USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 469 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 Set 1.1: A 40 SER OG : rot -108:sc= -0.753 USER MOD Set 1.2: A 48 ASN : amide:sc= -4.85! C(o=-5.6!,f=-15!) USER MOD Single : A 2 SER OG : rot 18:sc= -0.975 USER MOD Single : A 2ALYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 179:sc= -4.41! (180deg=-4.52!) USER MOD Single : A 6 THR OG1 : rot -141:sc= -0.723 USER MOD Single : A 10 SER OG : rot 91:sc= 0.0438 USER MOD Single : A 11 SER OG : rot 67:sc= 1.11 USER MOD Single : A 13 SER OG : rot 180:sc= -0.0709 USER MOD Single : A 17 THR OG1 : rot 7:sc= -2.36 USER MOD Single : A 18 HIS : no HD1:sc= -0.638 K(o=-0.64,f=-0.025) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 51:sc= 1.29 USER MOD Single : A 56 SER OG : rot 77:sc= -1.67 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 THR OG1 : rot 180:sc= 0.0433 USER MOD Single : A 139 SER OG : rot 180:sc= -0.0118 USER MOD Single : A 140 HIS : no HD1:sc= -2.05 K(o=-2.1,f=-7.5!) USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 2 4.217 11.264 5.576 1.00 0.00 N ATOM 11 CA SER A 2 4.149 9.853 5.208 1.00 0.00 C ATOM 12 C SER A 2 5.438 9.125 5.576 1.00 0.00 C ATOM 13 O SER A 2 6.520 9.483 5.111 1.00 0.00 O ATOM 14 CB SER A 2 3.879 9.706 3.708 1.00 0.00 C ATOM 15 OG SER A 2 3.309 10.888 3.173 1.00 0.00 O ATOM 0 HA SER A 2 3.328 9.402 5.766 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.810 9.480 3.188 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.207 8.865 3.537 1.00 0.00 H new ATOM 0 HG SER A 2 3.461 11.633 3.791 1.00 0.00 H new ATOM 21 N LYS A 2A 5.312 8.095 6.409 1.00 0.00 N ATOM 22 CA LYS A 2A 6.465 7.308 6.833 1.00 0.00 C ATOM 23 C LYS A 2A 6.788 6.241 5.797 1.00 0.00 C ATOM 24 O LYS A 2A 6.715 5.043 6.074 1.00 0.00 O ATOM 25 CB LYS A 2A 6.200 6.660 8.193 1.00 0.00 C ATOM 26 CG LYS A 2A 5.666 7.630 9.236 1.00 0.00 C ATOM 27 CD LYS A 2A 4.232 7.304 9.623 1.00 0.00 C ATOM 28 CE LYS A 2A 3.242 8.203 8.899 1.00 0.00 C ATOM 29 NZ LYS A 2A 2.077 8.553 9.758 1.00 0.00 N ATOM 0 H LYS A 2A 4.423 7.787 6.803 1.00 0.00 H new ATOM 0 HA LYS A 2A 7.322 7.975 6.927 1.00 0.00 H new ATOM 0 HB2 LYS A 2A 5.485 5.847 8.066 1.00 0.00 H new ATOM 0 HB3 LYS A 2A 7.125 6.217 8.561 1.00 0.00 H new ATOM 0 HG2 LYS A 2A 6.299 7.596 10.123 1.00 0.00 H new ATOM 0 HG3 LYS A 2A 5.716 8.647 8.847 1.00 0.00 H new ATOM 0 HD2 LYS A 2A 4.018 6.261 9.387 1.00 0.00 H new ATOM 0 HD3 LYS A 2A 4.109 7.419 10.700 1.00 0.00 H new ATOM 0 HE2 LYS A 2A 3.746 9.116 8.581 1.00 0.00 H new ATOM 0 HE3 LYS A 2A 2.890 7.703 7.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 2A 1.426 9.167 9.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 2A 1.580 7.684 10.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 2A 2.410 9.053 10.607 1.00 0.00 H new ATOM 43 N LEU A 2B 7.138 6.688 4.597 1.00 0.00 N ATOM 44 CA LEU A 2B 7.464 5.780 3.508 1.00 0.00 C ATOM 45 C LEU A 2B 8.842 6.082 2.930 1.00 0.00 C ATOM 46 O LEU A 2B 9.197 7.241 2.713 1.00 0.00 O ATOM 47 CB LEU A 2B 6.413 5.888 2.405 1.00 0.00 C ATOM 48 CG LEU A 2B 5.117 5.117 2.658 1.00 0.00 C ATOM 49 CD1 LEU A 2B 4.524 5.495 4.007 1.00 0.00 C ATOM 50 CD2 LEU A 2B 4.117 5.377 1.542 1.00 0.00 C ATOM 0 H LEU A 2B 7.203 7.677 4.355 1.00 0.00 H new ATOM 0 HA LEU A 2B 7.473 4.766 3.908 1.00 0.00 H new ATOM 0 HB2 LEU A 2B 6.168 6.940 2.261 1.00 0.00 H new ATOM 0 HB3 LEU A 2B 6.851 5.533 1.472 1.00 0.00 H new ATOM 0 HG LEU A 2B 5.347 4.052 2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 2B 3.602 4.936 4.169 1.00 0.00 H new ATOM 0 HD12 LEU A 2B 5.236 5.257 4.797 1.00 0.00 H new ATOM 0 HD13 LEU A 2B 4.308 6.563 4.023 1.00 0.00 H new ATOM 0 HD21 LEU A 2B 3.200 4.821 1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 2B 3.892 6.443 1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 2B 4.541 5.054 0.591 1.00 0.00 H new ATOM 62 N GLU A 3 9.608 5.029 2.671 1.00 0.00 N ATOM 63 CA GLU A 3 10.943 5.173 2.103 1.00 0.00 C ATOM 64 C GLU A 3 10.897 4.953 0.591 1.00 0.00 C ATOM 65 O GLU A 3 9.857 5.153 -0.037 1.00 0.00 O ATOM 66 CB GLU A 3 11.905 4.182 2.764 1.00 0.00 C ATOM 67 CG GLU A 3 11.762 4.112 4.276 1.00 0.00 C ATOM 68 CD GLU A 3 13.050 4.451 5.003 1.00 0.00 C ATOM 69 OE1 GLU A 3 13.896 3.547 5.164 1.00 0.00 O ATOM 70 OE2 GLU A 3 13.211 5.621 5.410 1.00 0.00 O ATOM 0 H GLU A 3 9.327 4.064 2.846 1.00 0.00 H new ATOM 0 HA GLU A 3 11.304 6.184 2.294 1.00 0.00 H new ATOM 0 HB2 GLU A 3 11.736 3.190 2.345 1.00 0.00 H new ATOM 0 HB3 GLU A 3 12.929 4.462 2.517 1.00 0.00 H new ATOM 0 HG2 GLU A 3 10.978 4.799 4.595 1.00 0.00 H new ATOM 0 HG3 GLU A 3 11.442 3.110 4.560 1.00 0.00 H new ATOM 77 N GLY A 4 12.018 4.538 0.006 1.00 0.00 N ATOM 78 CA GLY A 4 12.053 4.300 -1.425 1.00 0.00 C ATOM 79 C GLY A 4 11.149 3.154 -1.838 1.00 0.00 C ATOM 80 O GLY A 4 10.173 3.353 -2.561 1.00 0.00 O ATOM 0 H GLY A 4 12.896 4.364 0.494 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.751 5.206 -1.950 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.076 4.081 -1.730 1.00 0.00 H new ATOM 84 N LYS A 5 11.475 1.952 -1.372 1.00 0.00 N ATOM 85 CA LYS A 5 10.686 0.765 -1.689 1.00 0.00 C ATOM 86 C LYS A 5 10.561 0.574 -3.199 1.00 0.00 C ATOM 87 O LYS A 5 11.354 1.113 -3.970 1.00 0.00 O ATOM 88 CB LYS A 5 9.297 0.863 -1.054 1.00 0.00 C ATOM 89 CG LYS A 5 9.304 1.443 0.351 1.00 0.00 C ATOM 90 CD LYS A 5 8.456 2.701 0.438 1.00 0.00 C ATOM 91 CE LYS A 5 7.108 2.422 1.082 1.00 0.00 C ATOM 92 NZ LYS A 5 6.001 3.122 0.376 1.00 0.00 N ATOM 0 H LYS A 5 12.281 1.774 -0.773 1.00 0.00 H new ATOM 0 HA LYS A 5 11.204 -0.102 -1.278 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.660 1.480 -1.688 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.850 -0.131 -1.024 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.928 0.700 1.054 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.328 1.672 0.646 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.986 3.459 1.015 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.305 3.109 -0.561 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.919 1.348 1.079 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.131 2.739 2.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.097 2.893 0.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.159 4.149 0.