USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=14 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 Single : A 2 SER OG : rot 22:sc= 0.352 USER MOD Single : A 2ALYS NZ :NH3+ 163:sc= -0.11 (180deg=-0.518) USER MOD Single : A 5 LYS NZ :NH3+ -152:sc= -0.437 (180deg=-4.65!) USER MOD Single : A 6 THR OG1 : rot 170:sc= -0.139 USER MOD Single : A 10 SER OG : rot 15:sc= 0.604 USER MOD Single : A 11 SER OG : rot -170:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -160:sc= -2.17 USER MOD Single : A 18 HIS : no HD1:sc= -0.701 K(o=-0.7,f=-0.1) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 4:sc= -0.906! USER MOD Single : A 47 TYR OH : rot 144:sc= 0.107 USER MOD Single : A 48 ASN : amide:sc= -3.71! C(o=-3.7!,f=-5.8!) USER MOD Single : A 56 SER OG : rot -150:sc=-0.00645 USER MOD Single : A 129 SER OG : rot 180:sc= 0.0118 USER MOD Single : A 130 THR OG1 : rot 180:sc= 0.0608 USER MOD Single : A 139 SER OG : rot 180:sc=-0.00948 USER MOD Single : A 140 HIS : no HD1:sc= -4.84 K(o=-4.8,f=-1.4) USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 2 5.643 9.481 6.250 1.00 0.00 N ATOM 11 CA SER A 2 5.312 8.231 6.925 1.00 0.00 C ATOM 12 C SER A 2 6.311 7.135 6.553 1.00 0.00 C ATOM 13 O SER A 2 7.424 7.425 6.114 1.00 0.00 O ATOM 14 CB SER A 2 3.890 7.795 6.560 1.00 0.00 C ATOM 15 OG SER A 2 3.002 8.898 6.556 1.00 0.00 O ATOM 0 HA SER A 2 5.367 8.396 8.001 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.892 7.323 5.578 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.542 7.047 7.272 1.00 0.00 H new ATOM 0 HG SER A 2 3.511 9.727 6.440 1.00 0.00 H new ATOM 21 N LYS A 2A 5.909 5.878 6.733 1.00 0.00 N ATOM 22 CA LYS A 2A 6.772 4.744 6.414 1.00 0.00 C ATOM 23 C LYS A 2A 6.988 4.632 4.907 1.00 0.00 C ATOM 24 O LYS A 2A 6.546 3.672 4.276 1.00 0.00 O ATOM 25 CB LYS A 2A 6.164 3.442 6.945 1.00 0.00 C ATOM 26 CG LYS A 2A 5.468 3.588 8.289 1.00 0.00 C ATOM 27 CD LYS A 2A 3.954 3.581 8.140 1.00 0.00 C ATOM 28 CE LYS A 2A 3.448 2.237 7.640 1.00 0.00 C ATOM 29 NZ LYS A 2A 3.953 1.109 8.470 1.00 0.00 N ATOM 0 H LYS A 2A 4.992 5.620 7.098 1.00 0.00 H new ATOM 0 HA LYS A 2A 7.736 4.911 6.895 1.00 0.00 H new ATOM 0 HB2 LYS A 2A 5.448 3.063 6.216 1.00 0.00 H new ATOM 0 HB3 LYS A 2A 6.953 2.695 7.035 1.00 0.00 H new ATOM 0 HG2 LYS A 2A 5.773 2.775 8.947 1.00 0.00 H new ATOM 0 HG3 LYS A 2A 5.783 4.517 8.763 1.00 0.00 H new ATOM 0 HD2 LYS A 2A 3.492 3.810 9.100 1.00 0.00 H new ATOM 0 HD3 LYS A 2A 3.652 4.365 7.446 1.00 0.00 H new ATOM 0 HE2 LYS A 2A 2.358 2.234 7.648 1.00 0.00 H new ATOM 0 HE3 LYS A 2A 3.760 2.094 6.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 2A 3.377 0.262 8.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 2A 4.944 0.913 8.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 2A 3.891 1.364 9.476 1.00 0.00 H new ATOM 43 N LEU A 2B 7.670 5.619 4.336 1.00 0.00 N ATOM 44 CA LEU A 2B 7.942 5.631 2.904 1.00 0.00 C ATOM 45 C LEU A 2B 9.354 6.142 2.626 1.00 0.00 C ATOM 46 O LEU A 2B 9.698 7.267 2.987 1.00 0.00 O ATOM 47 CB LEU A 2B 6.915 6.504 2.179 1.00 0.00 C ATOM 48 CG LEU A 2B 5.933 5.741 1.289 1.00 0.00 C ATOM 49 CD1 LEU A 2B 5.214 4.663 2.086 1.00 0.00 C ATOM 50 CD2 LEU A 2B 4.932 6.697 0.656 1.00 0.00 C ATOM 0 H LEU A 2B 8.044 6.421 4.843 1.00 0.00 H new ATOM 0 HA LEU A 2B 7.866 4.609 2.532 1.00 0.00 H new ATOM 0 HB2 LEU A 2B 6.348 7.065 2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 2B 7.447 7.232 1.567 1.00 0.00 H new ATOM 0 HG LEU A 2B 6.497 5.257 0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 2B 4.520 4.131 1.435 1.00 0.00 H new ATOM 0 HD12 LEU A 2B 5.944 3.961 2.489 1.00 0.00 H new ATOM 0 HD13 LEU A 2B 4.663 5.123 2.906 1.00 0.00 H new ATOM 0 HD21 LEU A 2B 4.241 6.136 0.026 1.00 0.00 H new ATOM 0 HD22 LEU A 2B 4.374 7.210 1.439 1.00 0.00 H new ATOM 0 HD23 LEU A 2B 5.463 7.430 0.049 1.00 0.00 H new ATOM 62 N GLU A 3 10.169 5.309 1.985 1.00 0.00 N ATOM 63 CA GLU A 3 11.541 5.684 1.665 1.00 0.00 C ATOM 64 C GLU A 3 11.974 5.108 0.319 1.00 0.00 C ATOM 65 O GLU A 3 12.391 5.844 -0.575 1.00 0.00 O ATOM 66 CB GLU A 3 12.494 5.215 2.767 1.00 0.00 C ATOM 67 CG GLU A 3 12.232 3.795 3.240 1.00 0.00 C ATOM 68 CD GLU A 3 12.349 3.651 4.745 1.00 0.00 C ATOM 69 OE1 GLU A 3 12.081 4.640 5.459 1.00 0.00 O ATOM 70 OE2 GLU A 3 12.710 2.549 5.209 1.00 0.00 O ATOM 0 H GLU A 3 9.904 4.373 1.678 1.00 0.00 H new ATOM 0 HA GLU A 3 11.581 6.771 1.598 1.00 0.00 H new ATOM 0 HB2 GLU A 3 13.519 5.283 2.402 1.00 0.00 H new ATOM 0 HB3 GLU A 3 12.413 5.892 3.617 1.00 0.00 H new ATOM 0 HG2 GLU A 3 11.234 3.490 2.926 1.00 0.00 H new ATOM 0 HG3 GLU A 3 12.938 3.119 2.758 1.00 0.00 H new ATOM 77 N GLY A 4 11.875 3.789 0.179 1.00 0.00 N ATOM 78 CA GLY A 4 12.263 3.147 -1.064 1.00 0.00 C ATOM 79 C GLY A 4 11.764 1.721 -1.166 1.00 0.00 C ATOM 80 O GLY A 4 11.585 1.044 -0.154 1.00 0.00 O ATOM 0 H GLY A 4 11.534 3.155 0.902 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.875 3.724 -1.903 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.350 3.154 -1.148 1.00 0.00 H new ATOM 84 N LYS A 5 11.538 1.264 -2.395 1.00 0.00 N ATOM 85 CA LYS A 5 11.054 -0.091 -2.630 1.00 0.00 C ATOM 86 C LYS A 5 10.852 -0.349 -4.124 1.00 0.00 C ATOM 87 O LYS A 5 11.719 -0.917 -4.789 1.00 0.00 O ATOM 88 CB LYS A 5 9.746 -0.322 -1.872 1.00 0.00 C ATOM 89 CG LYS A 5 9.062 -1.629 -2.226 1.00 0.00 C ATOM 90 CD LYS A 5 7.700 -1.732 -1.570 1.00 0.00 C ATOM 91 CE LYS A 5 7.802 -2.284 -0.161 1.00 0.00 C ATOM 92 NZ LYS A 5 8.709 -3.463 -0.087 1.00 0.00 N ATOM 0 H LYS A 5 11.683 1.813 -3.242 1.00 0.00 H new ATOM 0 HA LYS A 5 11.806 -0.790 -2.263 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.949 -0.306 -0.801 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.065 0.503 -2.080 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.954 -1.704 -3.308 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.685 -2.466 -1.909 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.232 -0.748 -1.543 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.055 -2.375 -2.168 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.166 -1.504 0.508 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.810 -2.568 0.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.414 -4.080 0.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.663 -3.993 -0.