0.210 -8.622 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.294 1.685 -7.929 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.940 1.112 -6.311 1.00 0.00 H new ATOM 0 HG SER A 24 11.424 -0.277 -7.430 1.00 0.00 H new ATOM 319 N TYR A 25 7.627 0.738 -5.402 1.00 0.00 N ATOM 320 CA TYR A 25 6.938 0.200 -4.235 1.00 0.00 C ATOM 321 C TYR A 25 5.620 -0.456 -4.634 1.00 0.00 C ATOM 322 O TYR A 25 5.281 -1.538 -4.153 1.00 0.00 O ATOM 323 CB TYR A 25 6.680 1.309 -3.213 1.00 0.00 C ATOM 324 CG TYR A 25 7.831 1.534 -2.259 1.00 0.00 C ATOM 325 CD1 TYR A 25 9.110 1.797 -2.733 1.00 0.00 C ATOM 326 CD2 TYR A 25 7.640 1.485 -0.884 1.00 0.00 C ATOM 327 CE1 TYR A 25 10.165 2.003 -1.866 1.00 0.00 C ATOM 328 CE2 TYR A 25 8.688 1.691 -0.009 1.00 0.00 C ATOM 329 CZ TYR A 25 9.950 1.949 -0.504 1.00 0.00 C ATOM 330 OH TYR A 25 10.998 2.154 0.363 1.00 0.00 O ATOM 0 H TYR A 25 8.147 1.598 -5.225 1.00 0.00 H new ATOM 0 HA TYR A 25 7.578 -0.559 -3.785 1.00 0.00 H new ATOM 0 HB2 TYR A 25 6.472 2.238 -3.743 1.00 0.00 H new ATOM 0 HB3 TYR A 25 5.787 1.062 -2.639 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.282 1.841 -3.798 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.654 1.282 -0.492 1.00 0.00 H new ATOM 0 HE1 TYR A 25 11.153 2.205 -2.252 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.521 1.650 1.057 1.00 0.00 H new ATOM 0 HH TYR A 25 10.677 2.083 1.286 1.00 0.00 H new ATOM 340 N LEU A 26 4.881 0.206 -5.518 1.00 0.00 N ATOM 341 CA LEU A 26 3.600 -0.311 -5.985 1.00 0.00 C ATOM 342 C LEU A 26 3.769 -1.683 -6.630 1.00 0.00 C ATOM 343 O LEU A 26 3.136 -2.656 -6.219 1.00 0.00 O ATOM 344 CB LEU A 26 2.968 0.660 -6.983 1.00 0.00 C ATOM 345 CG LEU A 26 1.659 0.203 -7.628 1.00 0.00 C ATOM 346 CD1 LEU A 26 0.582 0.012 -6.571 1.00 0.00 C ATOM 347 CD2 LEU A 26 1.205 1.204 -8.680 1.00 0.00 C ATOM 0 H LEU A 26 5.148 1.102 -5.926 1.00 0.00 H new ATOM 0 HA LEU A 26 2.942 -0.414 -5.122 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.788 1.607 -6.474 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.691 0.857 -7.775 1.00 0.00 H new ATOM 0 HG LEU A 26 1.832 -0.755 -8.118 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.342 -0.313 -7.048 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.905 -0.743 -5.854 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.410 0.955 -6.052 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.272 0.863 -9.128 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.049 2.177 -8.213 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.969 1.291 -9.453 1.00 0.00 H new ATOM 359 N ILE A 27 4.629 -1.753 -7.641 1.00 0.00 N ATOM 360 CA ILE A 27 4.884 -3.006 -8.340 1.00 0.00 C ATOM 361 C ILE A 27 5.127 -4.146 -7.356 1.00 0.00 C ATOM 362 O ILE A 27 4.391 -5.133 -7.340 1.00 0.00 O ATOM 363 CB ILE A 27 6.097 -2.889 -9.282 1.00 0.00 C ATOM 364 CG1 ILE A 27 5.846 -1.812 -10.340 1.00 0.00 C ATOM 365 CG2 ILE A 27 6.388 -4.229 -9.941 1.00 0.00 C ATOM 366 CD1 ILE A 27 7.103 -1.354 -11.046 1.00 0.00 C ATOM 0 H ILE A 27 5.160 -0.957 -7.994 1.00 0.00 H new ATOM 0 HA ILE A 27 3.995 -3.223 -8.931 1.00 0.00 H new ATOM 0 HB ILE A 27 6.968 -2.599 -8.694 1.00 0.00 H new ATOM 0 HG12 ILE A 27 5.144 -2.197 -11.079 1.00 0.00 H new ATOM 0 HG13 ILE A 27 5.371 -0.953 -9.867 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.248 -4.130 -10.604 1.00 0.00 H new ATOM 0 HG22 ILE A 27 6.605 -4.972 -9.174 1.00 0.00 H new ATOM 0 HG23 ILE A 27 5.520 -4.547 -10.518 1.00 0.00 H new ATOM 0 HD11 ILE A 27 6.850 -0.591 -11.782 1.00 0.00 H new ATOM 0 HD12 ILE A 27 7.799 -0.939 -10.317 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.568 -2.202 -11.549 1.00 0.00 H new ATOM 378 N ILE A 28 6.163 -4.001 -6.537 1.00 0.00 N ATOM 379 CA ILE A 28 6.502 -5.017 -5.548 1.00 0.00 C ATOM 380 C ILE A 28 5.254 -5.526 -4.834 1.00 0.00 C ATOM 381 O ILE A 28 5.235 -6.643 -4.315 1.00 0.00 O ATOM 382 CB ILE A 28 7.493 -4.476 -4.502 1.00 0.00 C ATOM 383 CG1 ILE A 28 8.763 -3.966 -5.186 1.00 0.00 C ATOM 384 CG2 ILE A 28 7.830 -5.554 -3.483 1.00 0.00 C ATOM 385 CD1 ILE A 28 8.689 -2.510 -5.590 1.00 0.00 C ATOM 0 H ILE A 28 6.782 -3.190 -6.539 1.00 0.00 H new ATOM 0 HA ILE A 28 6.970 -5.840 -6.088 1.00 0.00 H new ATOM 0 HB ILE A 28 7.025 -3.642 -3.978 1.00 0.00 H new ATOM 0 HG12 ILE A 28 9.609 -4.105 -4.513 1.00 0.00 H new ATOM 0 HG13 ILE A 28 8.957 -4.571 -6.072 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.532 -5.155 -2.750 1.00 0.00 H new ATOM 0 HG22 ILE A 28 6.919 -5.873 -2.977 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.281 -6.407 -3.991 1.00 0.00 H new ATOM 0 HD11 ILE A 28 9.624 -2.217 -6.069 1.00 0.00 H new ATOM 0 HD12 ILE A 28 7.864 -2.367 -6.288 1.00 0.00 H new ATOM 0 HD13 ILE A 28 8.526 -1.895 -4.705 1.00 0.00 H new ATOM 397 N HIS A 29 4.212 -4.701 -4.814 1.00 0.00 N ATOM 398 CA HIS A 29 2.959 -5.069 -4.165 1.00 0.00 C ATOM 399 C HIS A 29 1.970 -5.639 -5.178 1.00 0.00 C ATOM 400 O HIS A 29 1.166 -6.512 -4.851 1.00 0.00 O ATOM 401 CB HIS A 29 2.346 -3.854 -3.466 1.00 0.00 C ATOM 402 CG HIS A 29 0.866 -3.963 -3.264 1.00 0.00 C ATOM 403 ND1 HIS A 29 0.299 -4.584 -2.172 1.00 0.00 N ATOM 404 CD2 HIS A 29 -0.165 -3.523 -4.022 1.00 0.00 C ATOM 405 CE1 HIS A 29 -1.017 -4.524 -2.267 1.00 0.00 C ATOM 406 NE2 HIS A 29 -1.325 -3.884 -3.381 1.00 0.00 N ATOM 0 H HIS A 29 4.211 -3.774 -5.239 1.00 0.00 H new ATOM 0 HA HIS A 29 3.175 -5.836 -3.422 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.828 -3.721 -2.497 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.559 -2.961 -4.054 1.00 0.00 H new ATOM 0 HD1 HIS A 29 0.815 -5.022 -1.409 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -0.090 -2.988 -4.957 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.721 -4.929 -1.555 1.00 0.00 H new ATOM 414 N MET A 30 2.037 -5.141 -6.408 1.00 0.00 N ATOM 415 CA MET A 30 1.148 -5.602 -7.468 1.00 0.00 C ATOM 416 C MET A 30 1.507 -7.020 -7.901 1.00 0.00 C ATOM 417 O MET A 30 0.637 -7.800 -8.288 1.00 0.00 O ATOM 418 CB MET A 30 1.218 -4.656 -8.669 1.00 0.00 C ATOM 419 CG MET A 30 0.443 -3.364 -8.471 1.00 0.00 