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.973 2.814 -0.617 1.00 0.00 H new ATOM 106 N THR A 6 9.565 -0.204 -3.611 1.00 0.00 N ATOM 107 CA THR A 6 9.339 -0.477 -5.025 1.00 0.00 C ATOM 108 C THR A 6 8.043 0.165 -5.510 1.00 0.00 C ATOM 109 O THR A 6 7.044 0.190 -4.791 1.00 0.00 O ATOM 110 CB THR A 6 9.297 -1.990 -5.264 1.00 0.00 C ATOM 111 OG1 THR A 6 8.590 -2.294 -6.453 1.00 0.00 O ATOM 112 CG2 THR A 6 8.643 -2.758 -4.133 1.00 0.00 C ATOM 0 H THR A 6 8.901 -0.657 -2.984 1.00 0.00 H new ATOM 0 HA THR A 6 10.163 -0.044 -5.591 1.00 0.00 H new ATOM 0 HB THR A 6 10.340 -2.297 -5.336 1.00 0.00 H new ATOM 0 HG1 THR A 6 8.049 -3.099 -6.315 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.646 -3.823 -4.366 1.00 0.00 H new ATOM 0 HG22 THR A 6 9.196 -2.587 -3.210 1.00 0.00 H new ATOM 0 HG23 THR A 6 7.615 -2.417 -4.008 1.00 0.00 H new ATOM 120 N CYS A 7 8.064 0.684 -6.737 1.00 0.00 N ATOM 121 CA CYS A 7 6.886 1.324 -7.312 1.00 0.00 C ATOM 122 C CYS A 7 6.609 0.840 -8.737 1.00 0.00 C ATOM 123 O CYS A 7 5.615 1.235 -9.347 1.00 0.00 O ATOM 124 CB CYS A 7 7.049 2.841 -7.303 1.00 0.00 C ATOM 125 SG CYS A 7 5.533 3.760 -7.708 1.00 0.00 S ATOM 0 H CYS A 7 8.881 0.673 -7.348 1.00 0.00 H new ATOM 0 HA CYS A 7 6.033 1.046 -6.694 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.395 3.151 -6.317 1.00 0.00 H new ATOM 0 HB3 CYS A 7 7.827 3.115 -8.015 1.00 0.00 H new ATOM 130 N GLY A 8 7.483 -0.014 -9.267 1.00 0.00 N ATOM 131 CA GLY A 8 7.293 -0.522 -10.613 1.00 0.00 C ATOM 132 C GLY A 8 6.078 -1.427 -10.721 1.00 0.00 C ATOM 133 O GLY A 8 5.166 -1.154 -11.500 1.00 0.00 O ATOM 0 H GLY A 8 8.315 -0.361 -8.790 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.182 0.315 -11.303 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.182 -1.073 -10.920 1.00 0.00 H new ATOM 137 N PRO A 9 6.039 -2.517 -9.937 1.00 0.00 N ATOM 138 CA PRO A 9 4.923 -3.464 -9.942 1.00 0.00 C ATOM 139 C PRO A 9 3.701 -2.901 -9.216 1.00 0.00 C ATOM 140 O PRO A 9 3.498 -1.688 -9.191 1.00 0.00 O ATOM 141 CB PRO A 9 5.481 -4.697 -9.204 1.00 0.00 C ATOM 142 CG PRO A 9 6.925 -4.405 -8.940 1.00 0.00 C ATOM 143 CD PRO A 9 7.073 -2.914 -8.981 1.00 0.00 C ATOM 0 HA PRO A 9 4.580 -3.691 -10.951 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.942 -4.871 -8.273 1.00 0.00 H new ATOM 0 HB3 PRO A 9 5.370 -5.597 -9.809 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.229 -4.798 -7.970 1.00 0.00 H new ATOM 0 HG3 PRO A 9 7.560 -4.878 -9.689 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.914 -2.464 -8.001 1.00 0.00 H new ATOM 0 HD3 PRO A 9 8.067 -2.614 -9.312 1.00 0.00 H new ATOM 151 N SER A 10 2.891 -3.782 -8.629 1.00 0.00 N ATOM 152 CA SER A 10 1.693 -3.362 -7.906 1.00 0.00 C ATOM 153 C SER A 10 2.029 -2.328 -6.833 1.00 0.00 C ATOM 154 O SER A 10 2.238 -2.670 -5.669 1.00 0.00 O ATOM 155 CB SER A 10 1.012 -4.573 -7.264 1.00 0.00 C ATOM 156 OG SER A 10 1.157 -5.729 -8.071 1.00 0.00 O ATOM 0 H SER A 10 3.043 -4.790 -8.641 1.00 0.00 H new ATOM 0 HA SER A 10 1.013 -2.903 -8.623 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.443 -4.757 -6.280 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.047 -4.361 -7.114 1.00 0.00 H new ATOM 0 HG SER A 10 1.968 -6.212 -7.808 1.00 0.00 H new ATOM 162 N SER A 11 2.078 -1.062 -7.236 1.00 0.00 N ATOM 163 CA SER A 11 2.387 0.029 -6.320 1.00 0.00 C ATOM 164 C SER A 11 1.514 1.244 -6.611 1.00 0.00 C ATOM 165 O SER A 11 0.735 1.248 -7.565 1.00 0.00 O ATOM 166 CB SER A 11 3.861 0.414 -6.436 1.00 0.00 C ATOM 167 OG SER A 11 4.659 -0.713 -6.752 1.00 0.00 O ATOM 0 H SER A 11 1.906 -0.766 -8.197 1.00 0.00 H new ATOM 0 HA SER A 11 2.183 -0.312 -5.305 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.981 1.176 -7.206 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.201 0.852 -5.498 1.00 0.00 H new ATOM 0 HG SER A 11 4.441 -1.025 -7.655 1.00 0.00 H new ATOM 173 N PHE A 12 1.651 2.272 -5.784 1.00 0.00 N ATOM 174 CA PHE A 12 0.877 3.496 -5.949 1.00 0.00 C ATOM 175 C PHE A 12 1.647 4.702 -5.417 1.00 0.00 C ATOM 176 O PHE A 12 1.882 4.816 -4.218 1.00 0.00 O ATOM 177 CB PHE A 12 -0.467 3.370 -5.226 1.00 0.00 C ATOM 178 CG PHE A 12 -1.255 4.649 -5.185 1.00 0.00 C ATOM 179 CD1 PHE A 12 -1.716 5.231 -6.355 1.00 0.00 C ATOM 180 CD2 PHE A 12 -1.531 5.269 -3.977 1.00 0.00 C ATOM 181 CE1 PHE A 12 -2.438 6.408 -6.321 1.00 0.00 C ATOM 182 CE2 PHE A 12 -2.253 6.446 -3.937 1.00 0.00 C ATOM 183 CZ PHE A 12 -2.707 7.017 -5.110 1.00 0.00 C ATOM 0 H PHE A 12 2.292 2.283 -4.991 1.00 0.00 H new ATOM 0 HA PHE A 12 0.697 3.646 -7.013 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.064 2.602 -5.719 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.290 3.030 -4.206 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.508 4.759 -7.304 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.178 4.827 -3.057 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.792 6.852 -7.240 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.462 6.919 -2.989 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.271 7.938 -5.081 1.00 0.00 H new ATOM 193 N SER A 13 2.039 5.600 -6.313 1.00 0.00 N ATOM 194 CA SER A 13 2.779 6.792 -5.918 1.00 0.00 C ATOM 195 C SER A 13 1.933 7.686 -5.022 1.00 0.00 C ATOM 196 O SER A 13 0.926 8.242 -5.457 1.00 0.00 O ATOM 197 CB SER A 13 3.242 7.565 -7.155 1.00 0.00 C ATOM 198 OG SER A 13 2.794 8.911 -7.132 1.00 0.00 O ATOM 0 H SER A 13 1.858 5.526 -7.314 1.00 0.00 H new ATOM 0 HA SER A 13 3.656 6.476 -5.353 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.330 7.545 -7.210 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.868 7.073 -8.053 1.00 0.00 H new ATOM 0 HG SER A 13 3.109 9.374 -7.936 1.00 0.00 H new ATOM 204 N CYS A 14 2.356 7.826 -3.768 1.00 0.00 N ATOM 205 CA CYS A 14 1.641 8.663 -2.808 1.00 0.00 C ATOM 206 C CYS A 14 1.343 10.033 -3.414 1.00 0.00 C ATOM 207 O CYS A 14 2.235 10.870 -3.550 1.00 0.00 O ATOM 208 CB CYS A 14 2.459 8.829 -1.525 1.00 0.00 C ATOM 209 SG CYS A 14 2.248 7.490 -0.302 1.00 0.00 S ATOM 0 H CYS A 14 3.189 7.372 -3.393 1.00 0.00 H new ATOM 0 HA CYS A 14 0.699 8.172 -2.563 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.514 8.897 -1.790 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.187 9.775 -1.057 1.00 0.00 H new ATOM 214 N PRO A 15 0.078 10.274 -3.797 1.00 0.00 N ATOM 215 CA PRO A 15 -0.338 11.540 -4.401 1.00 0.00 C ATOM 216 C PRO A 15 0.215 12.755 -3.664 1.00 0.00 C ATOM 217 O PRO A 15 0.009 12.911 -2.461 1.00 0.00 O ATOM 218 CB PRO A 15 -1.860 11.495 -4.285 1.00 0.00 C ATOM 219 CG PRO A 15 -2.201 10.046 -4.311 1.00 0.00 C ATOM 220 CD PRO A 15 -1.042 9.324 -3.676 1.00 0.00 C ATOM 0 HA PRO A 15 0.029 11.643 -5.422 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.200 11.965 -3.362 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.335 12.028 -5.108 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.124 9.855 -3.764 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.359 9.703 -5.333 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.247 9.079 -2.634 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.827 8.386 -4.188 1.00 0.00 H new ATOM 228 N GLY A 16 0.915 13.616 -4.396 1.00 0.00 N ATOM 229 CA GLY A 16 1.484 14.808 -3.796 1.00 0.00 C ATOM 230 C GLY A 16 2.921 14.612 -3.355 1.00 0.00 C ATOM 231 O GLY A 16 3.696 15.567 -3.302 1.00 0.00 O ATOM 0 H GLY A 16 1.098 13.509 -5.394 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.437 15.628 -4.512 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.881 15.100 -2.936 1.00 0.00 H new ATOM 235 N THR A 17 3.277 13.372 -3.036 1.00 0.00 N ATOM 236 CA THR A 17 4.629 13.055 -2.594 1.00 0.00 C ATOM 237 C THR A 17 5.302 12.079 -3.553 1.00 0.00 C ATOM 238 O THR A 17 4.693 11.103 -3.991 1.00 0.00 O ATOM 239 CB THR A 17 4.598 12.462 -1.186 1.00 0.00 C ATOM 240 OG1 THR A 17 3.662 11.402 -1.109 1.00 0.00 O ATOM 241 CG2 THR A 17 4.234 13.472 -0.121 1.00 0.00 C ATOM 0 H THR A 17 2.647 12.570 -3.076 1.00 0.00 H new ATOM 0 HA THR A 17 5.207 13.979 -2.582 1.00 0.00 H new ATOM 0 HB THR A 17 5.612 12.108 -0.999 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.316 