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.685 -3.141 0.075 1.00 0.00 H new ATOM 106 N THR A 6 9.701 0.070 -4.641 1.00 0.00 N ATOM 107 CA THR A 6 9.378 -0.116 -6.050 1.00 0.00 C ATOM 108 C THR A 6 8.122 0.664 -6.416 1.00 0.00 C ATOM 109 O THR A 6 7.370 1.091 -5.541 1.00 0.00 O ATOM 110 CB THR A 6 9.175 -1.598 -6.359 1.00 0.00 C ATOM 111 OG1 THR A 6 8.861 -1.787 -7.728 1.00 0.00 O ATOM 112 CG2 THR A 6 8.069 -2.233 -5.543 1.00 0.00 C ATOM 0 H THR A 6 8.975 0.542 -4.102 1.00 0.00 H new ATOM 0 HA THR A 6 10.212 0.258 -6.644 1.00 0.00 H new ATOM 0 HB THR A 6 10.118 -2.079 -6.100 1.00 0.00 H new ATOM 0 HG1 THR A 6 8.893 -2.743 -7.942 1.00 0.00 H new ATOM 0 HG21 THR A 6 7.977 -3.285 -5.811 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.305 -2.148 -4.482 1.00 0.00 H new ATOM 0 HG23 THR A 6 7.127 -1.723 -5.747 1.00 0.00 H new ATOM 120 N CYS A 7 7.898 0.847 -7.712 1.00 0.00 N ATOM 121 CA CYS A 7 6.729 1.580 -8.181 1.00 0.00 C ATOM 122 C CYS A 7 6.210 0.997 -9.494 1.00 0.00 C ATOM 123 O CYS A 7 5.816 1.734 -10.397 1.00 0.00 O ATOM 124 CB CYS A 7 7.062 3.066 -8.373 1.00 0.00 C ATOM 125 SG CYS A 7 8.505 3.659 -7.425 1.00 0.00 S ATOM 0 H CYS A 7 8.507 0.500 -8.453 1.00 0.00 H new ATOM 0 HA CYS A 7 5.952 1.484 -7.423 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.241 3.249 -9.432 1.00 0.00 H new ATOM 0 HB3 CYS A 7 6.192 3.658 -8.090 1.00 0.00 H new ATOM 130 N GLY A 8 6.216 -0.329 -9.596 1.00 0.00 N ATOM 131 CA GLY A 8 5.746 -0.978 -10.808 1.00 0.00 C ATOM 132 C GLY A 8 4.757 -2.095 -10.533 1.00 0.00 C ATOM 133 O GLY A 8 3.549 -1.904 -10.672 1.00 0.00 O ATOM 0 H GLY A 8 6.536 -0.964 -8.865 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.277 -0.235 -11.454 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.600 -1.381 -11.353 1.00 0.00 H new ATOM 137 N PRO A 9 5.242 -3.286 -10.140 1.00 0.00 N ATOM 138 CA PRO A 9 4.380 -4.436 -9.850 1.00 0.00 C ATOM 139 C PRO A 9 3.468 -4.182 -8.657 1.00 0.00 C ATOM 140 O PRO A 9 3.925 -4.121 -7.516 1.00 0.00 O ATOM 141 CB PRO A 9 5.367 -5.567 -9.534 1.00 0.00 C ATOM 142 CG PRO A 9 6.683 -5.101 -10.058 1.00 0.00 C ATOM 143 CD PRO A 9 6.662 -3.606 -9.948 1.00 0.00 C ATOM 0 HA PRO A 9 3.714 -4.661 -10.683 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.416 -5.758 -8.462 1.00 0.00 H new ATOM 0 HB3 PRO A 9 5.062 -6.499 -10.010 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.505 -5.524 -9.481 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.825 -5.415 -11.092 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.026 -3.267 -8.978 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.289 -3.136 -10.706 1.00 0.00 H new ATOM 151 N SER A 10 2.176 -4.032 -8.929 1.00 0.00 N ATOM 152 CA SER A 10 1.196 -3.781 -7.878 1.00 0.00 C ATOM 153 C SER A 10 1.650 -2.643 -6.968 1.00 0.00 C ATOM 154 O SER A 10 1.782 -2.815 -5.756 1.00 0.00 O ATOM 155 CB SER A 10 0.959 -5.049 -7.055 1.00 0.00 C ATOM 156 OG SER A 10 2.161 -5.502 -6.456 1.00 0.00 O ATOM 0 H SER A 10 1.783 -4.080 -9.869 1.00 0.00 H new ATOM 0 HA SER A 10 0.260 -3.488 -8.353 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.216 -4.851 -6.282 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.551 -5.831 -7.696 1.00 0.00 H new ATOM 0 HG SER A 10 2.834 -4.791 -6.496 1.00 0.00 H new ATOM 162 N SER A 11 1.890 -1.480 -7.563 1.00 0.00 N ATOM 163 CA SER A 11 2.331 -0.313 -6.809 1.00 0.00 C ATOM 164 C SER A 11 1.490 0.913 -7.146 1.00 0.00 C ATOM 165 O SER A 11 0.871 0.984 -8.208 1.00 0.00 O ATOM 166 CB SER A 11 3.808 -0.027 -7.087 1.00 0.00 C ATOM 167 OG SER A 11 4.575 -1.218 -7.046 1.00 0.00 O ATOM 0 H SER A 11 1.787 -1.320 -8.565 1.00 0.00 H new ATOM 0 HA SER A 11 2.203 -0.533 -5.749 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.913 0.443 -8.065 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.189 0.680 -6.351 1.00 0.00 H new ATOM 0 HG SER A 11 5.529 -0.994 -7.069 1.00 0.00 H new ATOM 173 N PHE A 12 1.473 1.876 -6.230 1.00 0.00 N ATOM 174 CA PHE A 12 0.709 3.104 -6.417 1.00 0.00 C ATOM 175 C PHE A 12 1.556 4.325 -6.064 1.00 0.00 C ATOM 176 O PHE A 12 2.111 4.409 -4.971 1.00 0.00 O ATOM 177 CB PHE A 12 -0.556 3.068 -5.551 1.00 0.00 C ATOM 178 CG PHE A 12 -1.260 4.391 -5.437 1.00 0.00 C ATOM 179 CD1 PHE A 12 -1.838 4.982 -6.549 1.00 0.00 C ATOM 180 CD2 PHE A 12 -1.345 5.041 -4.217 1.00 0.00 C ATOM 181 CE1 PHE A 12 -2.487 6.198 -6.446 1.00 0.00 C ATOM 182 CE2 PHE A 12 -1.992 6.256 -4.107 1.00 0.00 C ATOM 183 CZ PHE A 12 -2.565 6.836 -5.222 1.00 0.00 C ATOM 0 H PHE A 12 1.982 1.829 -5.347 1.00 0.00 H new ATOM 0 HA PHE A 12 0.421 3.179 -7.466 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.247 2.335 -5.967 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.290 2.723 -4.552 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.781 4.487 -7.507 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -0.900 4.592 -3.341 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.932 6.649 -7.320 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.050 6.753 -3.150 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.073 7.786 -5.138 1.00 0.00 H new ATOM 193 N SER A 13 1.649 5.270 -6.994 1.00 0.00 N ATOM 194 CA SER A 13 2.428 6.483 -6.768 1.00 0.00 C ATOM 195 C SER A 13 1.723 7.399 -5.773 1.00 0.00 C ATOM 196 O SER A 13 0.617 7.874 -6.029 1.00 0.00 O ATOM 197 CB SER A 13 2.660 7.222 -8.086 1.00 0.00 C ATOM 198 OG SER A 13 3.611 8.261 -7.927 1.00 0.00 O ATOM 0 H SER A 13 1.197 5.220 -7.907 1.00 0.00 H new ATOM 0 HA SER A 13 3.393 6.194 -6.351 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.007 6.520 -8.844 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.718 7.638 -8.444 1.00 0.00 H new ATOM 0 HG SER A 13 3.743 8.717 -8.784 1.00 0.00 H new ATOM 204 N CYS A 14 2.369 7.640 -4.636 1.00 0.00 N ATOM 205 CA CYS A 14 1.800 8.495 -3.601 1.00 0.00 C ATOM 206 C CYS A 14 1.500 9.892 -4.149 1.00 0.00 C ATOM 207 O CYS A 14 2.413 10.664 -4.444 1.00 0.00 O ATOM 208 CB CYS A 14 2.752 8.588 -2.404 1.00 0.00 C ATOM 209 SG CYS A 14 2.366 7.441 -1.037 1.00 0.00 S ATOM 0 H CYS A 14 3.286 7.255 -4.409 1.00 0.00 H new ATOM 0 HA CYS A 14 0.862 8.049 -3.271 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.768 8.394 -2.748 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.735 9.608 -2.021 1.00 0.00 H new ATOM 214 N PRO A 15 0.206 10.230 -4.295 1.00 0.00 N ATOM 215 CA PRO A 15 -0.227 11.533 -4.815 1.00 0.00 C ATOM 216 C PRO A 15 0.356 12.704 -4.032 1.00 0.00 C ATOM 217 O PRO A 15 0.417 12.675 -2.802 1.00 0.00 O ATOM 218 CB PRO A 15 -1.749 11.498 -4.652 1.00 0.00 C ATOM 219 CG PRO A 15 -2.099 10.052 -4.620 1.00 0.00 C ATOM 220 CD PRO A 15 -0.936 9.361 -3.969 1.00 0.00 C ATOM 0 HA PRO A 15 0.107 11.683 -5.842 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.060 12.000 -3.736 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.246 12.006 -5.478 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.017 9.885 -4.057 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.268 9.669 -5.626 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.076 9.269 -2.892 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.798 8.353 -4.360 1.00 0.00 H new ATOM 228 N GLY A 16 0.777 13.739 -4.754 1.00 0.00 N ATOM 229 CA GLY A 16 1.343 14.913 -4.114 1.00 0.00 C ATOM 230 C GLY A 16 2.835 14.793 -3.871 1.00 0.00 C ATOM 231 O GLY A 16 3.578 15.758 -4.048 1.00 0.00 O ATOM 0 H GLY A 16 0.736 13.785 -5.772 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.151 15.787 -4.736 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.838 15.081 -3.163 1.00 0.00 H new ATOM 235 N THR A 17 3.275 13.609 -3.459 1.00 0.00 N ATOM 236 CA THR A 17 4.685 13.371 -3.185 1.00 0.00 C ATOM 237 C THR A 17 5.362 12.659 -4.348 1.00 0.00 C ATOM 238 O THR A 17 4.700 