C ATOM 420 SD MET A 30 -0.019 -2.585 -10.030 1.00 0.00 S ATOM 421 CE MET A 30 -1.545 -3.446 -10.400 1.00 0.00 C ATOM 0 H MET A 30 2.697 -4.419 -6.695 1.00 0.00 H new ATOM 0 HA MET A 30 0.130 -5.607 -7.078 1.00 0.00 H new ATOM 0 HB2 MET A 30 2.262 -4.416 -8.872 1.00 0.00 H new ATOM 0 HB3 MET A 30 0.832 -5.170 -9.549 1.00 0.00 H new ATOM 0 HG2 MET A 30 -0.457 -3.570 -7.892 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.046 -2.669 -7.887 1.00 0.00 H new ATOM 0 HE1 MET A 30 -1.954 -3.074 -11.339 1.00 0.00 H new ATOM 0 HE2 MET A 30 -1.348 -4.514 -10.488 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.263 -3.275 -9.598 1.00 0.00 H new ATOM 431 N ARG A 31 2.794 -7.346 -7.832 1.00 0.00 N ATOM 432 CA ARG A 31 3.267 -8.670 -8.218 1.00 0.00 C ATOM 433 C ARG A 31 2.322 -9.755 -7.710 1.00 0.00 C ATOM 434 O ARG A 31 2.029 -10.719 -8.418 1.00 0.00 O ATOM 435 CB ARG A 31 4.676 -8.910 -7.673 1.00 0.00 C ATOM 436 CG ARG A 31 4.719 -9.130 -6.170 1.00 0.00 C ATOM 437 CD ARG A 31 6.106 -9.547 -5.706 1.00 0.00 C ATOM 438 NE ARG A 31 6.145 -9.819 -4.272 1.00 0.00 N ATOM 439 CZ ARG A 31 7.116 -10.505 -3.680 1.00 0.00 C ATOM 440 NH1 ARG A 31 8.124 -10.985 -4.396 1.00 0.00 N ATOM 441 NH2 ARG A 31 7.082 -10.711 -2.370 1.00 0.00 N ATOM 0 H ARG A 31 3.527 -6.712 -7.513 1.00 0.00 H new ATOM 0 HA ARG A 31 3.293 -8.716 -9.307 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.106 -9.779 -8.171 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.304 -8.055 -7.925 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.424 -8.214 -5.659 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.996 -9.897 -5.893 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.419 -10.437 -6.252 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.820 -8.759 -5.945 1.00 0.00 H new ATOM 0 HE ARG A 31 5.385 -9.463 -3.693 1.00 0.00 H new ATOM 0 HH11 ARG A 31 8.155 -10.828 -5.403 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.869 -11.512 -3.939 1.00 0.00 H new ATOM 0 HH21 ARG A 31 6.309 -10.342 -1.816 1.00 0.00 H new ATOM 0 HH22 ARG A 31 7.829 -11.238 -1.917 1.00 0.00 H new ATOM 455 N THR A 32 1.849 -9.592 -6.479 1.00 0.00 N ATOM 456 CA THR A 32 0.939 -10.557 -5.875 1.00 0.00 C ATOM 457 C THR A 32 -0.371 -10.638 -6.651 1.00 0.00 C ATOM 458 O THR A 32 -0.819 -11.723 -7.021 1.00 0.00 O ATOM 459 CB THR A 32 0.633 -10.200 -4.409 1.00 0.00 C ATOM 460 OG1 THR A 32 -0.122 -8.985 -4.348 1.00 0.00 O ATOM 461 CG2 THR A 32 1.918 -10.045 -3.610 1.00 0.00 C ATOM 0 H THR A 32 2.081 -8.800 -5.880 1.00 0.00 H new ATOM 0 HA THR A 32 1.438 -11.525 -5.908 1.00 0.00 H new ATOM 0 HB THR A 32 0.050 -11.012 -3.975 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.458 -8.228 -4.575 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.676 -9.793 -2.577 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.476 -10.981 -3.634 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.524 -9.250 -4.045 1.00 0.00 H new ATOM 469 N HIS A 33 -0.980 -9.482 -6.895 1.00 0.00 N ATOM 470 CA HIS A 33 -2.240 -9.422 -7.629 1.00 0.00 C ATOM 471 C HIS A 33 -2.125 -10.149 -8.965 1.00 0.00 C ATOM 472 O HIS A 33 -3.002 -10.928 -9.339 1.00 0.00 O ATOM 473 CB HIS A 33 -2.651 -7.968 -7.860 1.00 0.00 C ATOM 474 CG HIS A 33 -2.909 -7.210 -6.594 1.00 0.00 C ATOM 475 ND1 HIS A 33 -3.540 -7.765 -5.500 1.00 0.00 N ATOM 476 CD2 HIS A 33 -2.616 -5.934 -6.250 1.00 0.00 C ATOM 477 CE1 HIS A 33 -3.626 -6.862 -4.539 1.00 0.00 C ATOM 478 NE2 HIS A 33 -3.071 -5.743 -4.969 1.00 0.00 N ATOM 0 H HIS A 33 -0.622 -8.575 -6.596 1.00 0.00 H new ATOM 0 HA HIS A 33 -3.005 -9.917 -7.031 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.866 -7.462 -8.423 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -3.550 -7.947 -8.476 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -3.886 -8.723 -5.442 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.117 -5.202 -6.868 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -4.074 -7.013 -3.568 1.00 0.00 H new ATOM 486 N THR A 34 -1.037 -9.888 -9.684 1.00 0.00 N ATOM 487 CA THR A 34 -0.808 -10.515 -10.979 1.00 0.00 C ATOM 488 C THR A 34 0.631 -11.000 -11.109 1.00 0.00 C ATOM 489 O THR A 34 1.573 -10.273 -10.796 1.00 0.00 O ATOM 490 CB THR A 34 -1.117 -9.545 -12.136 1.00 0.00 C ATOM 491 OG1 THR A 34 -0.918 -10.202 -13.392 1.00 0.00 O ATOM 492 CG2 THR A 34 -0.231 -8.310 -12.057 1.00 0.00 C ATOM 0 H THR A 34 -0.301 -9.246 -9.390 1.00 0.00 H new ATOM 0 HA THR A 34 -1.483 -11.369 -11.040 1.00 0.00 H new ATOM 0 HB THR A 34 -2.158 -9.232 -12.052 1.00 0.00 H new ATOM 0 HG1 THR A 34 -1.118 -9.580 -14.122 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.467 -7.640 -12.884 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.406 -7.796 -11.112 1.00 0.00 H new ATOM 0 HG23 THR A 34 0.816 -8.608 -12.119 1.00 0.00 H new ATOM 500 N GLY A 35 0.795 -12.235 -11.574 1.00 0.00 N ATOM 501 CA GLY A 35 2.124 -12.796 -11.737 1.00 0.00 C ATOM 502 C GLY A 35 2.124 -14.311 -11.687 1.00 0.00 C ATOM 503 O GLY A 35 2.696 -14.966 -12.557 1.00 0.00 O ATOM 0 H GLY A 35 0.032 -12.857 -11.841 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.540 -12.467 -12.689 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.777 -12.410 -10.954 1.00 0.00 H new ATOM 507 N GLU A 36 1.481 -14.868 -10.665 1.00 0.00 N ATOM 508 CA GLU A 36 1.412 -16.316 -10.505 1.00 0.00 C ATOM 509 C GLU A 36 0.876 -16.978 -11.771 1.00 0.00 C ATOM 510 O GLU A 36 -0.320 -16.919 -12.057 1.00 0.00 O ATOM 511 CB GLU A 36 0.525 -16.677 -9.312 1.00 0.00 C ATOM 512 CG GLU A 36 0.811 -18.054 -8.736 1.00 0.00 C ATOM 513 CD GLU A 36 0.034 -19.152 -9.435 1.00 0.00 C ATOM 514 OE1 GLU A 36 -1.127 -18.902 -9.823 1.00 0.00 O ATOM 515 OE2 GLU A 36 0.585 -20.261 -9.595 1.00 0.00 O ATOM 0 H GLU A 36 1.001 -14.339 -9.937 1.00 0.00 H new ATOM 0 HA GLU A 36 2.421 -16.685 -10.323 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.660 -15.930 -8.530 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.520 -16.631 -9.619 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.878 -18.262 -8.815 