11.206 -2.005 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.230 12.986 0.855 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.965 14.280 -0.121 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.244 13.878 -0.328 1.00 0.00 H new ATOM 249 N HIS A 18 6.565 12.346 -3.870 1.00 0.00 N ATOM 250 CA HIS A 18 7.328 11.488 -4.772 1.00 0.00 C ATOM 251 C HIS A 18 7.346 10.048 -4.266 1.00 0.00 C ATOM 252 O HIS A 18 7.543 9.109 -5.038 1.00 0.00 O ATOM 253 CB HIS A 18 8.759 12.008 -4.910 1.00 0.00 C ATOM 254 CG HIS A 18 9.422 12.281 -3.595 1.00 0.00 C ATOM 255 ND1 HIS A 18 10.227 11.378 -2.938 1.00 0.00 N ATOM 256 CD2 HIS A 18 9.384 13.389 -2.811 1.00 0.00 C ATOM 257 CE1 HIS A 18 10.642 11.950 -1.799 1.00 0.00 C ATOM 258 NE2 HIS A 18 10.160 13.171 -1.676 1.00 0.00 N ATOM 0 H HIS A 18 7.083 13.150 -3.516 1.00 0.00 H new ATOM 0 HA HIS A 18 6.844 11.506 -5.749 1.00 0.00 H new ATOM 0 HB2 HIS A 18 9.351 11.278 -5.462 1.00 0.00 H new ATOM 0 HB3 HIS A 18 8.749 12.924 -5.501 1.00 0.00 H new ATOM 0 HD2 HIS A 18 8.839 14.295 -3.033 1.00 0.00 H new ATOM 0 HE1 HIS A 18 11.287 11.473 -1.076 1.00 0.00 H new ATOM 0 HE2 HIS A 18 10.322 13.822 -0.908 1.00 0.00 H new ATOM 266 N VAL A 19 7.136 9.885 -2.965 1.00 0.00 N ATOM 267 CA VAL A 19 7.124 8.569 -2.345 1.00 0.00 C ATOM 268 C VAL A 19 6.080 7.664 -2.993 1.00 0.00 C ATOM 269 O VAL A 19 5.001 8.120 -3.373 1.00 0.00 O ATOM 270 CB VAL A 19 6.836 8.684 -0.836 1.00 0.00 C ATOM 271 CG1 VAL A 19 5.535 9.433 -0.596 1.00 0.00 C ATOM 272 CG2 VAL A 19 6.801 7.311 -0.182 1.00 0.00 C ATOM 0 H VAL A 19 6.971 10.655 -2.317 1.00 0.00 H new ATOM 0 HA VAL A 19 8.110 8.128 -2.492 1.00 0.00 H new ATOM 0 HB VAL A 19 7.646 9.251 -0.377 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.348 9.504 0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.609 10.435 -1.019 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.714 8.898 -1.072 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.596 7.420 0.883 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.018 6.709 -0.642 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.764 6.819 -0.317 1.00 0.00 H new ATOM 282 N CYS A 20 6.407 6.380 -3.120 1.00 0.00 N ATOM 283 CA CYS A 20 5.493 5.418 -3.726 1.00 0.00 C ATOM 284 C CYS A 20 5.025 4.380 -2.713 1.00 0.00 C ATOM 285 O CYS A 20 5.830 3.636 -2.153 1.00 0.00 O ATOM 286 CB CYS A 20 6.156 4.723 -4.914 1.00 0.00 C ATOM 287 SG CYS A 20 5.680 5.405 -6.534 1.00 0.00 S ATOM 0 H CYS A 20 7.295 5.984 -2.812 1.00 0.00 H new ATOM 0 HA CYS A 20 4.621 5.970 -4.076 1.00 0.00 H new ATOM 0 HB2 CYS A 20 7.238 4.794 -4.805 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.902 3.663 -4.889 1.00 0.00 H new ATOM 292 N VAL A 21 3.715 4.331 -2.494 1.00 0.00 N ATOM 293 CA VAL A 21 3.130 3.378 -1.561 1.00 0.00 C ATOM 294 C VAL A 21 2.672 2.117 -2.299 1.00 0.00 C ATOM 295 O VAL A 21 1.886 2.192 -3.241 1.00 0.00 O ATOM 296 CB VAL A 21 1.940 4.001 -0.800 1.00 0.00 C ATOM 297 CG1 VAL A 21 0.918 4.577 -1.765 1.00 0.00 C ATOM 298 CG2 VAL A 21 1.291 2.982 0.120 1.00 0.00 C ATOM 0 H VAL A 21 3.038 4.942 -2.952 1.00 0.00 H new ATOM 0 HA VAL A 21 3.899 3.108 -0.837 1.00 0.00 H new ATOM 0 HB VAL A 21 2.326 4.816 -0.188 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.090 5.009 -1.203 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.387 5.351 -2.373 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.542 3.785 -2.413 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.456 3.446 0.645 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.927 2.140 -0.469 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.024 2.628 0.845 1.00 0.00 H new ATOM 308 N PRO A 22 3.173 0.937 -1.889 1.00 0.00 N ATOM 309 CA PRO A 22 2.822 -0.336 -2.529 1.00 0.00 C ATOM 310 C PRO A 22 1.337 -0.660 -2.429 1.00 0.00 C ATOM 311 O PRO A 22 0.651 -0.207 -1.513 1.00 0.00 O ATOM 312 CB PRO A 22 3.638 -1.376 -1.755 1.00 0.00 C ATOM 313 CG PRO A 22 4.707 -0.604 -1.063 1.00 0.00 C ATOM 314 CD PRO A 22 4.129 0.751 -0.787 1.00 0.00 C ATOM 0 HA PRO A 22 3.037 -0.310 -3.597 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.014 -1.912 -1.039 1.00 0.00 H new ATOM 0 HB3 PRO A 22 4.064 -2.121 -2.427 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.006 -1.096 -0.137 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.598 -0.528 -1.686 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.636 0.789 0.185 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.897 1.524 -0.785 1.00 0.00 H new ATOM 322 N GLU A 23 0.850 -1.454 -3.380 1.00 0.00 N ATOM 323 CA GLU A 23 -0.553 -1.850 -3.405 1.00 0.00 C ATOM 324 C GLU A 23 -0.954 -2.530 -2.099 1.00 0.00 C ATOM 325 O GLU A 23 -2.094 -2.416 -1.655 1.00 0.00 O ATOM 326 CB GLU A 23 -0.821 -2.784 -4.585 1.00 0.00 C ATOM 327 CG GLU A 23 -2.060 -2.411 -5.379 1.00 0.00 C ATOM 328 CD GLU A 23 -2.342 -3.381 -6.510 1.00 0.00 C ATOM 329 OE1 GLU A 23 -3.031 -4.394 -6.266 1.00 0.00 O ATOM 330 OE2 GLU A 23 -1.873 -3.128 -7.640 1.00 0.00 O ATOM 0 H GLU A 23 1.408 -1.835 -4.144 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.155 -0.949 -3.521 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.043 -2.776 -5.249 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.929 -3.804 -4.215 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.920 -2.379 -4.710 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.937 -1.408 -5.788 1.00 0.00 H new ATOM 337 N ARG A 24 -0.009 -3.231 -1.483 1.00 0.00 N ATOM 338 CA ARG A 24 -0.274 -3.912 -0.223 1.00 0.00 C ATOM 339 C ARG A 24 -0.472 -2.887 0.892 1.00 0.00 C ATOM 340 O ARG A 24 -1.164 -3.148 1.876 1.00 0.00 O ATOM 341 CB ARG A 24 0.878 -4.876 0.111 1.00 0.00 C ATOM 342 CG ARG A 24 1.103 -5.115 1.601 1.00 0.00 C ATOM 343 CD ARG A 24 -0.051 -5.875 2.234 1.00 0.00 C ATOM 344 NE ARG A 24 0.378 -6.638 3.405 1.00 0.00 N ATOM 345 CZ ARG A 24 -0.428 -6.981 4.409 1.00 0.00 C ATOM 346 NH1 ARG A 24 -1.711 -6.641 4.388 1.00 0.00 N ATOM 347 NH2 ARG A 24 0.052 -7.667 5.437 1.00 0.00 N ATOM 0 H ARG A 24 0.942 -3.342 -1.834 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.189 -4.497 -0.317 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.682 -5.834 -0.370 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.798 -4.484 -0.322 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.028 -5.674 1.743 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.228 -4.158 2.107 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.833 -5.173 2.524 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.487 -6.552 1.499 1.00 0.00 H new ATOM 0 HE ARG A 24 1.355 -6.926 3.457 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.086 -6.114 3.600 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.322 -6.907 5.160 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.037 -7.931 5.458 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.564 -7.930 6.206 1.00 0.00 H new ATOM 361 N TRP A 25 0.137 -1.718 0.724 1.00 0.00 N ATOM 362 CA TRP A 25 0.028 -0.650 1.709 1.00 0.00 C ATOM 363 C TRP A 25 -1.204 0.220 1.448 1.00 0.00 C ATOM 364 O TRP A 25 -1.468 1.164 2.188 1.00 0.00 O ATOM 365 CB TRP A 25 1.287 0.221 1.690 1.00 0.00 C ATOM 366 CG TRP A 25 2.549 -0.516 2.031 1.00 0.00 C ATOM 367 CD1 TRP A 25 2.797 -1.849 1.865 1.00 0.00 C ATOM 368 CD2 TRP A 25 3.743 0.047 2.589 1.00 0.00 C ATOM 369 NE1 TRP A 25 4.069 -2.149 2.288 1.00 0.00 N ATOM 370 CE2 TRP A 25 4.670 -1.002 2.736 1.00 0.00 C ATOM 371 CE3 TRP A 25 4.119 1.337 2.980 1.00 0.00 C ATOM 372 CZ2 TRP A 25 5.946 -0.802 3.255 1.00 0.00 C ATOM 373 CZ3 TRP A 25 5.387 1.534 3.495 1.00 0.00 C ATOM 374 CH2 TRP A 25 6.287 0.469 3.628 1.00 0.00 C ATOM 0 H TRP A 25 0.712 -1.487 -0.086 1.00 0.00 H new ATOM 0 HA TRP A 25 -0.077 -1.112 2.691 1.00 0.00 H new ATOM 0 HB2 TRP A 25 1.394 0.664 0.700 1.00 0.00 H new ATOM 0 HB3 TRP A 25 1.158 1.043 2.394 1.00 0.00 H new ATOM 0 HD1 TRP A 25 2.095 -2.563 1.460 1.00 0.00 H new ATOM 0 HE1 TRP A 25 4.497 -3.075 2.271 1.00 0.00 H new ATOM 0 HE3 TRP A 25 3.431 2.164 2.