USER MOD reduce.3.24.130724 H: found=0, std=0, add=303, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 301 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 31 HIS HE2 : A 31 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 35 HIS HE2 : A 35 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 46:sc= 1.02 USER MOD Single : A 6 SER OG : rot 47:sc= 0.801 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -140:sc= -0.0666 (180deg=-1.31!) USER MOD Single : A 13 TYR OH : rot 30:sc= -0.178 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -1.4 X(o=-1.4,f=-1.1) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc=-9.4e-05 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.0766 K(o=-0.077,f=-0.64) USER MOD Single : A 34 THR OG1 : rot -88:sc= 1.09 USER MOD Single : A 36 SER OG : rot 180:sc= -0.11 USER MOD Single : A 39 LYS NZ :NH3+ -144:sc= -0.144 (180deg=-1.5!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -26:sc= 0.341 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.178 20.479 5.473 1.00 0.00 N ATOM 2 CA GLY A 1 -13.565 20.184 4.191 1.00 0.00 C ATOM 3 C GLY A 1 -12.058 20.060 4.284 1.00 0.00 C ATOM 4 O GLY A 1 -11.535 19.430 5.203 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.209 20.554 5.356 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.960 19.716 6.146 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.805 21.379 5.837 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.979 19.255 3.799 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.819 20.971 3.481 1.00 0.00 H new ATOM 8 N SER A 2 -11.356 20.662 3.329 1.00 0.00 N ATOM 9 CA SER A 2 -9.899 20.612 3.304 1.00 0.00 C ATOM 10 C SER A 2 -9.311 22.006 3.102 1.00 0.00 C ATOM 11 O SER A 2 -9.807 22.790 2.293 1.00 0.00 O ATOM 12 CB SER A 2 -9.419 19.678 2.192 1.00 0.00 C ATOM 13 OG SER A 2 -9.952 18.375 2.355 1.00 0.00 O ATOM 0 H SER A 2 -11.773 21.190 2.562 1.00 0.00 H new ATOM 0 HA SER A 2 -9.557 20.228 4.265 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.717 20.078 1.223 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.330 19.632 2.196 1.00 0.00 H new ATOM 0 HG SER A 2 -9.632 17.798 1.631 1.00 0.00 H new ATOM 19 N SER A 3 -8.250 22.306 3.843 1.00 0.00 N ATOM 20 CA SER A 3 -7.595 23.606 3.750 1.00 0.00 C ATOM 21 C SER A 3 -6.077 23.451 3.750 1.00 0.00 C ATOM 22 O SER A 3 -5.539 22.502 4.318 1.00 0.00 O ATOM 23 CB SER A 3 -8.027 24.503 4.911 1.00 0.00 C ATOM 24 OG SER A 3 -7.773 23.882 6.158 1.00 0.00 O ATOM 0 H SER A 3 -7.825 21.667 4.515 1.00 0.00 H new ATOM 0 HA SER A 3 -7.896 24.070 2.811 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.494 25.452 4.859 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.090 24.729 4.824 1.00 0.00 H new ATOM 0 HG SER A 3 -8.057 24.477 6.883 1.00 0.00 H new ATOM 30 N GLY A 4 -5.392 24.392 3.108 1.00 0.00 N ATOM 31 CA GLY A 4 -3.943 24.343 3.045 1.00 0.00 C ATOM 32 C GLY A 4 -3.426 22.969 2.670 1.00 0.00 C ATOM 33 O GLY A 4 -2.474 22.471 3.272 1.00 0.00 O ATOM 0 H GLY A 4 -5.815 25.188 2.630 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.589 25.072 2.316 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.530 24.632 4.012 1.00 0.00 H new ATOM 37 N SER A 5 -4.054 22.353 1.673 1.00 0.00 N ATOM 38 CA SER A 5 -3.655 21.025 1.222 1.00 0.00 C ATOM 39 C SER A 5 -2.339 21.086 0.452 1.00 0.00 C ATOM 40 O SER A 5 -2.327 21.104 -0.778 1.00 0.00 O ATOM 41 CB SER A 5 -4.746 20.413 0.342 1.00 0.00 C ATOM 42 OG SER A 5 -4.944 21.181 -0.833 1.00 0.00 O ATOM 0 H SER A 5 -4.841 22.753 1.162 1.00 0.00 H new ATOM 0 HA SER A 5 -3.513 20.397 2.101 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.470 19.394 0.072 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.679 20.353 0.903 1.00 0.00 H new ATOM 0 HG SER A 5 -4.075 21.406 -1.227 1.00 0.00 H new ATOM 48 N SER A 6 -1.231 21.117 1.187 1.00 0.00 N ATOM 49 CA SER A 6 0.091 21.179 0.575 1.00 0.00 C ATOM 50 C SER A 6 0.446 19.851 -0.086 1.00 0.00 C ATOM 51 O SER A 6 1.140 19.020 0.498 1.00 0.00 O ATOM 52 CB SER A 6 1.145 21.538 1.624 1.00 0.00 C ATOM 53 OG SER A 6 1.184 20.571 2.660 1.00 0.00 O ATOM 0 H SER A 6 -1.223 21.100 2.207 1.00 0.00 H new ATOM 0 HA SER A 6 0.074 21.953 -0.192 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.124 21.608 1.151 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.924 22.518 2.046 1.00 0.00 H new ATOM 0 HG SER A 6 1.197 19.673 2.269 1.00 0.00 H new ATOM 59 N GLY A 7 -0.035 19.659 -1.311 1.00 0.00 N ATOM 60 CA GLY A 7 0.242 18.431 -2.033 1.00 0.00 C ATOM 61 C GLY A 7 -0.200 17.198 -1.270 1.00 0.00 C ATOM 62 O GLY A 7 0.594 16.287 -1.032 1.00 0.00 O ATOM 0 H GLY A 7 -0.611 20.332 -1.816 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.264 18.458 -2.998 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.311 18.365 -2.236 1.00 0.00 H new ATOM 66 N THR A 8 -1.472 17.168 -0.883 1.00 0.00 N ATOM 67 CA THR A 8 -2.018 16.039 -0.141 1.00 0.00 C ATOM 68 C THR A 8 -2.372 14.887 -1.073 1.00 0.00 C ATOM 69 O THR A 8 -2.104 13.725 -0.771 1.00 0.00 O ATOM 70 CB THR A 8 -3.273 16.445 0.655 1.00 0.00 C ATOM 71 OG1 THR A 8 -3.758 15.327 1.409 1.00 0.00 O ATOM 72 CG2 THR A 8 -4.366 16.947 -0.276 1.00 0.00 C ATOM 0 H THR A 8 -2.143 17.913 -1.071 1.00 0.00 H new ATOM 0 HA THR A 8 -1.244 15.714 0.555 1.00 0.00 H new ATOM 0 HB THR A 8 -2.999 17.251 1.336 1.00 0.00 H new ATOM 0 HG1 THR A 8 -4.555 15.594 1.913 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.242 17.228 0.309 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.004 17.815 -0.827 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.636 16.158 -0.978 1.00 0.00 H new ATOM 80 N GLY A 9 -2.978 15.216 -2.211 1.00 0.00 N ATOM 81 CA GLY A 9 -3.358 14.197 -3.171 1.00 0.00 C ATOM 82 C GLY A 9 -4.844 14.208 -3.470 1.00 0.00 C ATOM 83 O GLY A 9 -5.658 13.860 -2.614 1.00 0.00 O ATOM 0 H GLY A 9 -3.212 16.170 -2.484 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.803 14.349 -4.097 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -3.075 13.217 -2.787 1.00 0.00 H new ATOM 87 N GLU A 10 -5.199 14.610 -4.686 1.00 0.00 N ATOM 88 CA GLU A 10 -6.598 14.667 -5.094 1.00 0.00 C ATOM 89 C GLU A 10 -7.083 13.300 -5.567 1.00 0.00 C ATOM 90 O GLU A 10 -7.757 13.188 -6.591 1.00 0.00 O ATOM 91 CB GLU A 10 -6.786 15.701 -6.206 1.00 0.00 C ATOM 92 CG GLU A 10 -6.616 17.136 -5.738 1.00 0.00 C ATOM 93 CD GLU A 10 -7.297 18.134 -6.655 1.00 0.00 C ATOM 94 OE1 GLU A 10 -8.279 17.751 -7.325 1.00 0.00 O ATOM 95 OE2 GLU A 10 -6.847 19.298 -6.703 1.00 0.00 O ATOM 0 H GLU A 10 -4.537 14.901 -5.406 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.191 14.963 -4.229 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.069 15.500 -7.002 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.781 15.583 -6.636 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.023 17.237 -4.732 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.553 17.371 -5.677 1.00 0.00 H new ATOM 102 N LYS A 11 -6.735 12.262 -4.814 1.00 0.00 N ATOM 103 CA LYS A 11 -7.134 10.901 -5.154 1.00 0.00 C ATOM 104 C LYS A 11 -6.605 10.507 -6.529 1.00 0.00 C ATOM 105 O LYS A 11 -7.351 10.070 -7.406 1.00 0.00 O ATOM 106 CB LYS A 11 -8.659 10.773 -5.127 1.00 0.00 C ATOM 107 CG LYS A 11 -9.240 10.718 -3.724 1.00 0.00 C ATOM 108 CD LYS A 11 -10.757 10.789 -3.746 1.00 0.00 C ATOM 109 CE LYS A 11 -11.373 9.444 -4.099 1.00 0.00 C ATOM 110 NZ LYS A 11 -11.514 9.268 -5.571 1.00 0.00 N ATOM 0 H LYS A 11 -6.177 12.337 -3.963 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.706 10.227 -4.412 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.096 11.618 -5.659 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.949 9.872 -5.667 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.925 9.796 -3.235 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.845 11.544 -3.133 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -11.121 11.112 -2.771 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.077 11.538 -4.470 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.753 8.643 -3.695 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.352 9.358 -3.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.421 8.804 -5.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.486 10.198 -6.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.734 8.679 -5.927 1.00 0.00 H new ATOM 124 N PRO A 12 -5.287 10.662 -6.724 1.00 0.00 N ATOM 125 CA PRO A 12 -4.629 10.325 -7.990 1.00 0.00 C ATOM 126 C PRO A 12 -4.588 8.822 -8.241 1.00 0.00 C ATOM 127 O PRO A 12 -4.950 8.353 -9.320 1.00 0.00 O ATOM 128 CB PRO A 12 -3.212 10.876 -7.810 1.00 0.00 C ATOM 129 CG PRO A 12 -2.995 10.890 -6.337 1.00 0.00 C ATOM 130 CD PRO A 12 -4.338 11.177 -5.723 1.00 0.00 C ATOM 0 HA PRO A 12 -5.158 10.741 -8.847 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.476 10.248 -8.312 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.120 11.876 -8.233 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.604 9.933 -5.991 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.267 11.652 -6.057 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.456 10.676 -4.762 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.480 12.243 -5.546 1.00 0.00 H new ATOM 138 N TYR A 13 -4.147 8.071 -7.237 1.00 0.00 N ATOM 139 CA TYR A 13 -4.057 6.621 -7.350 1.00 0.00 C ATOM 140 C TYR A 13 -4.920 5.938 -6.293 1.00 0.00 C ATOM 141 O TYR A 13 -5.106 6.459 -5.194 1.00 0.00 O ATOM 142 CB TYR A 13 -2.604 6.166 -7.209 1.00 0.00 C ATOM 143 CG TYR A 13 -1.711 6.632 -8.337 1.00 0.00 C ATOM 144 CD1 TYR A 13 -1.156 7.906 -8.328 1.00 0.00 C ATOM 145 CD2 TYR A 13 -1.424 5.800 -9.412 1.00 0.00 C ATOM 146 CE1 TYR A 13 -0.340 8.337 -9.356 1.00 0.00 C ATOM 147 CE2 TYR A 13 -0.608 6.222 -10.443 1.00 0.00 C ATOM 148 CZ TYR A 13 -0.069 7.491 -10.411 1.00 0.00 C ATOM 149 OH TYR A 13 0.743 7.916 -11.438 1.00 0.00 O ATOM 0 H TYR A 13 -3.847 8.443 -6.336 1.00 0.00 H new ATOM 0 HA TYR A 13 -4.426 6.336 -8.335 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.206 6.537 -6.265 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.576 5.077 -7.161 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.366 8.571 -7.503 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.846 4.806 -9.442 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.083 9.330 -9.334 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.393 5.562 -11.270 1.00 0.00 H new ATOM 0 HH TYR A 13 1.394 8.563 -11.094 1.00 0.00 H new ATOM 159 N LYS A 14 -5.446 4.766 -6.635 1.00 0.00 N ATOM 160 CA LYS A 14 -6.289 4.008 -5.718 1.00 0.00 C ATOM 161 C LYS A 14 -6.223 2.516 -6.026 1.00 0.00 C ATOM 162 O LYS A 14 -6.363 2.102 -7.177 1.00 0.00 O ATOM 163 CB LYS A 14 -7.737 4.494 -5.803 1.00 0.00 C ATOM 164 CG LYS A 14 -8.704 3.676 -4.965 1.00 0.00 C ATOM 165 CD LYS A 14 -8.764 4.178 -3.533 1.00 0.00 C ATOM 166 CE LYS A 14 -9.642 5.414 -3.412 1.00 0.00 C ATOM 167 NZ LYS A 14 -11.072 5.059 -3.195 1.00 0.00 N ATOM 0 H LYS A 14 -5.303 4.321 -7.541 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.918 4.169 -4.706 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.781 5.535 -5.482 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.060 4.468 -6.844 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.699 3.720 -5.409 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.398 2.630 -4.972 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.151 3.391 -2.886 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.757 4.410 -3.185 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.291 6.029 -2.584 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.550 6.015 -4.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.638 5.928 -3.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.415 4.493 -3.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -11.164 4.507 -2.318 1.00 0.00 H new ATOM 181 N CYS A 15 -6.011 1.711 -4.990 1.00 0.00 N ATOM 182 CA CYS A 15 -5.928 0.265 -5.149 1.00 0.00 C ATOM 183 C CYS A 15 -7.319 -0.363 -5.156 1.00 0.00 C ATOM 184 O CYS A 15 -8.038 -0.314 -4.160 1.00 0.00 O ATOM 185 CB CYS A 15 -5.087 -0.346 -4.026 1.00 0.00 C ATOM 186 SG CYS A 15 -4.843 -2.145 -4.173 1.00 0.00 S ATOM 0 H CYS A 15 -5.894 2.037 -4.031 1.00 0.00 H new ATOM 0 HA CYS A 15 -5.450 0.058 -6.106 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -4.112 0.142 -4.010 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -5.566 -0.132 -3.071 1.00 0.00 H new ATOM 191 N ASN A 16 -7.690 -0.952 -6.288 1.00 0.00 N ATOM 192 CA ASN A 16 -8.995 -1.588 -6.426 1.00 0.00 C ATOM 193 C ASN A 16 -8.972 -3.005 -5.860 1.00 0.00 C ATOM 194 O ASN A 16 -9.576 -3.918 -6.421 1.00 0.00 O ATOM 195 CB ASN A 16 -9.416 -1.622 -7.897 1.00 0.00 C ATOM 196 CG ASN A 16 -8.864 -2.830 -8.629 1.00 0.00 C ATOM 197 OD1 ASN A 16 -9.614 -3.709 -9.053 1.00 0.00 O ATOM 198 ND2 ASN A 16 -7.545 -2.878 -8.780 1.00 0.00 N ATOM 0 H ASN A 16 -7.106 -1.002 -7.123 1.00 0.00 H new ATOM 0 HA ASN A 16 -9.719 -1.001 -5.861 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -10.504 -1.628 -7.961 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -9.073 -0.713 -8.391 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -7.115 -3.666 -9.264 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -6.962 -2.126 -8.412 1.00 0.00 H new ATOM 205 N GLU A 17 -8.270 -3.179 -4.744 1.00 0.00 N ATOM 206 CA GLU A 17 -8.169 -4.484 -4.102 1.00 0.00 C ATOM 207 C GLU A 17 -8.457 -4.379 -2.607 1.00 0.00 C ATOM 208 O GLU A 17 -9.235 -5.159 -2.057 1.00 0.00 O ATOM 209 CB GLU A 17 -6.776 -5.079 -4.323 1.00 0.00 C ATOM 210 CG GLU A 17 -6.387 -5.189 -5.788 1.00 0.00 C ATOM 211 CD GLU A 17 -5.257 -6.174 -6.019 1.00 0.00 C ATOM 212 OE1 GLU A 17 -5.529 -7.393 -6.043 1.00 0.00 O ATOM 213 OE2 GLU A 17 -4.102 -5.727 -6.175 1.00 0.00 O ATOM 0 H GLU A 17 -7.764 -2.433 -4.267 1.00 0.00 H new ATOM 0 HA GLU A 17 -8.913 -5.141 -4.553 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.041 -4.463 -3.806 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.737 -6.070 -3.870 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.257 -5.497 -6.369 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.089 -4.207 -6.156 1.00 0.00 H new ATOM 220 N CYS A 18 -7.825 -3.410 -1.955 1.00 0.00 N ATOM 221 CA CYS A 18 -8.011 -3.202 -0.524 1.00 0.00 C ATOM 222 C CYS A 18 -8.740 -1.888 -0.256 1.00 0.00 C ATOM 223 O CYS A 18 -9.724 -1.851 0.482 1.00 0.00 O ATOM 224 CB CYS A 18 -6.660 -3.203 0.193 1.00 0.00 C ATOM 225 SG CYS A 18 -5.443 -2.044 -0.510 1.00 0.00 S ATOM 0 H CYS A 18 -7.179 -2.755 -2.395 1.00 0.00 H new ATOM 0 HA CYS A 18 -8.619 -4.021 -0.139 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.818 -2.955 1.243 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.246 -4.211 0.163 1.00 0.00 H new ATOM 230 N GLY A 19 -8.250 -0.811 -0.862 1.00 0.00 N ATOM 231 CA GLY A 19 -8.866 0.490 -0.677 1.00 0.00 C ATOM 232 C GLY A 19 -7.873 1.543 -0.225 1.00 0.00 C ATOM 233 O GLY A 19 -8.208 2.424 0.566 1.00 0.00 O ATOM 0 H GLY A 19 -7.437 -0.816 -1.478 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.326 0.807 -1.613 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.665 0.409 0.060 1.00 0.00 H new ATOM 237 N LYS A 20 -6.647 1.451 -0.728 1.00 0.00 N ATOM 238 CA LYS A 20 -5.601 2.403 -0.372 1.00 0.00 C ATOM 239 C LYS A 20 -5.404 3.434 -1.478 1.00 0.00 C ATOM 240 O LYS A 20 -5.584 3.134 -2.658 1.00 0.00 O ATOM 241 CB LYS A 20 -4.285 1.669 -0.104 1.00 0.00 C ATOM 242 CG LYS A 20 -3.107 2.598 0.130 1.00 0.00 C ATOM 243 CD LYS A 20 -3.027 3.043 1.581 1.00 0.00 C ATOM 244 CE LYS A 20 -3.790 4.339 1.809 1.00 0.00 C ATOM 245 NZ LYS A 20 -3.559 4.885 3.175 1.00 0.00 N ATOM 0 H LYS A 20 -6.353 0.727 -1.384 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.911 2.923 0.534 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.408 1.026 0.767 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.062 1.019 -0.950 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.183 2.092 -0.148 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.198 3.472 -0.515 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.433 2.263 2.225 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.983 3.179 1.864 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.484 5.076 1.067 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.856 4.163 1.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.096 5.768 3.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.874 4.192 3.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.545 5.077 3.305 1.00 0.00 H new ATOM 259 N ALA A 21 -5.032 4.649 -1.089 1.00 0.00 N ATOM 260 CA ALA A 21 -4.807 5.723 -2.048 1.00 0.00 C ATOM 261 C ALA A 21 -3.432 6.354 -1.853 1.00 0.00 C ATOM 262 O ALA A 21 -3.095 6.805 -0.758 1.00 0.00 O ATOM 263 CB ALA A 21 -5.897 6.777 -1.925 1.00 0.00 C ATOM 0 H ALA A 21 -4.880 4.914 -0.116 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.842 5.296 -3.050 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.716 7.573 -2.647 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.867 6.322 -2.122 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.889 7.193 -0.917 1.00 0.00 H new ATOM 269 N PHE A 22 -2.643 6.384 -2.921 1.00 0.00 N ATOM 270 CA PHE A 22 -1.304 6.959 -2.867 1.00 0.00 C ATOM 271 C PHE A 22 -1.249 8.282 -3.626 1.00 0.00 C ATOM 272 O PHE A 22 -2.240 8.714 -4.214 1.00 0.00 O ATOM 273 CB PHE A 22 -0.281 5.981 -3.449 1.00 0.00 C ATOM 274 CG PHE A 22 -0.396 4.591 -2.892 1.00 0.00 C ATOM 275 CD1 PHE A 22 -1.518 3.818 -3.147 1.00 0.00 C ATOM 276 CD2 PHE A 22 0.617 4.057 -2.112 1.00 0.00 C ATOM 277 CE1 PHE A 22 -1.626 2.539 -2.634 1.00 0.00 C ATOM 278 CE2 PHE A 22 0.515 2.778 -1.597 1.00 0.00 C ATOM 279 CZ PHE A 22 -0.608 2.018 -1.859 1.00 0.00 C ATOM 0 H PHE A 22 -2.907 6.017 -3.835 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.060 7.149 -1.822 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.403 5.941 -4.531 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.723 6.360 -3.255 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.317 4.219 -3.753 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.497 4.647 -1.904 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -2.506 1.947 -2.839 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.312 2.374 -0.991 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.690 1.018 -1.459 1.00 0.00 H new ATOM 289 N ARG A 23 -0.083 8.919 -3.607 1.00 0.00 N ATOM 290 CA ARG A 23 0.102 10.193 -4.291 1.00 0.00 C ATOM 291 C ARG A 23 0.625 9.978 -5.709 1.00 0.00 C ATOM 292 O ARG A 23 0.244 10.692 -6.636 1.00 0.00 O ATOM 293 CB ARG A 23 1.071 11.081 -3.508 1.00 0.00 C ATOM 294 CG ARG A 23 2.445 10.459 -3.313 1.00 0.00 C ATOM 295 CD ARG A 23 3.476 11.502 -2.912 1.00 0.00 C ATOM 296 NE ARG A 23 3.862 12.351 -4.036 1.00 0.00 N ATOM 297 CZ ARG A 23 4.577 13.463 -3.906 1.00 0.00 C ATOM 298 NH1 ARG A 23 4.981 13.858 -2.706 1.00 0.00 N ATOM 299 NH2 ARG A 23 4.888 14.183 -4.976 1.00 0.00 N ATOM 0 H ARG A 23 0.747 8.574 -3.126 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.867 10.689 -4.350 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.182 12.031 -4.030 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.640 11.302 -2.532 