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.563 -18.058 -7.675 1.00 0.00 H new ATOM 522 N LYS A 37 1.769 -17.608 -12.526 1.00 0.00 N ATOM 523 CA LYS A 37 1.389 -18.283 -13.761 1.00 0.00 C ATOM 524 C LYS A 37 0.018 -18.939 -13.622 1.00 0.00 C ATOM 525 O LYS A 37 -0.355 -19.435 -12.559 1.00 0.00 O ATOM 526 CB LYS A 37 2.434 -19.337 -14.134 1.00 0.00 C ATOM 527 CG LYS A 37 3.627 -18.770 -14.884 1.00 0.00 C ATOM 528 CD LYS A 37 4.624 -19.858 -15.248 1.00 0.00 C ATOM 529 CE LYS A 37 5.425 -20.308 -14.036 1.00 0.00 C ATOM 530 NZ LYS A 37 6.579 -19.405 -13.767 1.00 0.00 N ATOM 0 H LYS A 37 2.763 -17.665 -12.304 1.00 0.00 H new ATOM 0 HA LYS A 37 1.337 -17.536 -14.553 1.00 0.00 H new ATOM 0 HB2 LYS A 37 2.785 -19.826 -13.225 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.961 -20.105 -14.747 1.00 0.00 H new ATOM 0 HG2 LYS A 37 3.285 -18.271 -15.790 1.00 0.00 H new ATOM 0 HG3 LYS A 37 4.119 -18.015 -14.270 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.095 -20.711 -15.673 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.302 -19.489 -16.017 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.775 -20.337 -13.161 1.00 0.00 H new ATOM 0 HE3 LYS A 37 5.788 -21.323 -14.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.099 -19.746 -12.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.213 -19.397 -14.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.231 -18.441 -13.588 1.00 0.00 H new ATOM 544 N PRO A 38 -0.750 -18.943 -14.722 1.00 0.00 N ATOM 545 CA PRO A 38 -2.090 -19.537 -14.748 1.00 0.00 C ATOM 546 C PRO A 38 -2.053 -21.058 -14.649 1.00 0.00 C ATOM 547 O PRO A 38 -3.094 -21.710 -14.575 1.00 0.00 O ATOM 548 CB PRO A 38 -2.644 -19.103 -16.108 1.00 0.00 C ATOM 549 CG PRO A 38 -1.438 -18.877 -16.953 1.00 0.00 C ATOM 550 CD PRO A 38 -0.370 -18.370 -16.024 1.00 0.00 C ATOM 0 HA PRO A 38 -2.696 -19.212 -13.902 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.289 -19.870 -16.536 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.242 -18.196 -16.021 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -1.125 -19.800 -17.441 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.644 -18.154 -17.742 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.622 -18.700 -16.334 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.349 -17.281 -15.993 1.00 0.00 H new ATOM 558 N SER A 39 -0.847 -21.617 -14.647 1.00 0.00 N ATOM 559 CA SER A 39 -0.674 -23.062 -14.560 1.00 0.00 C ATOM 560 C SER A 39 0.410 -23.420 -13.548 1.00 0.00 C ATOM 561 O SER A 39 1.583 -23.105 -13.741 1.00 0.00 O ATOM 562 CB SER A 39 -0.318 -23.638 -15.932 1.00 0.00 C ATOM 563 OG SER A 39 0.102 -24.987 -15.825 1.00 0.00 O ATOM 0 H SER A 39 0.025 -21.091 -14.705 1.00 0.00 H new ATOM 0 HA SER A 39 -1.616 -23.496 -14.225 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.183 -23.574 -16.592 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.474 -23.042 -16.386 1.00 0.00 H new ATOM 0 HG SER A 39 0.322 -25.333 -16.715 1.00 0.00 H new ATOM 569 N GLY A 40 0.007 -24.080 -12.466 1.00 0.00 N