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 6.642 -1.621 3.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 5.688 2.525 3.800 1.00 0.00 H new ATOM 0 HH2 TRP A 25 7.271 0.655 4.033 1.00 0.00 H new ATOM 385 N LEU A 26 -1.954 -0.091 0.392 1.00 0.00 N ATOM 386 CA LEU A 26 -3.146 0.680 0.056 1.00 0.00 C ATOM 387 C LEU A 26 -4.216 0.526 1.130 1.00 0.00 C ATOM 388 O LEU A 26 -4.628 1.500 1.749 1.00 0.00 O ATOM 389 CB LEU A 26 -3.699 0.245 -1.302 1.00 0.00 C ATOM 390 CG LEU A 26 -3.233 1.084 -2.495 1.00 0.00 C ATOM 391 CD1 LEU A 26 -1.768 1.469 -2.351 1.00 0.00 C ATOM 392 CD2 LEU A 26 -3.460 0.327 -3.793 1.00 0.00 C ATOM 0 H LEU A 26 -1.758 -0.867 -0.241 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.862 1.731 0.002 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.416 -0.793 -1.476 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.788 0.276 -1.260 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.822 2.001 -2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.462 2.064 -3.211 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.633 2.052 -1.440 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.158 0.567 -2.299 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.124 0.936 -4.633 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.897 -0.606 -3.773 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.522 0.108 -3.906 1.00 0.00 H new ATOM 404 N CYS A 27 -4.661 -0.704 1.347 1.00 0.00 N ATOM 405 CA CYS A 27 -5.680 -0.975 2.355 1.00 0.00 C ATOM 406 C CYS A 27 -5.074 -1.704 3.550 1.00 0.00 C ATOM 407 O CYS A 27 -5.668 -2.639 4.087 1.00 0.00 O ATOM 408 CB CYS A 27 -6.819 -1.807 1.761 1.00 0.00 C ATOM 409 SG CYS A 27 -7.442 -1.209 0.155 1.00 0.00 S ATOM 0 H CYS A 27 -4.335 -1.528 0.842 1.00 0.00 H new ATOM 0 HA CYS A 27 -6.082 -0.020 2.693 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -6.476 -2.835 1.642 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.645 -1.826 2.472 1.00 0.00 H new ATOM 414 N ASP A 28 -3.889 -1.267 3.962 1.00 0.00 N ATOM 415 CA ASP A 28 -3.203 -1.874 5.095 1.00 0.00 C ATOM 416 C ASP A 28 -4.023 -1.710 6.375 1.00 0.00 C ATOM 417 O ASP A 28 -3.811 -2.426 7.354 1.00 0.00 O ATOM 418 CB ASP A 28 -1.801 -1.257 5.251 1.00 0.00 C ATOM 419 CG ASP A 28 -1.529 -0.706 6.641 1.00 0.00 C ATOM 420 OD1 ASP A 28 -1.478 -1.506 7.598 1.00 0.00 O ATOM 421 OD2 ASP A 28 -1.367 0.526 6.769 1.00 0.00 O ATOM 0 H ASP A 28 -3.384 -0.494 3.528 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.091 -2.942 4.909 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.052 -2.014 5.016 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.683 -0.455 4.522 1.00 0.00 H new ATOM 426 N GLY A 29 -4.958 -0.764 6.360 1.00 0.00 N ATOM 427 CA GLY A 29 -5.789 -0.528 7.523 1.00 0.00 C ATOM 428 C GLY A 29 -5.559 0.838 8.142 1.00 0.00 C ATOM 429 O GLY A 29 -6.262 1.230 9.074 1.00 0.00 O ATOM 0 H GLY A 29 -5.153 -0.158 5.563 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.837 -0.622 7.240 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.590 -1.298 8.268 1.00 0.00 H new ATOM 433 N ASP A 30 -4.576 1.567 7.623 1.00 0.00 N ATOM 434 CA ASP A 30 -4.259 2.897 8.130 1.00 0.00 C ATOM 435 C ASP A 30 -3.738 3.779 7.003 1.00 0.00 C ATOM 436 O ASP A 30 -3.555 3.315 5.885 1.00 0.00 O ATOM 437 CB ASP A 30 -3.223 2.808 9.252 1.00 0.00 C ATOM 438 CG ASP A 30 -3.727 2.016 10.443 1.00 0.00 C ATOM 439 OD1 ASP A 30 -4.440 2.600 11.285 1.00 0.00 O ATOM 440 OD2 ASP A 30 -3.409 0.811 10.532 1.00 0.00 O ATOM 0 H ASP A 30 -3.985 1.259 6.851 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.170 3.341 8.532 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.315 2.343 8.868 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.954 3.814 9.575 1.00 0.00 H new ATOM 445 N LYS A 31 -3.504 5.052 7.293 1.00 0.00 N ATOM 446 CA LYS A 31 -3.009 5.975 6.278 1.00 0.00 C ATOM 447 C LYS A 31 -1.487 6.079 6.321 1.00 0.00 C ATOM 448 O LYS A 31 -0.923 6.681 7.234 1.00 0.00 O ATOM 449 CB LYS A 31 -3.632 7.357 6.468 1.00 0.00 C ATOM 450 CG LYS A 31 -5.142 7.363 6.314 1.00 0.00 C ATOM 451 CD LYS A 31 -5.724 8.742 6.574 1.00 0.00 C ATOM 452 CE LYS A 31 -6.875 9.050 5.629 1.00 0.00 C ATOM 453 NZ LYS A 31 -8.177 9.128 6.346 1.00 0.00 N ATOM 0 H LYS A 31 -3.647 5.467 8.214 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.297 5.584 5.302 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.374 7.731 7.459 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.197 8.046 5.744 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.407 7.039 5.308 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.582 6.645 7.006 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.073 8.802 7.605 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.944 9.495 6.457 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.684 9.995 5.120 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.930 8.279 4.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.935 9.340 5.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.372 8.218 6.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.134 9.881 7.062 1.00 0.00 H new ATOM 467 N ASP A 32 -0.829 5.494 5.324 1.00 0.00 N ATOM 468 CA ASP A 32 0.627 5.531 5.247 1.00 0.00 C ATOM 469 C ASP A 32 1.088 6.717 4.410 1.00 0.00 C ATOM 470 O ASP A 32 2.096 7.353 4.718 1.00 0.00 O ATOM 471 CB ASP A 32 1.171 4.220 4.667 1.00 0.00 C ATOM 472 CG ASP A 32 0.965 4.095 3.169 1.00 0.00 C ATOM 473 OD1 ASP A 32 1.517 4.926 2.419 1.00 0.00 O ATOM 474 OD2 ASP A 32 0.255 3.158 2.748 1.00 0.00 O ATOM 0 H ASP A 32 -1.280 4.990 4.560 1.00 0.00 H new ATOM 0 HA ASP A 32 1.020 5.648 6.257 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.236 4.148 4.888 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.685 3.381 5.165 1.00 0.00 H new ATOM 479 N CYS A 33 0.336 7.015 3.355 1.00 0.00 N ATOM 480 CA CYS A 33 0.663 8.135 2.480 1.00 0.00 C ATOM 481 C CYS A 33 0.584 9.445 3.255 1.00 0.00 C ATOM 482 O CYS A 33 0.415 9.447 4.474 1.00 0.00 O ATOM 483 CB CYS A 33 -0.292 8.183 1.282 1.00 0.00 C ATOM 484 SG CYS A 33 0.237 7.214 -0.175 1.00 0.00 S ATOM 0 H CYS A 33 -0.501 6.498 3.086 1.00 0.00 H new ATOM 0 HA CYS A 33 1.679 7.996 2.111 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.270 7.823 1.602 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.419 9.223 0.980 1.00 0.00 H new ATOM 489 N ALA A 34 0.705 10.558 2.544 1.00 0.00 N