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.390 9.686 -2.546 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.759 9.971 -4.236 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.072 12.122 -2.112 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.360 11.004 -2.514 1.00 0.00 H new ATOM 0 HE ARG A 23 3.566 12.075 -4.972 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.743 13.308 -1.881 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.530 14.712 -2.608 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.578 13.883 -5.900 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.437 15.037 -4.874 1.00 0.00 H new ATOM 313 N ALA A 24 1.499 8.990 -5.868 1.00 0.00 N ATOM 314 CA ALA A 24 2.073 8.680 -7.172 1.00 0.00 C ATOM 315 C ALA A 24 2.014 7.183 -7.456 1.00 0.00 C ATOM 316 O ALA A 24 1.692 6.387 -6.574 1.00 0.00 O ATOM 317 CB ALA A 24 3.508 9.178 -7.249 1.00 0.00 C ATOM 0 H ALA A 24 1.825 8.390 -5.110 1.00 0.00 H new ATOM 0 HA ALA A 24 1.482 9.191 -7.932 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.924 8.940 -8.228 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.527 10.258 -7.100 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.103 8.694 -6.475 1.00 0.00 H new ATOM 323 N ARG A 25 2.327 6.807 -8.691 1.00 0.00 N ATOM 324 CA ARG A 25 2.307 5.405 -9.091 1.00 0.00 C ATOM 325 C ARG A 25 3.373 4.612 -8.342 1.00 0.00 C ATOM 326 O ARG A 25 3.069 3.632 -7.662 1.00 0.00 O ATOM 327 CB ARG A 25 2.530 5.280 -10.600 1.00 0.00 C ATOM 328 CG ARG A 25 2.680 3.845 -11.076 1.00 0.00 C ATOM 329 CD ARG A 25 1.328 3.182 -11.283 1.00 0.00 C ATOM 330 NE ARG A 25 0.558 3.827 -12.342 1.00 0.00 N ATOM 331 CZ ARG A 25 -0.437 3.235 -12.994 1.00 0.00 C ATOM 332 NH1 ARG A 25 -0.781 1.990 -12.694 1.00 0.00 N ATOM 333 NH2 ARG A 25 -1.091 3.889 -13.946 1.00 0.00 N ATOM 0 H ARG A 25 2.598 7.453 -9.432 1.00 0.00 H new ATOM 0 HA ARG A 25 1.329 4.995 -8.840 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.692 5.741 -11.122 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.424 5.840 -10.874 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.242 3.827 -12.010 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.257 3.277 -10.346 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.474 2.131 -11.530 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.762 3.215 -10.352 1.00 0.00 H new ATOM 0 HE ARG A 25 0.797 4.786 -12.596 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.282 1.485 -11.962 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.545 1.537 -13.195 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.830 4.847 -14.178 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.855 3.433 -14.446 1.00 0.00 H new ATOM 347 N SER A 26 4.625 5.041 -8.472 1.00 0.00 N ATOM 348 CA SER A 26 5.736 4.368 -7.810 1.00 0.00 C ATOM 349 C SER A 26 5.382 4.025 -6.367 1.00 0.00 C ATOM 350 O SER A 26 5.786 2.984 -5.848 1.00 0.00 O ATOM 351 CB SER A 26 6.987 5.250 -7.845 1.00 0.00 C ATOM 352 OG SER A 26 6.919 6.270 -6.864 1.00 0.00 O ATOM 0 H SER A 26 4.895 5.851 -9.030 1.00 0.00 H new ATOM 0 HA SER A 26 5.938 3.440 -8.346 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.873 4.637 -7.676 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.093 5.698 -8.833 1.00 0.00 H new ATOM 0 HG SER A 26 7.730 6.818 -6.906 1.00 0.00 H new ATOM 358 N SER A 27 4.626 4.908 -5.723 1.00 0.00 N ATOM 359 CA SER A 27 4.220 4.702 -4.338 1.00 0.00 C ATOM 360 C SER A 27 3.212 3.561 -4.231 1.00 0.00 C ATOM 361 O SER A 27 3.188 2.829 -3.241 1.00 0.00 O ATOM 362 CB SER A 27 3.616 5.986 -3.765 1.00 0.00 C ATOM 363 OG SER A 27 3.841 6.076 -2.369 1.00 0.00 O ATOM 0 H SER A 27 4.282 5.774 -6.139 1.00 0.00 H new ATOM 0 HA SER A 27 5.106 4.436 -3.761 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.053 6.851 -4.264 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.545 6.009 -3.966 1.00 0.00 H new ATOM 0 HG SER A 27 3.447 6.906 -2.027 1.00 0.00 H new ATOM 369 N LEU A 28 2.382 3.416 -5.258 1.00 0.00 N ATOM 370 CA LEU A 28 1.371 2.364 -5.282 1.00 0.00 C ATOM 371 C LEU A 28 2.017 0.991 -5.434 1.00 0.00 C ATOM 372 O LEU A 28 1.595 0.022 -4.804 1.00 0.00 O ATOM 373 CB LEU A 28 0.383 2.605 -6.424 1.00 0.00 C ATOM 374 CG LEU A 28 -0.593 1.465 -6.719 1.00 0.00 C ATOM 375 CD1 LEU A 28 -1.634 1.355 -5.616 1.00 0.00 C ATOM 376 CD2 LEU A 28 -1.263 1.673 -8.069 1.00 0.00 C ATOM 0 H LEU A 28 2.389 4.013 -6.085 1.00 0.00 H new ATOM 0 HA LEU A 28 0.834 2.389 -4.334 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.194 3.501 -6.195 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.951 2.814 -7.331 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.032 0.531 -6.755 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.320 0.539 -5.843 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.138 