ATOM 570 CA GLY A 40 0.955 -24.470 -11.439 1.00 0.00 C ATOM 571 C GLY A 40 0.295 -25.212 -10.294 1.00 0.00 C ATOM 572 O GLY A 40 -0.870 -25.603 -10.368 1.00 0.00 O ATOM 0 H GLY A 40 -0.959 -24.351 -12.283 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.726 -25.101 -11.881 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.454 -23.581 -11.053 1.00 0.00 H new ATOM 576 N PRO A 41 1.051 -25.418 -9.204 1.00 0.00 N ATOM 577 CA PRO A 41 0.553 -26.122 -8.018 1.00 0.00 C ATOM 578 C PRO A 41 -0.493 -25.312 -7.260 1.00 0.00 C ATOM 579 O PRO A 41 -1.115 -25.808 -6.321 1.00 0.00 O ATOM 580 CB PRO A 41 1.810 -26.306 -7.163 1.00 0.00 C ATOM 581 CG PRO A 41 2.721 -25.206 -7.585 1.00 0.00 C ATOM 582 CD PRO A 41 2.447 -24.980 -9.047 1.00 0.00 C ATOM 0 HA PRO A 41 0.055 -27.057 -8.277 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.578 -26.242 -6.100 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.264 -27.282 -7.332 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.533 -24.300 -7.008 1.00 0.00 H new ATOM 0 HG3 PRO A 41 3.764 -25.478 -7.421 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.573 -23.933 -9.322 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.123 -25.559 -9.677 1.00 0.00 H new ATOM 590 N SER A 42 -0.682 -24.063 -7.674 1.00 0.00 N ATOM 591 CA SER A 42 -1.650 -23.183 -7.031 1.00 0.00 C ATOM 592 C SER A 42 -2.964 -23.163 -7.806 1.00 0.00 C ATOM 593 O SER A 42 -3.034 -22.639 -8.918 1.00 0.00 O ATOM 594 CB SER A 42 -1.089 -21.764 -6.921 1.00 0.00 C ATOM 595 OG SER A 42 -2.044 -20.879 -6.362 1.00 0.00 O ATOM 0 H SER A 42 -0.177 -23.638 -8.452 1.00 0.00 H new ATOM 0 HA SER A 42 -1.843 -23.568 -6.030 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.191 -21.772 -6.303 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.794 -21.409 -7.908 1.00 0.00 H new ATOM 0 HG SER A 42 -1.660 -19.979 -6.301 1.00 0.00 H new ATOM 601 N SER A 43 -4.004 -23.738 -7.211 1.00 0.00 N ATOM 602 CA SER A 43 -5.316 -23.791 -7.846 1.00 0.00 C ATOM 603 C SER A 43 -5.966 -22.411 -7.865 1.00 0.00 C ATOM 604 O SER A 43 -6.454 -21.928 -6.844 1.00 0.00 O ATOM 605 CB SER A 43 -6.221 -24.783 -7.113 1.00 0.00 C ATOM 606 OG SER A 43 -6.418 -24.395 -5.765 1.00 0.00 O ATOM 0 H SER A 43 -3.964 -24.174 -6.290 1.00 0.00 H new ATOM 0 HA SER A 43 -5.181 -24.125 -8.875 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.183 -24.846 -7.621 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.777 -25.778 -7.147 1.00 0.00 H new ATOM 0 HG SER A 43 -6.475 -23.418 -5.711 1.00 0.00 H new ATOM 612 N GLY A 44 -5.968 -21.781 -9.036 1.00 0.00 N ATOM 613 CA GLY A 44 -6.560 -20.462 -9.168 1.00 0.00 C ATOM 614 C GLY A 44 -5.555 -19.417 -9.609 1.00 0.00 C ATOM 615 O GLY A 44 -4.590 -19.171 -8.886 1.00 0.00 O ATOM 0 H GLY A 44 -5.570 -22.160 -9.895 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.376 -20.504 -9.889 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.994 -20.165 -8.213 1.00 0.00 H new TER 619 GLY A 44 HETATM 620 ZN ZN A 201 -3.120 -3.800 -4.173 1.00 0.00 ZN