12.125 -5.239 1.00 0.00 O ATOM 239 CB THR A 17 4.840 12.540 -1.911 1.00 0.00 C ATOM 240 OG1 THR A 17 3.902 11.479 -1.889 1.00 0.00 O ATOM 241 CG2 THR A 17 4.652 13.346 -0.645 1.00 0.00 C ATOM 0 H THR A 17 2.674 12.799 -3.308 1.00 0.00 H new ATOM 0 HA THR A 17 5.167 14.339 -3.049 1.00 0.00 H new ATOM 0 HB THR A 17 5.863 12.163 -1.933 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.790 11.161 -0.969 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.775 12.696 0.222 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.393 14.144 -0.608 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.652 13.779 -0.635 1.00 0.00 H new ATOM 249 N HIS A 18 6.689 12.643 -4.319 1.00 0.00 N ATOM 250 CA HIS A 18 7.479 11.985 -5.353 1.00 0.00 C ATOM 251 C HIS A 18 7.815 10.560 -4.924 1.00 0.00 C ATOM 252 O HIS A 18 8.841 10.005 -5.317 1.00 0.00 O ATOM 253 CB HIS A 18 8.769 12.765 -5.598 1.00 0.00 C ATOM 254 CG HIS A 18 9.576 12.963 -4.353 1.00 0.00 C ATOM 255 ND1 HIS A 18 10.597 12.128 -3.958 1.00 0.00 N ATOM 256 CD2 HIS A 18 9.484 13.920 -3.395 1.00 0.00 C ATOM 257 CE1 HIS A 18 11.080 12.589 -2.797 1.00 0.00 C ATOM 258 NE2 HIS A 18 10.439 13.677 -2.413 1.00 0.00 N ATOM 0 H HIS A 18 7.244 13.082 -3.585 1.00 0.00 H new ATOM 0 HA HIS A 18 6.898 11.954 -6.275 1.00 0.00 H new ATOM 0 HB2 HIS A 18 9.373 12.236 -6.336 1.00 0.00 H new ATOM 0 HB3 HIS A 18 8.524 13.738 -6.025 1.00 0.00 H new ATOM 0 HD2 HIS A 18 8.781 14.740 -3.395 1.00 0.00 H new ATOM 0 HE1 HIS A 18 11.888 12.130 -2.247 1.00 0.00 H new ATOM 0 HE2 HIS A 18 10.609 14.226 -1.570 1.00 0.00 H new ATOM 266 N VAL A 19 6.949 9.987 -4.096 1.00 0.00 N ATOM 267 CA VAL A 19 7.147 8.641 -3.583 1.00 0.00 C ATOM 268 C VAL A 19 6.106 7.674 -4.142 1.00 0.00 C ATOM 269 O VAL A 19 5.037 8.087 -4.593 1.00 0.00 O ATOM 270 CB VAL A 19 7.076 8.636 -2.042 1.00 0.00 C ATOM 271 CG1 VAL A 19 5.775 9.265 -1.562 1.00 0.00 C ATOM 272 CG2 VAL A 19 7.232 7.225 -1.494 1.00 0.00 C ATOM 0 H VAL A 19 6.097 10.440 -3.765 1.00 0.00 H new ATOM 0 HA VAL A 19 8.135 8.310 -3.903 1.00 0.00 H new ATOM 0 HB VAL A 19 7.904 9.235 -1.663 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.745 9.252 -0.473 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.717 10.295 -1.914 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.930 8.699 -1.955 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.178 7.249 -0.406 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.433 6.593 -1.883 1.00 0.00 H new ATOM 0 HG23 VAL A 19 8.196 6.820 -1.801 1.00 0.00 H new ATOM 282 N CYS A 20 6.428 6.385 -4.105 1.00 0.00 N ATOM 283 CA CYS A 20 5.526 5.354 -4.602 1.00 0.00 C ATOM 284 C CYS A 20 5.239 4.319 -3.519 1.00 0.00 C ATOM 285 O CYS A 20 6.158 3.745 -2.935 1.00 0.00 O ATOM 286 CB CYS A 20 6.126 4.669 -5.831 1.00 0.00 C ATOM 287 SG CYS A 20 7.781 3.962 -5.553 1.00 0.00 S ATOM 0 H CYS A 20 7.309 6.030 -3.735 1.00 0.00 H new ATOM 0 HA CYS A 20 4.588 5.832 -4.884 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.453 3.875 -6.156 1.00 0.00 H new ATOM 0 HB3 CYS A 20 6.183 5.392 -6.645 1.00 0.00 H new ATOM 292 N VAL A 21 3.958 4.087 -3.255 1.00 0.00 N ATOM 293 CA VAL A 21 3.546 3.125 -2.242 1.00 0.00 C ATOM 294 C VAL A 21 2.891 1.899 -2.885 1.00 0.00 C ATOM 295 O VAL A 21 1.963 2.031 -3.684 1.00 0.00 O ATOM 296 CB VAL A 21 2.575 3.769 -1.232 1.00 0.00 C ATOM 297 CG1 VAL A 21 1.236 4.082 -1.885 1.00 0.00 C ATOM 298 CG2 VAL A 21 2.390 2.878 -0.014 1.00 0.00 C ATOM 0 H VAL A 21 3.186 4.554 -3.730 1.00 0.00 H new ATOM 0 HA VAL A 21 4.441 2.804 -1.710 1.00 0.00 H new ATOM 0 HB VAL A 21 3.013 4.710 -0.899 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.570 4.535 -1.151 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.388 4.774 -2.713 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.790 3.161 -2.260 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.701 3.354 0.684 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.984 1.916 -0.326 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.352 2.725 0.474 1.00 0.00 H new ATOM 308 N PRO A 22 3.374 0.688 -2.554 1.00 0.00 N ATOM 309 CA PRO A 22 2.840 -0.562 -3.112 1.00 0.00 C ATOM 310 C PRO A 22 1.336 -0.711 -2.910 1.00 0.00 C ATOM 311 O PRO A 22 0.748 -0.079 -2.033 1.00 0.00 O ATOM 312 CB PRO A 22 3.588 -1.648 -2.342 1.00 0.00 C ATOM 313 CG PRO A 22 4.846 -0.992 -1.897 1.00 0.00 C ATOM 314 CD PRO A 22 4.486 0.437 -1.620 1.00 0.00 C ATOM 0 HA PRO A 22 2.981 -0.606 -4.192 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.005 -2.005 -1.493 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.793 -2.512 -2.974 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.244 -1.475 -1.005 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.615 -1.059 -2.666 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.182 0.583 -0.583 1.00 0.00 H new ATOM 0 HD3 PRO A 22 5.326 1.107 -1.803 1.00 0.00 H new ATOM 322 N GLU A 23 0.723 -1.559 -3.731 1.00 0.00 N ATOM 323 CA GLU A 23 -0.712 -1.805 -3.651 1.00 0.00 C ATOM 324 C GLU A 23 -1.086 -2.408 -2.301 1.00 0.00 C ATOM 325 O GLU A 23 -2.190 -2.197 -1.804 1.00 0.00 O ATOM 326 CB GLU A 23 -1.154 -2.733 -4.783 1.00 0.00 C ATOM 327 CG GLU A 23 -2.495 -2.355 -5.388 1.00 0.00 C ATOM 328 CD GLU A 23 -2.927 -3.306 -6.488 1.00 0.00 C ATOM 329 OE1 GLU A 23 -2.940 -4.531 -6.242 1.00 0.00 O ATOM 330 OE2 GLU A 23 -3.252 -2.826 -7.594 1.00 0.00 O ATOM 0 H GLU A 23 1.200 -2.088 -4.461 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.227 -0.850 -3.754 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.396 -2.724 -5.566 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.210 -3.754 -4.405 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.253 -2.343 -4.604 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.436 -1.343 -5.790 1.00 0.00 H new ATOM 337 N ARG A 24 -0.161 -3.151 -1.706 1.00 0.00 N ATOM 338 CA ARG A 24 -0.408 -3.765 -0.408 1.00 0.00 C ATOM 339 C ARG A 24 -0.437 -2.703 0.680 1.00 0.00 C ATOM 340 O ARG A 24 -1.126 -2.848 1.690 1.00 0.00 O ATOM 341 CB ARG A 24 0.664 -4.806 -0.088 1.00 0.00 C ATOM 342 CG ARG A 24 0.118 -6.027 0.625 1.00 0.00 C ATOM 343 CD ARG A 24 -0.185 -5.733 2.084 1.00 0.00 C ATOM 344 NE ARG A 24 0.706 -6.453 2.989 1.00 0.00 N ATOM 345 CZ ARG A 24 0.397 -6.755 4.250 1.00 0.00 C ATOM 346 NH1 ARG A 24 -0.771 -6.388 4.762 1.00 0.00 N ATOM 347 NH2 ARG A 24 1.263 -7.422 5.001 1.00 0.00 N ATOM 0 H ARG A 24 0.761 -3.342 -2.098 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.377 -4.264 -0.447 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.145 -5.119 -1.015 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.434 -4.346 0.531 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.790 -6.365 0.125 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.840 -6.841 0.559 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.094 -4.662 2.263 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.218 -6.006 2.301 1.00 0.00 H new ATOM 0 HE ARG A 24 1.618 -6.742 2.636 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.439 -5.871 4.190 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.001 -6.623 5.728 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.164 -7.703 4.613 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.028 -7.654 5.966 1.00 0.00 H new ATOM 361 N TRP A 25 0.316 -1.633 0.462 1.00 0.00 N ATOM 362 CA TRP A 25 0.387 -0.540 1.417 1.00 0.00 C ATOM 363 C TRP A 25 -0.790 0.424 1.250 1.00 0.00 C ATOM 364 O TRP A 25 -0.833 1.473 1.891 1.00 0.00 O ATOM 365 CB TRP A 25 1.710 0.205 1.249 1.00 0.00 C ATOM 366 CG TRP A 25 2.913 -0.649 1.522 1.00 0.00 C ATOM 367 CD1 TRP A 25 2.959 -2.014 1.575 1.00 0.00 C ATOM 368 CD2 TRP A 25 4.248 -0.194 1.774 1.00 0.00 C ATOM 369 NE1 TRP A 25 4.239 -2.433 1.843 1.00 0.00 N ATOM 370 CE2 TRP A 25 5.048 -1.335 1.970 1.00 0.00 C ATOM 371 CE3 TRP A 25 4.845 1.068 1.852 1.00 0.00 C ATOM 372 CZ2 TRP A 25 6.411 -1.252 2.237 1.00 0.00 C ATOM 373 CZ3 TRP A 25 6.199 1.147 2.119 1.00 0.00 C ATOM 374 CH2 TRP A 25 6.969 -0.006 2.308 1.00 0.00 C ATOM 0 H TRP A 25 0.888 -1.500 -0.372 1.00 0.00 H new ATOM 0 HA TRP A 25 0.332 -0.959 2.422 1.00 0.00 H new ATOM 0 HB2 TRP A 25 1.773 0.594 0.233 1.00 0.00 H new ATOM 0 HB3 TRP A 25 1.723 1.063 1.921 1.00 0.00 H new ATOM 0 HD1 TRP A 25 2.112 -2.668 1.428 1.00 0.00 H new ATOM 0 HE1 TRP A 25 4.539 -3.404 1.933 1.00 0.00 H new ATOM 0 HE3 TRP A 25 4.260 1.964 1.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.007 -2.141 2.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 6.671 2.116 2.183 1.00 0.00 H new ATOM 0 HH2 TRP A 25 8.025 0.090 2.514 1.00 0.00 H new ATOM 385 N LEU A 26 -1.745 0.063 0.392 1.00 0.00 N ATOM 386 CA LEU A 26 -2.917 0.896 0.159 1.00 0.00 C ATOM 387 C LEU A 26 -3.922 0.732 1.295 1.00 0.00 C ATOM 388 O LEU A 26 -4.242 1.687 1.999 1.00 0.00 O ATOM 389 CB LEU A 26 -3.573 0.527 -1.175 1.00 0.00 C ATOM 390 CG LEU A 26 -3.171 1.392 -2.374 1.00 0.00 C ATOM 391 CD1 LEU A 26 -1.680 1.698 -2.356 1.00 0.00 C ATOM 392 CD2 LEU A 26 -3.561 0.704 -3.674 1.00 0.00 C ATOM 0 H LEU A 26 -1.727 -0.800 -0.151 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.597 1.937 0.121 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.332 -0.511 -1.402 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.655 0.584 -1.055 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.706 2.339 -2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.424 2.313 -3.219 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.430 2.235 -1.441 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.117 0.766 -2.396 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.270 1.329 -4.518 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.053 -0.258 -3.743 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.640 0.548 -3.693 1.00 0.00 H new ATOM 404 N CYS A 27 -4.415 -0.490 1.462 1.00 0.00 N ATOM 405 CA CYS A 27 -5.390 -0.790 2.507 1.00 0.00 C ATOM 406 C CYS A 27 -4.780 -1.680 3.589 1.00 0.00 C ATOM 407 O CYS A 27 -5.428 -2.604 4.081 1.00 0.00 O ATOM 408 CB CYS A 27 -6.616 -1.480 1.904 1.00 0.00 C ATOM 409 SG CYS A 27 -7.131 -0.812 0.290 1.00 0.00 S ATOM 0 H CYS A 27 -4.156 -1.291 0.887 1.00 0.00 H new ATOM 0 HA CYS A 27 -5.693 0.152 2.964 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -6.403 -2.543 1.793 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.448 -1.393 2.603 1.00 0.00 H new ATOM 414 N ASP A 28 -3.534 -1.400 3.957 1.00 0.00 N ATOM 415 CA ASP A 28 -2.849 -2.182 4.980 1.00 0.00 C ATOM 416 C ASP A 28 -3.296 -1.771 6.382 1.00 0.00 C ATOM 417 O ASP A 28 -3.158 -2.536 7.336 1.00 0.00 O ATOM 418 CB ASP A 28 -1.331 -2.026 4.846 1.00 0.00 C ATOM 419 CG ASP A 28 -0.853 -0.629 5.193 1.00 0.00 C ATOM 420 OD1 ASP A 28 -1.052 -0.203 6.350 1.00 0.00 O ATOM 421 OD2 ASP A 28 -0.277 0.038 4.308 1.00 0.00 O ATOM 0 H ASP A 28 -2.979 -0.640 3.563 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.113 -3.229 4.831 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.837 -2.747 5.497 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.034 -2.264 3.824 1.00 0.00 H new ATOM 426 N GLY A 29 -3.832 -0.559 6.499 1.00 0.00 N ATOM 427 CA GLY A 29 -4.288 -0.073 7.789 1.00 0.00 C ATOM 428 C GLY A 29 -3.383 1.003 8.357 1.00 0.00 C ATOM 429 O GLY A 29 -3.154 1.058 9.565 1.00 0.00 O ATOM 0 H GLY A 29 -3.958 0.094 5.725 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.299 0.323 7.688 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.341 -0.906 8.490 1.00 0.00 H new ATOM 433 N ASP A 30 -2.868 1.861 7.483 1.00 0.00 N ATOM 434 CA ASP A 30 -1.983 2.943 7.899 1.00 0.00 C ATOM 435 C ASP A 30 -1.647 3.850 6.719 1.00 0.00 C ATOM 436 O ASP A 30 -0.996 3.427 5.765 1.00 0.00 O ATOM 437 CB ASP A 30 -0.698 2.374 8.506 1.00 0.00 C ATOM 438 CG ASP A 30 -0.671 2.495 10.017 1.00 0.00 C ATOM 439 OD1 ASP A 30 -0.611 3.637 10.520 1.00 0.00 O ATOM 440 OD2 ASP A 30 -0.708 1.449 10.697 1.00 0.00 O ATOM 0 H ASP A 30 -3.049 1.828 6.480 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.500 3.535 8.654 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.600 1.325 8.226 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.162 2.897 8.087 1.00 0.00 H new ATOM 445 N LYS A 31 -2.098 5.099 6.789 1.00 0.00 N ATOM 446 CA LYS A 31 -1.850 6.064 5.722 1.00 0.00 C ATOM 447 C LYS A 31 -0.362 6.181 5.419 1.00 0.00 C ATOM 448 O LYS A 31 0.351 6.971 6.037 1.00 0.00 O ATOM 449 CB LYS A 31 -2.414 7.432 6.102 1.00 0.00 C ATOM 450 CG LYS A 31 -3.926 7.441 6.237 1.00 0.00 C ATOM 451 CD LYS A 31 -4.447 8.822 6.599 1.00 0.00 C ATOM 452 CE LYS A 31 -5.738 9.140 5.863 1.00 0.00 C ATOM 453 NZ LYS A 31 -6.750 9.765 6.759 1.00 0.00 N ATOM 0 H LYS A 31 -2.637 5.467 7.573 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.354 5.706 4.824 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.970 7.751 7.045 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.119 8.161 5.348 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.377 7.115 5.300 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.228 6.726 7.002 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.617 8.878 7.674 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.694 9.572 6.356 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.525 9.812 5.031 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.147 8.224 5.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.615 9.966 6.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.972 9.114 7.