ATOM 490 CA ALA A 34 0.644 11.870 3.169 1.00 0.00 C ATOM 491 C ALA A 34 -0.735 12.137 3.765 1.00 0.00 C ATOM 492 O ALA A 34 -0.851 12.615 4.894 1.00 0.00 O ATOM 493 CB ALA A 34 0.999 12.947 2.159 1.00 0.00 C ATOM 0 H ALA A 34 0.846 10.577 1.534 1.00 0.00 H new ATOM 0 HA ALA A 34 1.369 11.891 3.982 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.950 13.925 2.638 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.008 12.776 1.785 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.294 12.914 1.329 1.00 0.00 H new ATOM 499 N ASP A 35 -1.779 11.834 2.997 1.00 0.00 N ATOM 500 CA ASP A 35 -3.149 12.053 3.451 1.00 0.00 C ATOM 501 C ASP A 35 -4.000 10.792 3.309 1.00 0.00 C ATOM 502 O ASP A 35 -5.179 10.868 2.962 1.00 0.00 O ATOM 503 CB ASP A 35 -3.786 13.202 2.667 1.00 0.00 C ATOM 504 CG ASP A 35 -4.652 14.087 3.541 1.00 0.00 C ATOM 505 OD1 ASP A 35 -5.176 13.586 4.559 1.00 0.00 O ATOM 506 OD2 ASP A 35 -4.808 15.280 3.208 1.00 0.00 O ATOM 0 H ASP A 35 -1.702 11.437 2.060 1.00 0.00 H new ATOM 0 HA ASP A 35 -3.109 12.312 4.509 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.002 13.804 2.209 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.390 12.794 1.856 1.00 0.00 H new ATOM 511 N GLY A 36 -3.405 9.635 3.582 1.00 0.00 N ATOM 512 CA GLY A 36 -4.140 8.386 3.480 1.00 0.00 C ATOM 513 C GLY A 36 -4.536 8.050 2.058 1.00 0.00 C ATOM 514 O GLY A 36 -5.498 7.314 1.833 1.00 0.00 O ATOM 0 H GLY A 36 -2.431 9.539 3.871 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.530 7.577 3.883 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.037 8.446 4.097 1.00 0.00 H new ATOM 518 N ALA A 37 -3.794 8.582 1.094 1.00 0.00 N ATOM 519 CA ALA A 37 -4.077 8.325 -0.311 1.00 0.00 C ATOM 520 C ALA A 37 -4.063 6.829 -0.603 1.00 0.00 C ATOM 521 O ALA A 37 -4.844 6.337 -1.417 1.00 0.00 O ATOM 522 CB ALA A 37 -3.071 9.045 -1.188 1.00 0.00 C ATOM 0 H ALA A 37 -2.994 9.192 1.260 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.074 8.705 -0.535 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.293 8.845 -2.236 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.129 10.118 -1.003 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.067 8.691 -0.956 1.00 0.00 H new ATOM 528 N ASP A 38 -3.172 6.108 0.073 1.00 0.00 N ATOM 529 CA ASP A 38 -3.065 4.666 -0.110 1.00 0.00 C ATOM 530 C ASP A 38 -4.387 3.990 0.239 1.00 0.00 C ATOM 531 O ASP A 38 -4.822 3.062 -0.444 1.00 0.00 O ATOM 532 CB ASP A 38 -1.924 4.099 0.744 1.00 0.00 C ATOM 533 CG ASP A 38 -2.289 3.970 2.212 1.00 0.00 C ATOM 534 OD1 ASP A 38 -3.174 3.156 2.531 1.00 0.00 O ATOM 535 OD2 ASP A 38 -1.683 4.678 3.042 1.00 0.00 O ATOM 0 H ASP A 38 -2.516 6.498 0.750 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.839 4.463 -1.157 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.641 3.120 0.358 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.051 4.744 0.648 1.00 0.00 H new ATOM 540 N GLU A 39 -5.028 4.475 1.299 1.00 0.00 N ATOM 541 CA GLU A 39 -6.310 3.930 1.728 1.00 0.00 C ATOM 542 C GLU A 39 -7.438 4.465 0.853 1.00 0.00 C ATOM 543 O GLU A 39 -8.529 3.898 0.813 1.00 0.00 O ATOM 544 CB GLU A 39 -6.584 4.275 3.192 1.00 0.00 C ATOM 545 CG GLU A 39 -5.508 3.791 4.148 1.00 0.00 C ATOM 546 CD GLU A 39 -5.411 2.277 4.201 1.00 0.00 C ATOM 547 OE1 GLU A 39 -6.470 1.617 4.243 1.00 0.00 O ATOM 548 OE2 GLU A 39 -4.275 1.753 4.199 1.00 0.00 O ATOM 0 H GLU A 39 -4.681 5.242 1.874 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.265 2.846 1.626 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.683 5.356 3.288 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.540 3.840 3.485 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.546 4.202 3.844 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.717 4.173 5.147 1.00 0.00 H new ATOM 555 N SER A 40 -7.164 5.562 0.153 1.00 0.00 N ATOM 556 CA SER A 40 -8.150 6.177 -0.721 1.00 0.00 C ATOM 557 C SER A 40 -8.385 5.322 -1.959 1.00 0.00 C ATOM 558 O SER A 40 -7.612 4.410 -2.254 1.00 0.00 O ATOM 559 CB SER A 40 -7.692 7.576 -1.132 1.00 0.00 C ATOM 560 OG SER A 40 -8.288 8.569 -0.315 1.00 0.00 O ATOM 0 H SER A 40 -6.264 6.042 0.176 1.00 0.00 H new ATOM 0 HA SER A 40 -9.089 6.256 -0.173 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.607 7.643 -1.058 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.952 7.755 -2.175 1.00 0.00 H new ATOM 0 HG SER A 40 -8.961 9.059 -0.833 1.00 0.00 H new ATOM 566 N ILE A 41 -9.452 5.629 -2.683 1.00 0.00 N ATOM 567 CA ILE A 41 -9.788 4.902 -3.894 1.00 0.00 C ATOM 568 C ILE A 41 -8.854 5.300 -5.031 1.00 0.00 C ATOM 569 O ILE A 41 -8.652 4.541 -5.979 1.00 0.00 O ATOM 570 CB ILE A 41 -11.250 5.154 -4.303 1.00 0.00 C ATOM 571 CG1 ILE A 41 -11.666 4.202 -5.423 1.00 0.00 C ATOM 572 CG2 ILE A 41 -11.445 6.601 -4.726 1.00 0.00 C ATOM 573 CD1 ILE A 41 -12.468 3.013 -4.939 1.00 0.00 C ATOM 0 H ILE A 41 -10.101 6.380 -2.449 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.666 3.838 -3.690 1.00 0.00 H new ATOM 0 HB ILE A 41 -11.887 4.963 -3.439 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -12.255 4.753 -6.157 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -10.773 3.844 -5.935 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -12.485 6.760 -5.012 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -11.192 7.260 -3.895 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -10.798 6.822 -5.575 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -12.729 2.380 -5.787 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.874 2.439 -4.227 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -13.379 3.362 -4.453 1.00 0.00 H new ATOM 585 N ALA A 42 -8.271 6.493 -4.919 1.00 0.00 N ATOM 586 CA ALA A 42 -7.339 6.990 -5.923 1.00 0.00 C ATOM 587 C ALA A 42 -6.279 5.940 -6.229 1.00 0.00 C ATOM 588 O ALA A 42 -5.759 5.863 -7.343 1.00 0.00 O ATOM 589 CB ALA A 42 -6.685 8.275 -5.438 1.00 0.00 C ATOM 0 H ALA A 42 -8.430 7.132 -4.140 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.891 7.201 -6.839 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.990 8.638 -6.195 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.452 9.028 -5.258 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.143 8.081 -4.512 1.00 0.00 H new ATOM 595 N ALA A 43 -5.975 5.125 -5.225 1.00 0.00 N ATOM 596 CA ALA A 43 -4.991 4.063 -5.360 1.00 0.00 C ATOM 597 C ALA A 43 -5.662 2.760 -5.772 1.00 0.00 C ATOM 598 O ALA A 43 -5.046 1.901 -6.403 1.00 0.00 O ATOM 599 CB ALA A 43 -4.248 3.878 -4.048 1.00 0.00 C ATOM 0 H ALA A 43 -6.402 5.183 -4.301 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.279 4.343 -6.137 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.512 3.081 -4.156 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.741 4.806 -3.783 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.956 3.614 -3.263 1.00 0.00 H new ATOM 605 N GLY A 44 -6.932 2.623 -5.407 1.00 0.00 N ATOM 606 CA GLY A 44 -7.678 1.428 -5.740 1.00 0.00 C ATOM 607 C GLY A 44 -8.008 0.589 -4.521 1.00 0.00 C ATOM 608 O GLY A 44 -7.985 -0.639 -4.584 1.00 0.00 O ATOM 0 H GLY A 44 -7.458 3.323 -4.884 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.603 1.710 -6.244 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.101 