1.158 -4.666 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.192 2.289 -5.548 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.954 0.853 -8.262 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.811 2.615 -8.062 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.504 1.701 -8.851 1.00 0.00 H new ATOM 388 N ALA A 29 3.045 0.917 -6.273 1.00 0.00 N ATOM 389 CA ALA A 29 3.753 -0.336 -6.505 1.00 0.00 C ATOM 390 C ALA A 29 4.242 -0.942 -5.194 1.00 0.00 C ATOM 391 O ALA A 29 3.835 -2.041 -4.817 1.00 0.00 O ATOM 392 CB ALA A 29 4.921 -0.115 -7.454 1.00 0.00 C ATOM 0 H ALA A 29 3.406 1.710 -6.803 1.00 0.00 H new ATOM 0 HA ALA A 29 3.056 -1.038 -6.962 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.440 -1.059 -7.618 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.550 0.265 -8.406 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.611 0.608 -7.019 1.00 0.00 H new ATOM 398 N ILE A 30 5.116 -0.218 -4.503 1.00 0.00 N ATOM 399 CA ILE A 30 5.660 -0.684 -3.234 1.00 0.00 C ATOM 400 C ILE A 30 4.607 -1.440 -2.430 1.00 0.00 C ATOM 401 O ILE A 30 4.907 -2.445 -1.784 1.00 0.00 O ATOM 402 CB ILE A 30 6.194 0.485 -2.386 1.00 0.00 C ATOM 403 CG1 ILE A 30 7.329 1.201 -3.123 1.00 0.00 C ATOM 404 CG2 ILE A 30 6.669 -0.016 -1.031 1.00 0.00 C ATOM 405 CD1 ILE A 30 7.536 2.629 -2.671 1.00 0.00 C ATOM 0 H ILE A 30 5.462 0.694 -4.801 1.00 0.00 H new ATOM 0 HA ILE A 30 6.485 -1.355 -3.472 1.00 0.00 H new ATOM 0 HB ILE A 30 5.384 1.196 -2.224 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.255 0.644 -2.977 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.118 1.194 -4.192 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.043 0.823 -0.444 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.838 -0.485 -0.505 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.467 -0.745 -1.172 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.355 3.074 -3.235 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.624 3.201 -2.843 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.778 2.643 -1.608 1.00 0.00 H new ATOM 417 N HIS A 31 3.372 -0.951 -2.475 1.00 0.00 N ATOM 418 CA HIS A 31 2.273 -1.582 -1.752 1.00 0.00 C ATOM 419 C HIS A 31 1.887 -2.908 -2.401 1.00 0.00 C ATOM 420 O HIS A 31 1.753 -3.926 -1.722 1.00 0.00 O ATOM 421 CB HIS A 31 1.062 -0.650 -1.708 1.00 0.00 C ATOM 422 CG HIS A 31 -0.241 -1.369 -1.536 1.00 0.00 C ATOM 423 ND1 HIS A 31 -0.529 -2.153 -0.439 1.00 0.00 N ATOM 424 CD2 HIS A 31 -1.337 -1.418 -2.329 1.00 0.00 C ATOM 425 CE1 HIS A 31 -1.744 -2.654 -0.565 1.00 0.00 C ATOM 426 NE2 HIS A 31 -2.257 -2.223 -1.703 1.00 0.00 N ATOM 0 H HIS A 31 3.107 -0.120 -3.004 1.00 0.00 H new ATOM 0 HA HIS A 31 2.606 -1.780 -0.733 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.188 0.058 -0.889 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.028 -0.068 -2.629 1.00 0.00 H new ATOM 0 HD1 HIS A 31 0.099 -2.320 0.347 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -1.464 -0.917 -3.277 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -2.235 -3.306 0.143 1.00 0.00 H new ATOM 434 N GLN A 32 1.708 -2.887 -3.718 1.00 0.00 N ATOM 435 CA GLN A 32 1.335 -4.087 -4.457 1.00 0.00 C ATOM 436 C GLN A 32 2.229 -5.262 -4.074 1.00 0.00 C ATOM 437 O GLN A 32 1.869 -6.421 -4.281 1.00 0.00 O ATOM 438 CB GLN A 32 1.425 -3.833 -5.963 1.00 0.00 C ATOM 439 CG GLN A 32 0.498 -2.731 -6.450 1.00 0.00 C ATOM 440 CD GLN A 32 -0.945 -3.185 -6.555 1.00 0.00 C ATOM 441 OE1 GLN A 32 -1.226 -4.298 -6.998 1.00 0.00 O ATOM 442 NE2 GLN A 32 -1.868 -2.323 -6.145 1.00 0.00 N ATOM 0 H GLN A 32 1.815 -2.053 -4.295 1.00 0.00 H new ATOM 0 HA GLN A 32 0.306 -4.337 -4.198 1.00 0.00 H new ATOM 0 HB2 GLN A 32 2.452 -3.572 -6.218 1.00 0.00 H new ATOM 0 HB3 GLN A 32 1.189 -4.756 -6.493 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.559 -1.883 -5.768 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.837 -2.381 -7.425 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.589 -1.410 -5.785 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -2.856 -2.573 -6.190 1.00 0.00 H new ATOM 451 N ALA A 33 3.394 -4.955 -3.515 1.00 0.00 N ATOM 452 CA ALA A 33 4.338 -5.985 -3.101 1.00 0.00 C ATOM 453 C ALA A 33 3.984 -6.533 -1.723 1.00 0.00 C ATOM 454 O ALA A 33 4.798 -7.194 -1.077 1.00 0.00 O ATOM 455 CB ALA A 33 5.756 -5.433 -3.103 1.00 0.00 C ATOM 0 H ALA A 33 3.707 -4.000 -3.338 1.00 0.00 H new ATOM 0 HA ALA A 33 4.278 -6.806 -3.816 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.451 -6.213 -2.792 1.00 0.00 H new ATOM 0 HB2 ALA A 33 6.014 -5.097 -4.107 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.820 -4.593 -2.411 1.00 0.00 H new ATOM 461 N THR A 34 2.763 -6.254 -1.276 1.00 0.00 N ATOM 462 CA THR A 34 2.302 -6.718 0.026 1.00 0.00 C ATOM 463 C THR A 34 1.134 -7.687 -0.117 1.00 