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.370 10.652 7.146 1.00 0.00 H new ATOM 467 N ASP A 32 0.097 5.389 4.458 1.00 0.00 N ATOM 468 CA ASP A 32 1.497 5.398 4.062 1.00 0.00 C ATOM 469 C ASP A 32 1.853 6.703 3.361 1.00 0.00 C ATOM 470 O ASP A 32 2.919 7.274 3.592 1.00 0.00 O ATOM 471 CB ASP A 32 1.791 4.217 3.138 1.00 0.00 C ATOM 472 CG ASP A 32 1.484 2.881 3.788 1.00 0.00 C ATOM 473 OD1 ASP A 32 0.292 2.510 3.849 1.00 0.00 O ATOM 474 OD2 ASP A 32 2.435 2.207 4.236 1.00 0.00 O ATOM 0 H ASP A 32 -0.483 4.731 3.938 1.00 0.00 H new ATOM 0 HA ASP A 32 2.106 5.310 4.962 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.202 4.318 2.226 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.840 4.242 2.844 1.00 0.00 H new ATOM 479 N CYS A 33 0.953 7.171 2.504 1.00 0.00 N ATOM 480 CA CYS A 33 1.171 8.411 1.771 1.00 0.00 C ATOM 481 C CYS A 33 1.152 9.608 2.717 1.00 0.00 C ATOM 482 O CYS A 33 1.079 9.448 3.935 1.00 0.00 O ATOM 483 CB CYS A 33 0.103 8.587 0.686 1.00 0.00 C ATOM 484 SG CYS A 33 0.349 7.566 -0.809 1.00 0.00 S ATOM 0 H CYS A 33 0.066 6.710 2.300 1.00 0.00 H new ATOM 0 HA CYS A 33 2.151 8.356 1.297 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.871 8.350 1.114 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.075 9.636 0.391 1.00 0.00 H new ATOM 489 N ALA A 34 1.225 10.804 2.146 1.00 0.00 N ATOM 490 CA ALA A 34 1.222 12.030 2.932 1.00 0.00 C ATOM 491 C ALA A 34 -0.150 12.306 3.538 1.00 0.00 C ATOM 492 O ALA A 34 -0.254 12.774 4.672 1.00 0.00 O ATOM 493 CB ALA A 34 1.659 13.201 2.068 1.00 0.00 C ATOM 0 H ALA A 34 1.287 10.950 1.138 1.00 0.00 H new ATOM 0 HA ALA A 34 1.927 11.903 3.754 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.654 14.114 2.663 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.665 13.019 1.691 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.971 13.311 1.229 1.00 0.00 H new ATOM 499 N ASP A 35 -1.201 12.022 2.776 1.00 0.00 N ATOM 500 CA ASP A 35 -2.565 12.250 3.243 1.00 0.00 C ATOM 501 C ASP A 35 -3.401 10.977 3.161 1.00 0.00 C ATOM 502 O ASP A 35 -4.613 11.034 2.952 1.00 0.00 O ATOM 503 CB ASP A 35 -3.226 13.360 2.423 1.00 0.00 C ATOM 504 CG ASP A 35 -2.742 14.740 2.823 1.00 0.00 C ATOM 505 OD1 ASP A 35 -2.716 15.032 4.037 1.00 0.00 O ATOM 506 OD2 ASP A 35 -2.391 15.530 1.921 1.00 0.00 O ATOM 0 H ASP A 35 -1.136 11.635 1.835 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.513 12.555 4.288 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.020 13.198 1.365 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.307 13.306 2.549 1.00 0.00 H new ATOM 511 N GLY A 36 -2.752 9.830 3.332 1.00 0.00 N ATOM 512 CA GLY A 36 -3.462 8.566 3.277 1.00 0.00 C ATOM 513 C GLY A 36 -4.012 8.260 1.901 1.00 0.00 C ATOM 514 O GLY A 36 -4.961 7.489 1.764 1.00 0.00 O ATOM 0 H GLY A 36 -1.750 9.753 3.507 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.790 7.764 3.581 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.282 8.584 3.995 1.00 0.00 H new ATOM 518 N ALA A 37 -3.412 8.855 0.875 1.00 0.00 N ATOM 519 CA ALA A 37 -3.848 8.626 -0.495 1.00 0.00 C ATOM 520 C ALA A 37 -3.846 7.136 -0.812 1.00 0.00 C ATOM 521 O ALA A 37 -4.706 6.643 -1.541 1.00 0.00 O ATOM 522 CB ALA A 37 -2.955 9.376 -1.466 1.00 0.00 C ATOM 0 H ALA A 37 -2.625 9.497 0.967 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.866 9.000 -0.602 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.294 9.195 -2.486 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.001 10.444 -1.253 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.927 9.029 -1.358 1.00 0.00 H new ATOM 528 N ASP A 38 -2.878 6.423 -0.243 1.00 0.00 N ATOM 529 CA ASP A 38 -2.769 4.985 -0.447 1.00 0.00 C ATOM 530 C ASP A 38 -4.034 4.293 0.045 1.00 0.00 C ATOM 531 O ASP A 38 -4.555 3.387 -0.604 1.00 0.00 O ATOM 532 CB ASP A 38 -1.546 4.435 0.289 1.00 0.00 C ATOM 533 CG ASP A 38 -1.556 4.783 1.764 1.00 0.00 C ATOM 534 OD1 ASP A 38 -1.748 5.973 2.091 1.00 0.00 O ATOM 535 OD2 ASP A 38 -1.373 3.866 2.591 1.00 0.00 O ATOM 0 H ASP A 38 -2.159 6.819 0.362 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.650 4.789 -1.513 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.513 3.352 0.174 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.640 4.832 -0.169 1.00 0.00 H new ATOM 540 N GLU A 39 -4.534 4.746 1.190 1.00 0.00 N ATOM 541 CA GLU A 39 -5.753 4.190 1.764 1.00 0.00 C ATOM 542 C GLU A 39 -6.978 4.775 1.070 1.00 0.00 C ATOM 543 O GLU A 39 -8.075 4.223 1.154 1.00 0.00 O ATOM 544 CB GLU A 39 -5.823 4.472 3.268 1.00 0.00 C ATOM 545 CG GLU A 39 -4.474 4.432 3.965 1.00 0.00 C ATOM 546 CD GLU A 39 -4.559 3.850 5.363 1.00 0.00 C ATOM 547 OE1 GLU A 39 -4.608 2.609 5.488 1.00 0.00 O ATOM 548 OE2 GLU A 39 -4.578 4.637 6.333 1.00 0.00 O ATOM 0 H GLU A 39 -4.114 5.496 1.738 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.738 3.111 1.613 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.272 5.453 3.423 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.484 3.741 3.734 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.779 3.840 3.370 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.067 5.442 4.019 1.00 0.00 H new ATOM 555 N SER A 40 -6.781 5.896 0.380 1.00 0.00 N ATOM 556 CA SER A 40 -7.866 6.553 -0.330 1.00 0.00 C ATOM 557 C SER A 40 -8.165 5.841 -1.640 1.00 0.00 C ATOM 558 O SER A 40 -7.278 5.250 -2.257 1.00 0.00 O ATOM 559 CB SER A 40 -7.523 8.018 -0.600 1.00 0.00 C ATOM 560 OG SER A 40 -6.775 8.574 0.468 1.00 0.00 O ATOM 0 H SER A 40 -5.879 6.365 0.300 1.00 0.00 H new ATOM 0 HA SER A 40 -8.754 6.509 0.301 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.953 8.096 -1.526 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.441 8.589 -0.741 1.00 0.00 H new ATOM 0 HG SER A 40 -6.583 7.878 1.130 1.00 0.00 H new ATOM 566 N ILE A 41 -9.422 5.901 -2.058 1.00 0.00 N ATOM 567 CA ILE A 41 -9.851 5.265 -3.293 1.00 0.00 C ATOM 568 C ILE A 41 -8.972 5.685 -4.469 1.00 0.00 C ATOM 569 O ILE A 41 -8.834 4.950 -5.447 1.00 0.00 O ATOM 570 CB ILE A 41 -11.321 5.600 -3.601 1.00 0.00 C ATOM 571 CG1 ILE A 41 -11.879 4.627 -4.635 1.00 0.00 C ATOM 572 CG2 ILE A 41 -11.461 7.037 -4.080 1.00 0.00 C ATOM 573 CD1 ILE A 41 -12.545 3.416 -4.022 1.00 0.00 C ATOM 0 H ILE A 41 -10.165 6.387 -1.556 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.753 4.188 -3.153 1.00 0.00 H new ATOM 0 HB ILE A 41 -11.898 5.497 -2.682 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -12.600 5.150 -5.263 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -11.070 4.297 -5.286 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -12.509 7.250 -4.291 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -11.102 7.715 -3.306 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -10.872 7.177 -4.987 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -12.919 2.767 -4.814 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.821 2.870 -3.417 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -13.376 3.737 -3.393 1.00 0.00 H new ATOM 585 N ALA A 42 -8.372 6.867 -4.361 1.00 0.00 N ATOM 586 CA ALA A 42 -7.499 7.381 -5.409 1.00 0.00 C ATOM 587 C ALA A 42 -6.434 6.354 -5.782 1.00 0.00 C ATOM 588 O ALA A 42 -5.930 6.343 -6.905 1.00 0.00 O ATOM 589 CB ALA A 42 -6.845 8.677 -4.957 1.00 0.00 C ATOM 0 H ALA A 42 -8.475 7.486 -3.557 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.105 7.579 -6.293 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.195 9.052 -5.748 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.615 9.417 -4.739 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.255 8.493 -4.059 1.00 0.00 H new ATOM 595 N ALA A 43 -6.100 5.493 -4.827 1.00 0.00 N ATOM 