0.828 -6.444 1.00 0.00 H new ATOM 612 N CYS A 45 -8.323 1.252 -3.410 1.00 0.00 N ATOM 613 CA CYS A 45 -8.667 0.547 -2.178 1.00 0.00 C ATOM 614 C CYS A 45 -10.112 0.047 -2.226 1.00 0.00 C ATOM 615 O CYS A 45 -10.492 -0.849 -1.474 1.00 0.00 O ATOM 616 CB CYS A 45 -8.454 1.449 -0.957 1.00 0.00 C ATOM 617 SG CYS A 45 -7.243 0.811 0.253 1.00 0.00 S ATOM 0 H CYS A 45 -8.347 2.269 -3.338 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.007 -0.315 -2.087 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -8.125 2.430 -1.299 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -9.411 1.591 -0.454 1.00 0.00 H new ATOM 622 N LEU A 46 -10.902 0.621 -3.134 1.00 0.00 N ATOM 623 CA LEU A 46 -12.301 0.234 -3.319 1.00 0.00 C ATOM 624 C LEU A 46 -13.222 0.800 -2.239 1.00 0.00 C ATOM 625 O LEU A 46 -14.178 0.140 -1.831 1.00 0.00 O ATOM 626 CB LEU A 46 -12.442 -1.293 -3.367 1.00 0.00 C ATOM 627 CG LEU A 46 -11.489 -2.024 -4.322 1.00 0.00 C ATOM 628 CD1 LEU A 46 -10.996 -1.100 -5.428 1.00 0.00 C ATOM 629 CD2 LEU A 46 -10.316 -2.618 -3.556 1.00 0.00 C ATOM 0 H LEU A 46 -10.592 1.364 -3.760 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.612 0.662 -4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.289 -1.685 -2.361 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -13.466 -1.535 -3.651 1.00 0.00 H new ATOM 0 HG LEU A 46 -12.044 -2.836 -4.791 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.323 -1.648 -6.087 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.847 -0.733 -6.002 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.465 -0.256 -4.987 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.651 -3.132 -4.250 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.769 -1.821 -3.053 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.687 -3.327 -2.816 1.00 0.00 H new ATOM 641 N TYR A 47 -12.961 2.027 -1.794 1.00 0.00 N ATOM 642 CA TYR A 47 -13.814 2.651 -0.782 1.00 0.00 C ATOM 643 C TYR A 47 -13.360 4.067 -0.435 1.00 0.00 C ATOM 644 O TYR A 47 -14.143 5.012 -0.530 1.00 0.00 O ATOM 645 CB TYR A 47 -13.878 1.792 0.483 1.00 0.00 C ATOM 646 CG TYR A 47 -12.528 1.448 1.067 1.00 0.00 C ATOM 647 CD1 TYR A 47 -11.806 0.359 0.599 1.00 0.00 C ATOM 648 CD2 TYR A 47 -11.977 2.212 2.088 1.00 0.00 C ATOM 649 CE1 TYR A 47 -10.572 0.039 1.131 1.00 0.00 C ATOM 650 CE2 TYR A 47 -10.744 1.899 2.626 1.00 0.00 C ATOM 651 CZ TYR A 47 -10.045 0.812 2.145 1.00 0.00 C ATOM 652 OH TYR A 47 -8.817 0.497 2.680 1.00 0.00 O ATOM 0 H TYR A 47 -12.180 2.602 -2.111 1.00 0.00 H new ATOM 0 HA TYR A 47 -14.812 2.723 -1.213 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -14.464 2.318 1.237 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -14.409 0.868 0.255 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -12.216 -0.248 -0.194 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -12.521 3.064 2.467 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -10.023 -0.812 0.755 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.329 2.503 3.420 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.162 0.394 1.958 1.00 0.00 H new ATOM 662 N ASN A 48 -12.104 4.218 -0.027 1.00 0.00 N ATOM 663 CA ASN A 48 -11.572 5.532 0.334 1.00 0.00 C ATOM 664 C ASN A 48 -12.142 6.013 1.667 1.00 0.00 C ATOM 665 O ASN A 48 -11.396 6.263 2.614 1.00 0.00 O ATOM 666 CB ASN A 48 -11.894 6.557 -0.757 1.00 0.00 C ATOM 667 CG ASN A 48 -10.963 7.756 -0.746 1.00 0.00 C ATOM 668 OD1 ASN A 48 -10.255 8.009 -1.720 1.00 0.00 O ATOM 669 ND2 ASN A 48 -10.970 8.511 0.347 1.00 0.00 N ATOM 0 H ASN A 48 -11.436 3.452 0.062 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.491 5.434 0.433 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -11.838 6.071 -1.731 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.921 6.901 -0.631 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.373 9.336 0.401 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -11.572 8.265 1.133 1.00 0.00 H new ATOM 744 N SER A 56 -14.446 -2.649 1.255 1.00 0.00 N ATOM 745 CA SER A 56 -14.768 -3.466 0.091 1.00 0.00 C ATOM 746 C SER A 56 -15.045 -4.911 0.498 1.00 0.00 C ATOM 747 O SER A 56 -16.036 -5.507 0.075 1.00 0.00 O ATOM 748 CB SER A 56 -13.624 -3.412 -0.927 1.00 0.00 C ATOM 749 OG SER A 56 -12.772 -4.540 -0.811 1.00 0.00 O ATOM 0 HA SER A 56 -15.670 -3.063 -0.369 1.00 0.00 H new ATOM 0 HB2 SER A 56 -14.035 -3.367 -1.936 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.045 -2.501 -0.778 1.00 0.00 H new ATOM 0 HG SER A 56 -13.202 -5.318 -1.223 1.00 0.00 H new ATOM 755 N GLY A 57 -14.162 -5.468 1.320 1.00 0.00 N ATOM 756 CA GLY A 57 -14.328 -6.837 1.770 1.00 0.00 C ATOM 757 C GLY A 57 -13.218 -7.747 1.282 1.00 0.00 C ATOM 758 O GLY A 57 -12.039 -7.411 1.390 1.00 0.00 O ATOM 0 H GLY A 57 -13.334 -4.995 1.683 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -14.357 -6.857 2.859 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -15.287 -7.218 1.418 1.00 0.00 H new ATOM 762 N SER A 129 -13.596 -8.902 0.744 1.00 0.00 N ATOM 763 CA SER A 129 -12.624 -9.865 0.238 1.00 0.00 C ATOM 764 C SER A 129 -11.752 -9.241 -0.845 1.00 0.00 C ATOM 765 O SER A 129 -10.539 -9.451 -0.876 1.00 0.00 O ATOM 766 CB SER A 129 -13.339 -11.099 -0.315 1.00 0.00 C ATOM 767 OG SER A 129 -14.066 -11.766 0.702 1.00 0.00 O ATOM 0 H SER A 129 -14.568 -9.194 0.647 1.00 0.00 H new ATOM 0 HA SER A 129 -11.983 -10.165 1.067 1.00 0.00 H new ATOM 0 HB2 SER A 129 -14.017 -10.802 -1.116 1.00 0.00 H new ATOM 0 HB3 SER A 129 -12.609 -11.781 -0.751 1.00 0.00 H new ATOM 0 HG SER A 129 -14.515 -12.550 0.323 1.00 0.00 H new ATOM 773 N THR A 130 -12.374 -8.472 -1.733 1.00 0.00 N ATOM 774 CA THR A 130 -11.650 -7.817 -2.817 1.00 0.00 C ATOM 775 C THR A 130 -10.502 -6.972 -2.275 1.00 0.00 C ATOM 776 O THR A 130 -9.462 -6.835 -2.918 1.00 0.00 O ATOM 777 CB THR A 130 -12.597 -6.943 -3.640 1.00 0.00 C ATOM 778 OG1 THR A 130 -13.882 -7.534 -3.722 1.00 0.00 O ATOM 779 CG2 THR A 130 -12.110 -6.704 -5.052 1.00 0.00 C ATOM 0 H THR A 130 -13.377 -8.287 -1.723 1.00 0.00 H new ATOM 0 HA THR A 130 -11.234 -8.593 -3.459 1.00 0.00 H new ATOM 0 HB THR A 130 -12.636 -5.987 -3.118 1.00 0.00 H new ATOM 0 HG1 THR A 130 -14.473 -6.959 -4.251 1.00 0.00 H new ATOM 0 HG21 THR A 130 -12.827 -6.077 -5.583 1.00 0.00 H new ATOM 0 HG22 THR A 130 -11.142 -6.204 -5.023 1.00 0.00 H new ATOM 0 HG23 THR A 130 -12.010 -7.658 -5.569 1.00 0.00 H new ATOM 787 N GLU A 131 -10.697 -6.410 -1.087 1.00 0.00 N ATOM 788 CA GLU A 131 -9.675 -5.582 -0.458 1.00 0.00 C ATOM 789 C GLU A 131 -8.419 -6.399 -0.179 1.00 0.00 C ATOM 790 O GLU A 131 -7.352 -6.123 -0.727 1.00 0.00 O ATOM 791 CB GLU A 131 -10.205 -4.979 0.845 1.00 0.00 C ATOM 792 CG GLU A 131 -9.200 -4.086 1.555 1.00 0.00 C ATOM 793 CD GLU A 131 -8.612 -4.736 2.791 1.00 0.00 C ATOM 794 OE1 GLU A 131 -9.314 -5.554 3.423 1.00 0.00 O ATOM 795 OE2 GLU A 131 -7.450 -4.427 3.129 1.00 0.00 O ATOM 0 H GLU A 131 -11.552 -6.513 -0.541 1.00 0.00 H new ATOM 0 HA GLU A 131 -9.421 -4.774 -1.144 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -11.103 -4.401 0.629 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -10.499 -5.786 1.516 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -8.395 -3.832 0.865 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -9.686 -3.152 1.837 1.00 0.00 H new ATOM 802 N GLU A 132 -8.555 -7.409 0.674 1.00 0.00 N ATOM 803 CA GLU A 132 -7.430 -8.270 1.024 1.00 0.00 C ATOM 804 C GLU A 132 -6.885 -8.978 -0.211 1.00 0.00 C ATOM 805 O GLU A 132 -5.713 -9.347 -0.260 1.00 0.00 O ATOM 806 CB GLU A 132 -7.851 -9.307 2.070 1.00 0.00 C ATOM 807 CG GLU A 132 -8.777 -8.757 3.145 1.00 0.00 C ATOM 808 CD GLU A 132 -8.230 -8.954 4.546 1.00 0.00 C ATOM 809 OE1 GLU A 132 -7.654 -10.030 4.813 1.00 0.00 O ATOM 810 OE2 GLU A 132 -8.378 -8.032 5.376 1.00 0.00 O ATOM 0 H GLU A 132 -9.432 -7.652 1.135 1.00 0.00 H new ATOM 0 HA GLU A 132 -6.645 -7.641 1.443 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -8.347 -10.136 1.566 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -6.958 -9.712 2.546 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -8.940 -7.694 2.969 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -9.748 -9.245 3.067 1.00 0.00 H new ATOM 817 N LEU A 133 -7.745 -9.169 -1.206 1.00 0.00 N ATOM 818 CA LEU A 133 -7.353 -9.838 -2.441 1.00 0.00 C ATOM 819 C LEU A 133 -6.153 -9.148 -3.088 1.00 0.00 C ATOM 820 O LEU A 133 -5.057 -9.705 -3.136 1.00 0.00 O ATOM 821 CB LEU A 133 -8.532 -9.870 -3.416 1.00 0.00 C ATOM 822 CG LEU A 133 -9.265 -11.212 -3.507 1.00 0.00 C ATOM 823 CD1 LEU A 133 -9.648 -11.715 -2.121 1.00 0.00 C ATOM 824 CD2 LEU A 133 -10.499 -11.084 -4.391 1.00 0.00 C ATOM 0 H LEU A 133 -8.720 -8.869 -1.181 1.00 0.00 H new ATOM 0 HA LEU A 133 -7.061 -10.859 -2.196 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -9.248 -9.102 -3.122 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -8.169 -9.604 -4.409 1.00 0.00 H new ATOM 0 HG LEU A 133 -8.591 -11.941 -3.957 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -10.167 -12.669 -2.211 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -8.748 -11.847 -1.520 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -10.303 -10.989 -1.639 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -11.009 -12.046 -4.446 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -11.174 -10.339 -3.969 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -10.199 -10.775 -5.392 1.00 0.00 H new ATOM 836 N ARG A 134 -6.370 -7.935 -3.588 1.00 0.00 N ATOM 837 CA ARG A 134 -5.308 -7.173 -4.236 1.00 0.00 C ATOM 838 C ARG A 134 -4.165 -6.886 -3.267 1.00 0.00 C ATOM 839 O ARG A 134 -2.992 -6.965 -3.633 1.00 0.00 O ATOM 840 CB ARG A 134 -5.861 -5.858 -4.790 1.00 0.00 C ATOM 841 CG ARG A 134 -6.457 -4.949 -3.727 1.00 0.00 C ATOM 842 CD ARG A 134 -7.364 -3.891 -4.338 1.00 0.00 C ATOM 843 NE ARG A 134 -6.802 -3.320 -5.561 1.00 0.00 N ATOM 844 CZ ARG A 134 -7.083 -3.758 -6.788 1.00 0.00 C ATOM 845 NH1 ARG A 134 -7.909 -4.782 -6.968 1.00 0.00 N ATOM 846 NH2 ARG A 134 -6.531 -3.171 -7.842 1.00 0.00 N ATOM 0 H ARG A 134 -7.272 -7.459 -3.557 1.00 0.00 H new ATOM 0 HA ARG A 134 -4.918 -7.774 -5.057 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -5.061 -5.325 -5.304 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -6.625 -6.081 -5.535 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -7.024 -5.546 -3.013 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -5.655 -4.464 -3.171 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -8.336 -4.332 -4.558 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -7.532 -3.096 -3.612 1.00 0.00 H new ATOM 0 HE ARG A 134 -6.154 -2.537 -5.469 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -8.335 -5.241 -6.163 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -8.117 -5.109 -7.911 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -5.893 -2.386 -7.712 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -6.745 -3.505 -8.782 1.00 0.00 H new ATOM 860 N VAL A 135 -4.516 -6.548 -2.032 1.00 0.00 N ATOM 861 CA VAL A 135 -3.523 -6.242 -1.010 1.00 0.00 C ATOM 862 C VAL A 135 -2.703 -7.479 -0.641 1.00 0.00 C ATOM 863 O VAL A 135 -1.550 -7.366 -0.228 1.00 0.00 O ATOM 864 CB VAL A 135 -4.193 -5.668 0.257 1.00 0.00 C ATOM 865 CG1 VAL A 135 -3.179 -5.475 1.377 1.00 0.00 C ATOM 866 CG2 VAL A 135 -4.899 -4.357 -0.064 1.00 0.00 C ATOM 0 H VAL A 135 -5.483 -6.479 -1.714 1.00 0.00 H new ATOM 0 HA VAL A 135 -2.852 -5.492 -1.428 1.00 0.00 H new ATOM 0 HB VAL A 135 -4.936 -6.387 0.603 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -3.680 -5.070 2.256 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -2.727 -6.435 1.628 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -2.403 -4.782 1.050 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -5.366 -3.965 0.839 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -4.173 -3.636 -0.440 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -5.663 -4.531 -0.822 1.00 0.00 H new ATOM 876 N ARG A 136 -3.304 -8.655 -0.789 1.00 0.00 N ATOM 877 CA ARG A 136 -2.625 -9.908 -0.466 1.00 0.00 C ATOM 878 C ARG A 136 -1.453 -10.160 -1.409 1.00 0.00 C ATOM 879 O ARG A 136 -0.406 -10.657 -0.994 1.00 0.00 O ATOM 880 CB ARG A 136 -3.607 -11.079 -0.538 1.00 0.00 C ATOM 881 CG ARG A 136 -4.272 -11.401 0.790 1.00 0.00 C ATOM 882 CD ARG A 136 -5.583 -12.145 0.591 1.00 0.00 C ATOM 883 NE ARG A 136 -5.370 -13.566 0.327 1.00 0.00 N ATOM 884 CZ ARG A 136 -6.317 -14.494 0.452 1.00 0.00 C ATOM 885 NH1 ARG A 136 -7.541 -14.154 0.837 1.00 0.00 N ATOM 886 NH2 ARG A 136 -6.040 -15.764 0.191 1.00 0.00 N ATOM 0 H ARG A 136 -4.259 -8.768 -1.130 1.00 0.00 H new ATOM 0 HA ARG A 136 -2.238 -9.824 0.549 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -4.378 -10.851 -1.274 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -3.079 -11.964 -0.894 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -3.599 -12.005 1.398 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -4.456 -10.478 1.339 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -6.204 -12.030 1.480 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -6.130 -11.700 -0.240 1.00 0.00 H new ATOM 0 HE ARG A 136 -4.441 -13.865 0.029 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -7.760 -13.178 1.039 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -8.263 -14.868 0.931 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -5.101 -16.031 -0.106 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -6.766 -16.474 0.287 1.00 0.00 H new ATOM 900 N LEU A 137 -1.638 -9.824 -2.679 1.00 0.00 N ATOM 901 CA LEU A 137 -0.599 -10.022 -3.681 1.00 0.00 C ATOM 902 C LEU A 137 0.652 -9.213 -3.348 1.00 0.00 C ATOM 903 O LEU A 137 1.743 -9.766 -3.216 1.00 0.00 O ATOM 904 CB LEU A 137 -1.121 -9.631 -5.066 1.00 0.00 C ATOM 905 CG LEU A 137 -0.147 -9.863 -6.226 1.00 0.00 C ATOM 906 CD1 LEU A 137 0.893 -8.754 -6.281 1.00 0.00 C ATOM 907 CD2 LEU A 137 0.528 -11.223 -6.101 1.00 0.00 C ATOM 0 H LEU A 137 -2.499 -9.413 -3.040 1.00 0.00 H new ATOM 0 HA LEU A 137 -0.330 -11.078 -3.682 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -2.034 -10.193 -5.263 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -1.393 -8.576 -5.048 1.00 0.00 H new ATOM 0 HG LEU A 137 -0.716 -9.849 -7.156 1.00 0.00 H new ATOM 0 HD11 LEU A 137 1.576 -8.936 -7.111 1.00 0.00 H new ATOM 0 HD12 LEU A 137 0.395 -7.795 -6.424 1.00 