0.00 C ATOM 464 O THR A 34 0.959 -8.590 0.702 1.00 0.00 O ATOM 465 CB THR A 34 1.870 -5.540 0.921 1.00 0.00 C ATOM 466 OG1 THR A 34 0.766 -4.850 0.323 1.00 0.00 O ATOM 467 CG2 THR A 34 3.023 -4.572 1.136 1.00 0.00 C ATOM 0 H THR A 34 2.076 -5.709 -1.797 1.00 0.00 H new ATOM 0 HA THR A 34 3.142 -7.232 0.494 1.00 0.00 H new ATOM 0 HB THR A 34 1.567 -5.940 1.889 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.103 -4.156 -0.281 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.694 -3.749 1.771 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.851 -5.093 1.618 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.352 -4.179 0.174 1.00 0.00 H new ATOM 475 N HIS A 35 0.337 -7.495 -1.164 1.00 0.00 N ATOM 476 CA HIS A 35 -0.815 -8.354 -1.415 1.00 0.00 C ATOM 477 C HIS A 35 -0.378 -9.802 -1.620 1.00 0.00 C ATOM 478 O HIS A 35 -0.952 -10.722 -1.038 1.00 0.00 O ATOM 479 CB HIS A 35 -1.586 -7.863 -2.640 1.00 0.00 C ATOM 480 CG HIS A 35 -2.548 -6.755 -2.338 1.00 0.00 C ATOM 481 ND1 HIS A 35 -3.724 -6.948 -1.644 1.00 0.00 N ATOM 482 CD2 HIS A 35 -2.502 -5.437 -2.639 1.00 0.00 C ATOM 483 CE1 HIS A 35 -4.360 -5.796 -1.532 1.00 0.00 C ATOM 484 NE2 HIS A 35 -3.640 -4.862 -2.127 1.00 0.00 N ATOM 0 H HIS A 35 0.468 -6.753 -1.851 1.00 0.00 H new ATOM 0 HA HIS A 35 -1.468 -8.310 -0.543 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -0.876 -7.521 -3.393 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.133 -8.700 -3.074 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -4.051 -7.841 -1.275 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.717 -4.931 -3.181 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.308 -5.643 -1.038 1.00 0.00 H new ATOM 492 N SER A 36 0.640 -9.995 -2.452 1.00 0.00 N ATOM 493 CA SER A 36 1.151 -11.331 -2.738 1.00 0.00 C ATOM 494 C SER A 36 1.055 -12.224 -1.505 1.00 0.00 C ATOM 495 O SER A 36 0.627 -13.375 -1.591 1.00 0.00 O ATOM 496 CB SER A 36 2.603 -11.253 -3.214 1.00 0.00 C ATOM 497 OG SER A 36 3.469 -10.895 -2.152 1.00 0.00 O ATOM 0 H SER A 36 1.127 -9.244 -2.940 1.00 0.00 H new ATOM 0 HA SER A 36 0.540 -11.766 -3.529 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.906 -12.216 -3.626 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.687 -10.522 -4.018 1.00 0.00 H new ATOM 0 HG SER A 36 4.391 -10.854 -2.482 1.00 0.00 H new ATOM 503 N GLY A 37 1.456 -11.685 -0.358 1.00 0.00 N ATOM 504 CA GLY A 37 1.408 -12.446 0.876 1.00 0.00 C ATOM 505 C GLY A 37 0.119 -12.226 1.643 1.00 0.00 C ATOM 506 O GLY A 37 -0.190 -11.103 2.040 1.00 0.00 O ATOM 0 H GLY A 37 1.813 -10.735 -0.262 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.516 -13.507 0.650 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.253 -12.167 1.505 1.00 0.00 H new ATOM 510 N GLU A 38 -0.636 -13.300 1.851 1.00 0.00 N ATOM 511 CA GLU A 38 -1.900 -13.217 2.573 1.00 0.00 C ATOM 512 C GLU A 38 -1.684 -12.685 3.987 1.00 0.00 C ATOM 513 O GLU A 38 -1.415 -13.448 4.916 1.00 0.00 O ATOM 514 CB GLU A 38 -2.571 -14.591 2.630 1.00 0.00 C ATOM 515 CG GLU A 38 -3.973 -14.559 3.216 1.00 0.00 C ATOM 516 CD GLU A 38 -4.950 -13.788 2.350 1.00 0.00 C ATOM 517 OE1 GLU A 38 -5.007 -14.062 1.133 1.00 0.00 O ATOM 518 OE2 GLU A 38 -5.656 -12.910 2.888 1.00 0.00 O ATOM 0 H GLU A 38 -0.394 -14.237 1.530 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.551 -12.525 2.038 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.616 -15.006 1.623 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.953 -15.264 3.225 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.333 -15.580 3.343 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.938 -14.108 4.208 1.00 0.00 H new ATOM 525 N LYS A 39 -1.804 -11.371 4.143 1.00 0.00 N ATOM 526 CA LYS A 39 -1.624 -10.735 5.442 1.00 0.00 C ATOM 527 C LYS A 39 -2.860 -9.930 5.830 1.00 0.00 C ATOM 528 O LYS A 39 -2.896 -8.705 5.710 1.00 0.00 O ATOM 529 CB LYS A 39 -0.395 -9.823 5.420 1.00 0.00 C ATOM 530 CG LYS A 39 -0.389 -8.838 4.264 1.00 0.00 C ATOM 531 CD LYS A 39 0.557 -7.678 4.524 1.00 0.00 C ATOM 532 CE LYS A 39 1.958 -7.975 4.011 1.00 0.00 C ATOM 533 NZ LYS A 39 2.817 -6.758 4.008 1.00 0.00 N ATOM 0 H LYS A 39 -2.025 -10.725 3.385 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.475 -11.519 6.185 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.347 -9.270 6.358 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.503 -10.439 5.366 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.094 -9.351 3.349 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.398 -8.457 4.104 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.174 -6.779 4.040 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.596 -7.472 5.594 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.418 -8.742 4.634 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.897 -8.379 3.