596 CA ALA A 43 -5.100 4.456 -5.041 1.00 0.00 C ATOM 597 C ALA A 43 -5.746 3.153 -5.498 1.00 0.00 C ATOM 598 O ALA A 43 -5.088 2.294 -6.085 1.00 0.00 O ATOM 599 CB ALA A 43 -4.309 4.228 -3.763 1.00 0.00 C ATOM 0 H ALA A 43 -6.510 5.494 -3.893 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.425 4.791 -5.828 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.563 3.451 -3.931 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.811 5.153 -3.474 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.985 3.916 -2.967 1.00 0.00 H new ATOM 605 N GLY A 44 -7.036 3.008 -5.216 1.00 0.00 N ATOM 606 CA GLY A 44 -7.747 1.804 -5.594 1.00 0.00 C ATOM 607 C GLY A 44 -8.042 0.928 -4.396 1.00 0.00 C ATOM 608 O GLY A 44 -8.047 -0.299 -4.496 1.00 0.00 O ATOM 0 H GLY A 44 -7.602 3.705 -4.731 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.681 2.073 -6.087 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.155 1.244 -6.317 1.00 0.00 H new ATOM 612 N CYS A 45 -8.283 1.567 -3.257 1.00 0.00 N ATOM 613 CA CYS A 45 -8.577 0.851 -2.021 1.00 0.00 C ATOM 614 C CYS A 45 -10.019 0.345 -2.002 1.00 0.00 C ATOM 615 O CYS A 45 -10.430 -0.338 -1.065 1.00 0.00 O ATOM 616 CB CYS A 45 -8.324 1.764 -0.818 1.00 0.00 C ATOM 617 SG CYS A 45 -8.122 0.892 0.770 1.00 0.00 S ATOM 0 H CYS A 45 -8.281 2.583 -3.164 1.00 0.00 H new ATOM 0 HA CYS A 45 -7.917 -0.015 -1.964 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.428 2.355 -1.009 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -9.155 2.464 -0.729 1.00 0.00 H new ATOM 622 N LEU A 46 -10.783 0.679 -3.041 1.00 0.00 N ATOM 623 CA LEU A 46 -12.176 0.254 -3.140 1.00 0.00 C ATOM 624 C LEU A 46 -13.045 0.938 -2.086 1.00 0.00 C ATOM 625 O LEU A 46 -14.189 0.540 -1.866 1.00 0.00 O ATOM 626 CB LEU A 46 -12.290 -1.268 -2.994 1.00 0.00 C ATOM 627 CG LEU A 46 -11.320 -2.096 -3.848 1.00 0.00 C ATOM 628 CD1 LEU A 46 -10.958 -1.365 -5.134 1.00 0.00 C ATOM 629 CD2 LEU A 46 -10.068 -2.435 -3.053 1.00 0.00 C ATOM 0 H LEU A 46 -10.459 1.243 -3.826 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.536 0.547 -4.126 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.133 -1.526 -1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -13.309 -1.563 -3.246 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.820 -3.025 -4.122 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.270 -1.976 -5.718 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.862 -1.181 -5.715 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.483 -0.415 -4.891 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.391 -3.022 -3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.572 -1.514 -2.745 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.343 -3.012 -2.170 1.00 0.00 H new ATOM 641 N TYR A 47 -12.503 1.966 -1.437 1.00 0.00 N ATOM 642 CA TYR A 47 -13.245 2.691 -0.410 1.00 0.00 C ATOM 643 C TYR A 47 -12.431 3.857 0.142 1.00 0.00 C ATOM 644 O TYR A 47 -11.314 4.119 -0.305 1.00 0.00 O ATOM 645 CB TYR A 47 -13.631 1.746 0.730 1.00 0.00 C ATOM 646 CG TYR A 47 -12.447 1.259 1.532 1.00 0.00 C ATOM 647 CD1 TYR A 47 -11.954 2.000 2.596 1.00 0.00 C ATOM 648 CD2 TYR A 47 -11.819 0.061 1.219 1.00 0.00 C ATOM 649 CE1 TYR A 47 -10.868 1.562 3.328 1.00 0.00 C ATOM 650 CE2 TYR A 47 -10.733 -0.385 1.945 1.00 0.00 C ATOM 651 CZ TYR A 47 -10.261 0.369 2.999 1.00 0.00 C ATOM 652 OH TYR A 47 -9.179 -0.072 3.726 1.00 0.00 O ATOM 0 H TYR A 47 -11.559 2.314 -1.603 1.00 0.00 H new ATOM 0 HA TYR A 47 -14.148 3.091 -0.871 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -14.326 2.257 1.396 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -14.159 0.887 0.317 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -12.427 2.935 2.856 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -12.186 -0.532 0.394 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -10.496 2.151 4.154 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.256 -1.319 1.689 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.214 -1.048 3.805 1.00 0.00 H new ATOM 662 N ASN A 48 -13.004 4.547 1.124 1.00 0.00 N ATOM 663 CA ASN A 48 -12.351 5.687 1.759 1.00 0.00 C ATOM 664 C ASN A 48 -13.261 6.284 2.832 1.00 0.00 C ATOM 665 O ASN A 48 -14.239 5.658 3.239 1.00 0.00 O ATOM 666 CB ASN A 48 -11.989 6.746 0.713 1.00 0.00 C ATOM 667 CG ASN A 48 -10.757 7.544 1.094 1.00 0.00 C ATOM 668 OD1 ASN A 48 -10.011 7.162 1.995 1.00 0.00 O ATOM 669 ND2 ASN A 48 -10.541 8.660 0.408 1.00 0.00 N ATOM 0 H ASN A 48 -13.928 4.334 1.500 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.431 5.344 2.233 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -11.820 6.260 -0.248 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.831 7.425 0.582 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.729 9.240 0.620 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -11.187 8.937 -0.331 1.00 0.00 H new ATOM 744 N SER A 56 -15.039 -3.578 1.506 1.00 0.00 N ATOM 745 CA SER A 56 -15.161 -3.707 0.057 1.00 0.00 C ATOM 746 C SER A 56 -15.436 -5.155 -0.341 1.00 0.00 C ATOM 747 O SER A 56 -16.408 -5.442 -1.039 1.00 0.00 O ATOM 748 CB SER A 56 -13.888 -3.203 -0.629 1.00 0.00 C ATOM 749 OG SER A 56 -13.750 -3.755 -1.927 1.00 0.00 O ATOM 0 HA SER A 56 -16.004 -3.098 -0.269 1.00 0.00 H new ATOM 0 HB2 SER A 56 -13.914 -2.115 -0.695 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.019 -3.465 -0.026 1.00 0.00 H new ATOM 0 HG SER A 56 -12.799 -3.833 -2.150 1.00 0.00 H new ATOM 755 N GLY A 57 -14.579 -6.065 0.113 1.00 0.00 N ATOM 756 CA GLY A 57 -14.757 -7.470 -0.204 1.00 0.00 C ATOM 757 C GLY A 57 -13.466 -8.150 -0.616 1.00 0.00 C ATOM 758 O GLY A 57 -12.378 -7.709 -0.248 1.00 0.00 O ATOM 0 H GLY A 57 -13.767 -5.855 0.693 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.171 -7.983 0.664 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -15.485 -7.566 -1.009 1.00 0.00 H new ATOM 762 N SER A 129 -13.591 -9.231 -1.382 1.00 0.00 N ATOM 763 CA SER A 129 -12.430 -9.983 -1.848 1.00 0.00 C ATOM 764 C SER A 129 -11.418 -9.063 -2.521 1.00 0.00 C ATOM 765 O SER A 129 -10.209 -9.230 -2.359 1.00 0.00 O ATOM 766 CB SER A 129 -12.864 -11.081 -2.819 1.00 0.00 C ATOM 767 OG SER A 129 -13.992 -11.783 -2.326 1.00 0.00 O ATOM 0 H SER A 129 -14.487 -9.606 -1.693 1.00 0.00 H new ATOM 0 HA SER A 129 -11.954 -10.441 -0.981 1.00 0.00 H new ATOM 0 HB2 SER A 129 -13.101 -10.641 -3.788 1.00 0.00 H new ATOM 0 HB3 SER A 129 -12.040 -11.777 -2.978 1.00 0.00 H new ATOM 0 HG SER A 129 -14.250 -12.478 -2.967 1.00 0.00 H new ATOM 773 N THR A 130 -11.918 -8.090 -3.275 1.00 0.00 N ATOM 774 CA THR A 130 -11.052 -7.144 -3.968 1.00 0.00 C ATOM 775 C THR A 130 -10.115 -6.450 -2.987 1.00 0.00 C ATOM 776 O THR A 130 -8.956 -6.181 -3.303 1.00 0.00 O ATOM 777 CB THR A 130 -11.885 -6.105 -4.718 1.00 0.00 C ATOM 778 OG1 THR A 130 -13.096 -6.673 -5.184 1.00 0.00 O ATOM 779 CG2 THR A 130 -11.163 -5.517 -5.909 1.00 0.00 C ATOM 0 H THR A 130 -12.916 -7.936 -3.421 1.00 0.00 H new ATOM 0 HA THR A 130 -10.452 -7.701 -4.688 1.00 0.00 H new ATOM 0 HB