0.00 H new ATOM 0 HD13 LEU A 137 1.454 -8.735 -5.347 1.00 0.00 H new ATOM 0 HD21 LEU A 137 1.215 -11.366 -6.935 1.00 0.00 H new ATOM 0 HD22 LEU A 137 1.081 -11.270 -5.163 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -0.229 -12.007 -6.115 1.00 0.00 H new ATOM 919 N ALA A 138 0.486 -7.901 -3.220 1.00 0.00 N ATOM 920 CA ALA A 138 1.603 -7.015 -2.910 1.00 0.00 C ATOM 921 C ALA A 138 2.288 -7.406 -1.603 1.00 0.00 C ATOM 922 O ALA A 138 3.453 -7.076 -1.383 1.00 0.00 O ATOM 923 CB ALA A 138 1.128 -5.574 -2.847 1.00 0.00 C ATOM 0 H ALA A 138 -0.411 -7.427 -3.326 1.00 0.00 H new ATOM 0 HA ALA A 138 2.337 -7.115 -3.709 1.00 0.00 H new ATOM 0 HB1 ALA A 138 1.971 -4.923 -2.615 1.00 0.00 H new ATOM 0 HB2 ALA A 138 0.703 -5.289 -3.809 1.00 0.00 H new ATOM 0 HB3 ALA A 138 0.369 -5.475 -2.071 1.00 0.00 H new ATOM 929 N SER A 139 1.564 -8.110 -0.739 1.00 0.00 N ATOM 930 CA SER A 139 2.114 -8.541 0.543 1.00 0.00 C ATOM 931 C SER A 139 3.204 -9.597 0.358 1.00 0.00 C ATOM 932 O SER A 139 3.931 -9.919 1.298 1.00 0.00 O ATOM 933 CB SER A 139 1.002 -9.096 1.434 1.00 0.00 C ATOM 934 OG SER A 139 1.538 -9.763 2.563 1.00 0.00 O ATOM 0 H SER A 139 0.598 -8.394 -0.902 1.00 0.00 H new ATOM 0 HA SER A 139 2.563 -7.670 1.021 1.00 0.00 H new ATOM 0 HB2 SER A 139 0.354 -8.283 1.762 1.00 0.00 H new ATOM 0 HB3 SER A 139 0.382 -9.786 0.861 1.00 0.00 H new ATOM 0 HG SER A 139 0.807 -10.107 3.117 1.00 0.00 H new ATOM 940 N HIS A 140 3.307 -10.140 -0.852 1.00 0.00 N ATOM 941 CA HIS A 140 4.299 -11.166 -1.150 1.00 0.00 C ATOM 942 C HIS A 140 5.725 -10.665 -0.918 1.00 0.00 C ATOM 943 O HIS A 140 6.615 -11.446 -0.582 1.00 0.00 O ATOM 944 CB HIS A 140 4.142 -11.652 -2.595 1.00 0.00 C ATOM 945 CG HIS A 140 4.483 -10.621 -3.630 1.00 0.00 C ATOM 946 ND1 HIS A 140 4.281 -9.268 -3.471 1.00 0.00 N ATOM 947 CD2 HIS A 140 5.024 -10.773 -4.866 1.00 0.00 C ATOM 948 CE1 HIS A 140 4.697 -8.655 -4.588 1.00 0.00 C ATOM 949 NE2 HIS A 140 5.157 -9.524 -5.465 1.00 0.00 N ATOM 0 H HIS A 140 2.714 -9.885 -1.642 1.00 0.00 H new ATOM 0 HA HIS A 140 4.125 -11.997 -0.467 1.00 0.00 H new ATOM 0 HB2 HIS A 140 4.778 -12.525 -2.744 1.00 0.00 H new ATOM 0 HB3 HIS A 140 3.113 -11.977 -2.747 1.00 0.00 H new ATOM 0 HD2 HIS A 140 5.306 -11.714 -5.314 1.00 0.00 H new ATOM 0 HE1 HIS A 140 4.660 -7.588 -4.748 1.00 0.00 H new ATOM 0 HE2 HIS A 140 5.533 -9.323 -6.392 1.00 0.00 H new ATOM 957 N LEU A 141 5.943 -9.367 -1.103 1.00 0.00 N ATOM 958 CA LEU A 141 7.269 -8.786 -0.916 1.00 0.00 C ATOM 959 C LEU A 141 7.196 -7.441 -0.199 1.00 0.00 C ATOM 960 O LEU A 141 7.981 -7.167 0.706 1.00 0.00 O ATOM 961 CB LEU A 141 7.965 -8.613 -2.267 1.00 0.00 C ATOM 962 CG LEU A 141 9.287 -7.840 -2.218 1.00 0.00 C ATOM 963 CD1 LEU A 141 10.462 -8.773 -2.465 1.00 0.00 C ATOM 964 CD2 LEU A 141 9.280 -6.701 -3.227 1.00 0.00 C ATOM 0 H LEU A 141 5.223 -8.700 -1.381 1.00 0.00 H new ATOM 0 HA LEU A 141 7.845 -9.471 -0.294 1.00 0.00 H new ATOM 0 HB2 LEU A 141 8.153 -9.599 -2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 141 7.285 -8.099 -2.946 1.00 0.00 H new ATOM 0 HG LEU A 141 9.397 -7.411 -1.222 1.00 0.00 H new ATOM 0 HD11 LEU A 141 11.392 -8.205 -2.426 1.00 0.00 H new ATOM 0 HD12 LEU A 141 10.478 -9.548 -1.699 1.00 0.00 H new ATOM 0 HD13 LEU A 141 10.360 -9.235 -3.447 1.00 0.00 H new ATOM 0 HD21 LEU A 141 10.227 -6.164 -3.177 1.00 0.00 H new ATOM 0 HD22 LEU A 141 9.145 -7.105 -4.230 1.00 0.00 H new ATOM 0 HD23 LEU A 141 8.463 -6.017 -2.998 1.00 0.00 H new ATOM 976 N ARG A 142 6.267 -6.596 -0.625 1.00 0.00 N ATOM 977 CA ARG A 142 6.108 -5.268 -0.040 1.00 0.00 C ATOM 978 C ARG A 142 6.123 -5.310 1.487 1.00 0.00 C ATOM 979 O ARG A 142 6.820 -4.523 2.129 1.00 0.00 O ATOM 980 CB ARG A 142 4.810 -4.631 -0.534 1.00 0.00 C ATOM 981 CG ARG A 142 4.760 -4.466 -2.043 1.00 0.00 C ATOM 982 CD ARG A 142 5.945 -3.658 -2.548 1.00 0.00 C ATOM 983 NE ARG A 142 5.680 -3.047 -3.847 1.00 0.00 N ATOM 984 CZ ARG A 142 5.757 -3.701 -5.003 1.00 0.00 C ATOM 985 NH1 ARG A 142 6.085 -4.987 -5.028 1.00 0.00 N ATOM 986 NH2 ARG A 142 5.507 -3.067 -6.138 1.00 0.00 N ATOM 0 H ARG A 142 5.609 -6.806 -1.376 1.00 0.00 H new ATOM 0 HA ARG A 142 6.957 -4.664 -0.360 1.00 0.00 H new ATOM 0 HB2 ARG A 142 3.967 -5.244 -0.214 1.00 0.00 H new ATOM 0 HB3 ARG A 142 4.690 -3.655 -0.064 1.00 0.00 H new ATOM 0 HG2 ARG A 142 4.756 -5.447 -2.519 1.00 0.00 H new ATOM 0 HG3 ARG A 142 3.831 -3.971 -2.327 1.00 0.00 H new ATOM 0 HD2 ARG A 142 6.187 -2.880 -1.824 1.00 0.00 H new ATOM 0 HD3 ARG A 142 6.819 -4.305 -2.624 1.00 0.00 H new ATOM 0 HE ARG A 142 5.421 -2.061 -3.870 1.00 0.00 H new ATOM 0 HH11 ARG A 142 6.280 -5.481 -4.157 1.00 0.00 H new ATOM 0 HH12 ARG A 142 6.142 -5.482 -5.918 1.00 0.00 H new ATOM 0 HH21 ARG A 142 5.256 -2.078 -6.125 1.00 0.00 H new ATOM 0 HH22 ARG A 142 5.566 -3.567 -7.025 1.00 0.00 H new ATOM 1000 N LYS A 143 5.348 -6.220 2.065 1.00 0.00 N ATOM 1001 CA LYS A 143 5.275 -6.344 3.518 1.00 0.00 C ATOM 1002 C LYS A 143 6.174 -7.466 4.040 1.00 0.00 C ATOM 1003 O LYS A 143 6.373 -7.595 5.248 1.00 0.00 O ATOM 1004 CB LYS A 143 3.830 -6.584 3.951 1.00 0.00 C ATOM 1005 CG LYS A 143 3.275 -5.481 4.837 1.00 0.00 C ATOM 1006 CD LYS A 143 3.083 -4.187 4.064 1.00 0.00 C ATOM 1007 CE LYS A 143 1.816 -3.464 4.493 1.00 0.00 C ATOM 1008 NZ LYS A 143 2.073 -2.506 5.603 1.00 0.00 N ATOM 0 H LYS A 143 4.763 -6.881 1.554 1.00 0.00 H new ATOM 0 HA LYS A 143 5.633 -5.409 3.948 1.00 0.00 H new ATOM 0 HB2 LYS A 143 3.203 -6.677 3.064 1.00 0.00 H new ATOM 0 HB3 LYS A 143 3.771 -7.533 4.484 1.00 0.00 H new ATOM 0 HG2 LYS A 143 2.322 -5.798 5.260 1.00 0.00 H new ATOM 0 HG3 LYS A 143 3.953 -5.309 5.673 1.00 0.00 H new ATOM 0 HD2 LYS A 143 3.944 -3.538 4.220 1.00 0.00 H new ATOM 0 HD3 LYS A 143 3.036 -4.403 2.997 1.00 0.00 H new ATOM 0 HE2 LYS A 143 1.397 -2.929 3.641 1.00 0.00 H new ATOM 0 HE3 LYS A 143 1.071 -4.194 4.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 1.185 -2.034 5.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 2.449 -3.020 6.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 2.765 -1.794 5.294 1.00 0.00 H new ATOM 1022 N LEU A 144 6.713 -8.278 3.134 1.00 0.00 N ATOM 1023 CA LEU A 144 7.583 -9.384 3.525 1.00 0.00 C ATOM 1024 C LEU A 144 9.059 -9.025 3.350 1.00 0.00 C ATOM 1025 O LEU A 144 9.939 -9.726 3.849 1.00 0.00 O ATOM 1026 CB LEU A 144 7.249 -10.634 2.708 1.00 0.00 C ATOM 1027 CG LEU A 144 6.121 -11.496 3.278 1.00 0.00 C ATOM 1028 CD1 LEU A 144 5.503 -12.357 2.189 1.00 0.00 C ATOM 1029 CD2 LEU A 144 6.638 -12.363 4.416 1.00 0.00 C ATOM 0 H LEU A 144 6.564 -8.192 2.129 1.00 0.00 H new ATOM 0 HA LEU A 144 7.408 -9.586 4.582 1.00 0.00 H new ATOM 0 HB2 LEU A 144 6.977 -10.328 1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 144 8.147 -11.246 2.625 1.00 0.00 H new ATOM 0 HG LEU A 144 5.348 -10.835 3.671 1.00 0.00 H new ATOM 0 HD11 LEU A 144 4.703 -12.963 2.614 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.097 -11.717 1.406 1.00 0.00 H new ATOM 0 HD13 LEU A 144 6.266 -13.010 1.765 1.00 0.00 H new ATOM 0 HD21 LEU A 144 5.823 -12.970 4.810 1.00 0.00 H new ATOM 0 HD22 LEU A 144 7.430 -13.015 4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 144 7.032 -11.727 5.208 1.00 0.00 H new