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.449 -6.781 3.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.217 -5.910 3.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.385 -6.732 4.879 1.00 0.00 H new ATOM 547 N PRO A 40 -3.898 -10.632 6.309 1.00 0.00 N ATOM 548 CA PRO A 40 -5.154 -10.002 6.726 1.00 0.00 C ATOM 549 C PRO A 40 -4.996 -9.182 8.001 1.00 0.00 C ATOM 550 O PRO A 40 -5.962 -8.610 8.507 1.00 0.00 O ATOM 551 CB PRO A 40 -6.084 -11.194 6.969 1.00 0.00 C ATOM 552 CG PRO A 40 -5.172 -12.328 7.286 1.00 0.00 C ATOM 553 CD PRO A 40 -3.925 -12.094 6.480 1.00 0.00 C ATOM 0 HA PRO A 40 -5.525 -9.299 5.980 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -6.772 -10.998 7.791 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -6.691 -11.408 6.089 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -4.947 -12.362 8.352 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -5.631 -13.282 7.027 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.037 -12.454 7.000 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.964 -12.610 5.521 1.00 0.00 H new ATOM 561 N SER A 41 -3.772 -9.127 8.516 1.00 0.00 N ATOM 562 CA SER A 41 -3.487 -8.378 9.735 1.00 0.00 C ATOM 563 C SER A 41 -3.878 -6.912 9.575 1.00 0.00 C ATOM 564 O SER A 41 -3.307 -6.192 8.757 1.00 0.00 O ATOM 565 CB SER A 41 -2.004 -8.487 10.091 1.00 0.00 C ATOM 566 OG SER A 41 -1.635 -9.833 10.335 1.00 0.00 O ATOM 0 H SER A 41 -2.961 -9.592 8.108 1.00 0.00 H new ATOM 0 HA SER A 41 -4.079 -8.808 10.543 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.401 -8.083 9.278 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.794 -7.883 10.974 1.00 0.00 H new ATOM 0 HG SER A 41 -0.682 -9.875 10.559 1.00 0.00 H new ATOM 572 N GLY A 42 -4.855 -6.477 10.364 1.00 0.00 N ATOM 573 CA GLY A 42 -5.306 -5.099 10.295 1.00 0.00 C ATOM 574 C GLY A 42 -6.655 -4.897 10.956 1.00 0.00 C ATOM 575 O GLY A 42 -7.697 -4.896 10.301 1.00 0.00 O ATOM 0 H GLY A 42 -5.342 -7.054 11.050 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.570 -4.454 10.775 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.367 -4.792 9.251 1.00 0.00 H new ATOM 579 N PRO A 43 -6.647 -4.722 12.286 1.00 0.00 N ATOM 580 CA PRO A 43 -7.871 -4.516 13.065 1.00 0.00 C ATOM 581 C PRO A 43 -8.510 -3.159 12.792 1.00 0.00 C ATOM 582 O PRO A 43 -9.713 -3.066 12.548 1.00 0.00 O ATOM 583 CB PRO A 43 -7.387 -4.597 14.515 1.00 0.00 C ATOM 584 CG PRO A 43 -5.949 -4.213 14.456 1.00 0.00 C ATOM 585 CD PRO A 43 -5.441 -4.712 13.131 1.00 0.00 C ATOM 0 HA PRO A 43 -8.640 -5.247 12.817 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -7.951 -3.922 15.159 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -7.512 -5.602 14.919 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.830 -3.133 14.538 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -5.392 -4.658 15.280 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -4.670 -4.058 12.724 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -5.002 -5.706 13.217 1.00 0.00 H new ATOM 593 N SER A 44 -7.698 -2.108 12.835 1.00 0.00 N ATOM 594 CA SER A 44 -8.185 -0.754 12.596 1.00 0.00 C ATOM 595 C SER A 44 -7.032 0.186 12.258 1.00 0.00 C ATOM 596 O SER A 44 -5.868 -0.213 12.267 1.00 0.00 O ATOM 597 CB SER A 44 -8.938 -0.236 13.823 1.00 0.00 C ATOM 598 OG SER A 44 -9.912 -1.170 14.256 1.00 0.00 O ATOM 0 H SER A 44 -6.699 -2.168 13.033 1.00 0.00 H new ATOM 0 HA SER A 44 -8.867 -0.784 11.746 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.233 -0.041 14.631 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.420 0.712 13.584 1.00 0.00 H new ATOM 0 HG SER A 44 -10.190 -1.727 13.499 1.00 0.00 H new ATOM 604 N SER A 45 -7.366 1.438 11.959 1.00 0.00 N ATOM 605 CA SER A 45 -6.361 2.435 11.614 1.00 0.00 C ATOM 606 C SER A 45 -6.830 3.836 11.998 1.00 0.00 C ATOM 607 O SER A 45 -8.028 4.097 12.089 1.00 0.00 O ATOM 608 CB SER A 45 -6.052 2.382 10.116 1.00 0.00 C ATOM 609 OG SER A 45 -4.731 2.823 9.852 1.00 0.00 O ATOM 0 H SER A 45 -8.325 1.785 11.949 1.00 0.00 H new ATOM 0 HA SER A 45 -5.454 2.208 12.174 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.178 1.363 9.751 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.762 3.005 9.573 1.00 0.00 H new ATOM 0 HG SER A 45 -4.558 2.778 8.889 1.00 0.00 H new ATOM 615 N GLY A 46 -5.874 4.733 12.222 1.00 0.00 N ATOM 616 CA GLY A 46 -6.209 6.095 12.594 1.00 0.00 C ATOM 617 C GLY A 46 -5.042 7.047 12.417 1.00 0.00 C ATOM 618 O GLY A 46 -4.885 7.606 11.333 1.00 0.00 O ATOM 0 H GLY A 46 -4.875 4.541 12.153 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -7.049 6.438 11.989 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.536 6.115 13.634 1.00 0.00 H new TER 622 GLY A 46 HETATM 623 ZN ZN A 201 -4.180 -2.905 -2.150 1.00 0.00 ZN