THR A 130 -12.078 -5.310 -3.998 1.00 0.00 H new ATOM 0 HG1 THR A 130 -13.615 -5.991 -5.660 1.00 0.00 H new ATOM 0 HG21 THR A 130 -11.806 -4.786 -6.400 1.00 0.00 H new ATOM 0 HG22 THR A 130 -10.248 -5.029 -5.575 1.00 0.00 H new ATOM 0 HG23 THR A 130 -10.914 -6.312 -6.612 1.00 0.00 H new ATOM 787 N GLU A 131 -10.623 -6.169 -1.791 1.00 0.00 N ATOM 788 CA GLU A 131 -9.828 -5.514 -0.760 1.00 0.00 C ATOM 789 C GLU A 131 -8.609 -6.359 -0.411 1.00 0.00 C ATOM 790 O GLU A 131 -7.509 -5.840 -0.234 1.00 0.00 O ATOM 791 CB GLU A 131 -10.672 -5.275 0.495 1.00 0.00 C ATOM 792 CG GLU A 131 -9.888 -4.681 1.653 1.00 0.00 C ATOM 793 CD GLU A 131 -10.677 -3.638 2.418 1.00 0.00 C ATOM 794 OE1 GLU A 131 -11.903 -3.543 2.202 1.00 0.00 O ATOM 795 OE2 GLU A 131 -10.068 -2.916 3.237 1.00 0.00 O ATOM 0 H GLU A 131 -11.580 -6.385 -1.513 1.00 0.00 H new ATOM 0 HA GLU A 131 -9.491 -4.552 -1.147 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -11.497 -4.608 0.246 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -11.112 -6.221 0.812 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -9.593 -5.479 2.334 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -8.971 -4.231 1.273 1.00 0.00 H new ATOM 802 N GLU A 132 -8.816 -7.667 -0.317 1.00 0.00 N ATOM 803 CA GLU A 132 -7.736 -8.589 0.008 1.00 0.00 C ATOM 804 C GLU A 132 -6.908 -8.904 -1.232 1.00 0.00 C ATOM 805 O GLU A 132 -5.689 -9.018 -1.162 1.00 0.00 O ATOM 806 CB GLU A 132 -8.296 -9.885 0.602 1.00 0.00 C ATOM 807 CG GLU A 132 -9.536 -9.683 1.459 1.00 0.00 C ATOM 808 CD GLU A 132 -9.847 -10.886 2.327 1.00 0.00 C ATOM 809 OE1 GLU A 132 -9.889 -12.012 1.789 1.00 0.00 O ATOM 810 OE2 GLU A 132 -10.048 -10.702 3.546 1.00 0.00 O ATOM 0 H GLU A 132 -9.722 -8.113 -0.461 1.00 0.00 H new ATOM 0 HA GLU A 132 -7.094 -8.111 0.747 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -8.535 -10.572 -0.210 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -7.523 -10.361 1.205 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -9.396 -8.808 2.094 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -10.389 -9.475 0.814 1.00 0.00 H new ATOM 817 N LEU A 133 -7.581 -9.045 -2.366 1.00 0.00 N ATOM 818 CA LEU A 133 -6.911 -9.354 -3.627 1.00 0.00 C ATOM 819 C LEU A 133 -5.690 -8.460 -3.853 1.00 0.00 C ATOM 820 O LEU A 133 -4.713 -8.878 -4.474 1.00 0.00 O ATOM 821 CB LEU A 133 -7.894 -9.201 -4.790 1.00 0.00 C ATOM 822 CG LEU A 133 -8.459 -10.511 -5.349 1.00 0.00 C ATOM 823 CD1 LEU A 133 -8.795 -11.481 -4.223 1.00 0.00 C ATOM 824 CD2 LEU A 133 -9.689 -10.235 -6.205 1.00 0.00 C ATOM 0 H LEU A 133 -8.594 -8.950 -2.441 1.00 0.00 H new ATOM 0 HA LEU A 133 -6.562 -10.385 -3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -8.725 -8.577 -4.461 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -7.394 -8.666 -5.598 1.00 0.00 H new ATOM 0 HG LEU A 133 -7.697 -10.973 -5.976 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -9.194 -12.403 -4.644 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -7.893 -11.703 -3.653 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -9.538 -11.031 -3.565 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -10.079 -11.175 -6.595 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -10.453 -9.749 -5.598 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -9.416 -9.583 -7.035 1.00 0.00 H new ATOM 836 N ARG A 134 -5.755 -7.230 -3.354 1.00 0.00 N ATOM 837 CA ARG A 134 -4.655 -6.284 -3.514 1.00 0.00 C ATOM 838 C ARG A 134 -3.722 -6.295 -2.304 1.00 0.00 C ATOM 839 O ARG A 134 -2.500 -6.298 -2.452 1.00 0.00 O ATOM 840 CB ARG A 134 -5.203 -4.872 -3.735 1.00 0.00 C ATOM 841 CG ARG A 134 -5.970 -4.322 -2.543 1.00 0.00 C ATOM 842 CD ARG A 134 -6.913 -3.198 -2.950 1.00 0.00 C ATOM 843 NE ARG A 134 -6.296 -2.277 -3.905 1.00 0.00 N ATOM 844 CZ ARG A 134 -6.418 -2.380 -5.228 1.00 0.00 C ATOM 845 NH1 ARG A 134 -7.126 -3.365 -5.768 1.00 0.00 N ATOM 846 NH2 ARG A 134 -5.826 -1.493 -6.016 1.00 0.00 N ATOM 0 H ARG A 134 -6.555 -6.865 -2.837 1.00 0.00 H new ATOM 0 HA ARG A 134 -4.078 -6.592 -4.386 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -4.374 -4.202 -3.964 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -5.858 -4.878 -4.606 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -6.541 -5.125 -2.076 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -5.267 -3.954 -1.796 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -7.815 -3.624 -3.390 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -7.221 -2.646 -2.062 1.00 0.00 H new ATOM 0 HE ARG A 134 -5.737 -1.508 -3.535 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -7.583 -4.052 -5.169 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -7.213 -3.434 -6.782 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -5.279 -0.734 -5.609 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -5.918 -1.569 -7.029 1.00 0.00 H new ATOM 860 N VAL A 135 -4.304 -6.290 -1.110 1.00 0.00 N ATOM 861 CA VAL A 135 -3.526 -6.287 0.125 1.00 0.00 C ATOM 862 C VAL A 135 -2.964 -7.676 0.447 1.00 0.00 C ATOM 863 O VAL A 135 -2.130 -7.826 1.340 1.00 0.00 O ATOM 864 CB VAL A 135 -4.384 -5.790 1.309 1.00 0.00 C ATOM 865 CG1 VAL A 135 -3.558 -5.681 2.582 1.00 0.00 C ATOM 866 CG2 VAL A 135 -5.020 -4.449 0.971 1.00 0.00 C ATOM 0 H VAL A 135 -5.314 -6.288 -0.970 1.00 0.00 H new ATOM 0 HA VAL A 135 -2.688 -5.606 -0.027 1.00 0.00 H new ATOM 0 HB VAL A 135 -5.173 -6.521 1.485 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -4.190 -5.329 3.397 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -3.150 -6.659 2.836 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -2.741 -4.977 2.426 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -5.622 -4.109 1.814 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -4.239 -3.717 0.765 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -5.655 -4.559 0.092 1.00 0.00 H new ATOM 876 N ARG A 136 -3.426 -8.689 -0.280 1.00 0.00 N ATOM 877 CA ARG A 136 -2.974 -10.060 -0.065 1.00 0.00 C ATOM 878 C ARG A 136 -1.813 -10.416 -0.990 1.00 0.00 C ATOM 879 O ARG A 136 -0.683 -10.602 -0.539 1.00 0.00 O ATOM 880 CB ARG A 136 -4.138 -11.027 -0.289 1.00 0.00 C ATOM 881 CG ARG A 136 -3.772 -12.490 -0.118 1.00 0.00 C ATOM 882 CD ARG A 136 -4.580 -13.377 -1.055 1.00 0.00 C ATOM 883 NE ARG A 136 -3.783 -13.847 -2.186 1.00 0.00 N ATOM 884 CZ ARG A 136 -4.306 -14.320 -3.315 1.00 0.00 C ATOM 885 NH1 ARG A 136 -5.623 -14.391 -3.466 1.00 0.00 N ATOM 886 NH2 ARG A 136 -3.510 -14.724 -4.295 1.00 0.00 N ATOM 0 H ARG A 136 -4.115 -8.586 -1.025 1.00 0.00 H new ATOM 0 HA ARG A 136 -2.620 -10.145 0.962 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -4.940 -10.781 0.407 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -4.532 -10.877 -1.294 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -2.708 -12.626 -0.313 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -3.948 -12.793 0.914 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -4.965 -14.234 -0.502 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -5.443 -12.823 -1.425 1.00 0.00 H new ATOM 0 HE ARG A 136 -2.767 -13.811 -2.106 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -6.240 -14.082 -2.715 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -6.018 -14.754 -4.333 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -2.497 -14.672 -4.184 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -3.910 -15.087 -5.160 1.00 0.00 H new ATOM 900 N LEU A 137 -2.099 -10.517 -2.284 1.00 0.00 N ATOM 901 CA LEU A 137 -1.075 -10.858 -3.268 1.00 0.00 C ATOM 902 C LEU A 137 0.104 -9.892 -3.189 1.00 0.00 C ATOM 903 O LEU A 137 1.260 -10.301 -3.284 1.00 0.00 O ATOM 904 CB LEU A 137 -1.672 -10.850 -4.682 1.00 0.00 C ATOM 905 CG LEU A 137 -0.659 -10.815 -5.836 1.00 0.00 C ATOM 906 CD1 LEU A 137 -0.209 -9.387 -6.106 1.00 0.00 C ATOM 907 CD2 LEU A 137 0.542 -11.706 -5.536 1.00 0.00 C ATOM 0 H LEU A 137 -3.029 -10.368 -2.676 1.00 0.00 H new ATOM 0 HA LEU A 137 -0.710 -11.860 -3.043 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -2.295 -11.737 -4.798 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -2.329 -9.985 -4.774 1.00 0.00 H new ATOM 0 HG LEU A 137 -1.150 -11.200 -6.730 1.00 0.00 H new ATOM 0 HD11 LEU A 137 0.509 -9.381 -6.927 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -1.072 -8.778 -6.374 1.00 0.00 H new ATOM 0 HD13 LEU A 137 0.260 -8.978 -5.211 1.00 0.00 H new ATOM 0 HD21 LEU A 137 1.244 -11.663 -6.369 1.00 0.00 H new ATOM 0 HD22 LEU A 137 1.035 -11.359 -4.628 1.00 0.00 H new ATOM 0 HD23 LEU A 137 0.207 -12.734 -5.397 1.00 0.00 H new ATOM 919 N ALA A 138 -0.198 -8.610 -3.019 1.00 0.00 N ATOM 920 CA ALA A 138 0.838 -7.588 -2.935 1.00 0.00 C ATOM 921 C ALA A 138 1.682 -7.730 -1.668 1.00 0.00 C ATOM 922 O ALA A 138 2.698 -7.054 -1.516 1.00 0.00 O ATOM 923 CB ALA A 138 0.214 -6.205 -3.005 1.00 0.00 C ATOM 0 H ALA A 138 -1.150 -8.254 -2.937 1.00 0.00 H new ATOM 0 HA ALA A 138 1.506 -7.725 -3.785 1.00 0.00 H new ATOM 0 HB1 ALA A 138 0.997 -5.449 -2.941 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -0.321 -6.095 -3.948 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -0.482 -6.077 -2.176 1.00 0.00 H new ATOM 929 N SER A 139 1.266 -8.611 -0.762 1.00 0.00 N ATOM 930 CA SER A 139 2.002 -8.828 0.480 1.00 0.00 C ATOM 931 C SER A 139 3.154 -9.813 0.273 1.00 0.00 C ATOM 932 O SER A 139 3.925 -10.083 1.195 1.00 0.00 O ATOM 933 CB SER A 139 1.048 -9.330 1.570 1.00 0.00 C ATOM 934 OG SER A 139 1.438 -10.602 2.063 1.00 0.00 O ATOM 0 H SER A 139 0.428 -9.183 -0.864 1.00 0.00 H new ATOM 0 HA SER A 139 2.433 -7.878 0.797 1.00 0.00 H new ATOM 0 HB2 SER A 139 1.024 -8.613 2.391 1.00 0.00 H new ATOM 0 HB3 SER A 139 0.036 -9.390 1.169 1.00 0.00 H new ATOM 0 HG SER A 139 0.809 -10.891 2.757 1.00 0.00 H new ATOM 940 N HIS A 140 3.258 -10.355 -0.937 1.00 0.00 N ATOM 941 CA HIS A 140 4.302 -11.318 -1.265 1.00 0.00 C ATOM 942 C HIS A 140 5.708 -10.745 -1.069 1.00 0.00 C ATOM 943 O HIS A 140 6.632 -11.478 -0.714 1.00 0.00 O ATOM 944 CB HIS A 140 4.137 -11.815 -2.707 1.00 0.00 C ATOM 945 CG HIS A 140 4.067 -10.725 -3.739 1.00 0.00 C ATOM 946 ND1 HIS A 140 4.270 -10.934 -5.086 1.00 0.00 N ATOM 947 CD2 HIS A 140 3.801 -9.399 -3.606 1.00 0.00 C ATOM 948 CE1 HIS A 140 4.123 -9.758 -5.712 1.00 0.00 C ATOM 949 NE2 HIS A 140 3.838 -8.796 -4.859 1.00 0.00 N ATOM 0 H HIS A 140 2.628 -10.141 -1.710 1.00 0.00 H new ATOM 0 HA HIS A 140 4.191 -12.154 -0.575 1.00 0.00 H new ATOM 0 HB2 HIS A 140 4.972 -12.473 -2.948 1.00 0.00 H new ATOM 0 HB3 HIS A 140 3.229 -12.415 -2.769 1.00 0.00 H new ATOM 0 HD2 HIS A 140 3.594 -8.893 -2.675 1.00 0.00 H new ATOM 0 HE1 HIS A 140 4.225 -9.618 -6.778 1.00 0.00 H new ATOM 0 HE2 HIS A 140 3.677 -7.812 -5.073 1.00 0.00 H new ATOM 957 N LEU A 141 5.880 -9.448 -1.312 1.00 0.00 N ATOM 958 CA LEU A 141 7.194 -8.823 -1.166 1.00 0.00 C ATOM 959 C LEU A 141 7.107 -7.437 -0.528 1.00 0.00 C ATOM 960 O LEU A 141 7.859 -7.122 0.393 1.00 0.00 O ATOM 961 CB LEU A 141 7.876 -8.715 -2.530 1.00 0.00 C ATOM 962 CG LEU A 141 9.221 -7.982 -2.525 1.00 0.00 C ATOM 963 CD1 LEU A 141 10.364 -8.962 -2.736 1.00 0.00 C ATOM 964 CD2 LEU A 141 9.243 -6.892 -3.588 1.00 0.00 C ATOM 0 H LEU A 141 5.137 -8.815 -1.607 1.00 0.00 H new ATOM 0 HA LEU A 141 7.782 -9.458 -0.503 1.00 0.00 H new ATOM 0 HB2 LEU A 141 8.028 -9.720 -2.924 1.00 0.00 H new ATOM 0 HB3 LEU A 141 7.202 -8.202 -3.217 1.00 0.00 H new ATOM 0 HG LEU A 141 9.351 -7.510 -1.551 1.00 0.00 H new ATOM 0 HD11 LEU A 141 11.311 -8.423 -2.729 1.00 0.00 H new ATOM 0 HD12 LEU A 141 10.362 -9.702 -1.935 1.00 0.00 H new ATOM 0 HD13 LEU A 141 10.240 -9.465 -3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 141 10.207 -6.383 -3.568 1.00 0.00 H new ATOM 0 HD22 LEU A 141 9.089 -7.339 -4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 141 8.449 -6.173 -3.388 1.00 0.00 H new ATOM 976 N ARG A 142 6.206 -6.607 -1.045 1.00 0.00 N ATOM 977 CA ARG A 142 6.035 -5.238 -0.552 1.00 0.00 C ATOM 978 C ARG A 142 6.145 -5.147 0.973 1.00 0.00 C ATOM 979 O ARG A 142 6.889 -4.320 1.499 1.00 0.00 O ATOM 980 CB ARG A 142 4.688 -4.670 -1.011 1.00 0.00 C ATOM 981 CG ARG A 142 4.388 -4.899 -2.487 1.00 0.00 C ATOM 982 CD ARG A 142 5.547 -4.476 -3.378 1.00 0.00 C ATOM 983 NE ARG A 142 6.118 -5.611 -4.105 1.00 0.00 N ATOM 984 CZ ARG A 142 6.368 -5.615 -5.414 1.00 0.00 C ATOM 985 NH1 ARG A 142 6.110 -4.546 -6.158 1.00 0.00 N ATOM 986 NH2 ARG A 142 6.883 -6.697 -5.982 1.00 0.00 N ATOM 0 H ARG A 142 5.579 -6.857 -1.809 1.00 0.00 H new ATOM 0 HA ARG A 142 6.846 -4.645 -0.975 1.00 0.00 H new ATOM 0 HB2 ARG A 142 3.894 -5.120 -0.416 1.00 0.00 H new ATOM 0 HB3 ARG A 142 4.669 -3.599 -0.809 1.00 0.00 H new ATOM 0 HG2 ARG A 142 4.170 -5.954 -2.653 1.00 0.00 H new ATOM 0 HG3 ARG A 142 3.494 -4.341 -2.766 1.00 0.00 H new ATOM 0 HD2 ARG A 142 5.203 -3.725 -4.089 1.00 0.00 H new ATOM 0 HD3 ARG A 142 6.321 -4.008 -2.770 1.00 0.00 H new ATOM 0 HE ARG A 142 6.339 -6.454 -3.575 1.00 0.00 H new ATOM 0 HH11 ARG A 142 5.716 -3.709 -5.729 1.00 0.00 H new ATOM 0 HH12 ARG A 142 6.306 -4.562 -7.159 1.00 0.00 H new ATOM 0 HH21 ARG A 142 7.086 -7.522 -5.417 1.00 0.00 H new ATOM 0 HH22 ARG A 142 7.076 -6.704 -6.984 1.00 0.00 H new ATOM 1000 N LYS A 143 5.397 -5.986 1.682 1.00 0.00 N ATOM 1001 CA LYS A 143 5.419 -5.969 3.143 1.00 0.00 C ATOM 1002 C LYS A 143 6.344 -7.040 3.717 1.00 0.00 C ATOM 1003 O LYS A 143 6.459 -7.176 4.935 1.00 0.00 O ATOM 1004 CB LYS A 143 4.008 -6.159 3.697 1.00 0.00 C ATOM 1005 CG LYS A 143 3.200 -4.875 3.740 1.00 0.00 C ATOM 1006 CD LYS A 143 3.854 -3.834 4.635 1.00 0.00 C ATOM 1007 CE LYS A 143 2.816 -2.987 5.353 1.00 0.00 C ATOM 1008 NZ LYS A 143 3.241 -2.645 6.739 1.00 0.00 N ATOM 0 H LYS A 143 4.772 -6.682 1.274 1.00 0.00 H new ATOM 0 HA LYS A 143 5.806 -4.996 3.447 1.00 0.00 H new ATOM 0 HB2 LYS A 143 3.481 -6.891 3.085 1.00 0.00 H new ATOM 0 HB3 LYS A 143 4.073 -6.572 4.703 1.00 0.00 H new ATOM 0 HG2 LYS A 143 3.096 -4.475 2.731 1.00 0.00 H new ATOM 0 HG3 LYS A 143 2.195 -5.089 4.103 1.00 0.00 H new ATOM 0 HD2 LYS A 143 4.490 -4.330 5.368 1.00 0.00 H new ATOM 0 HD3 LYS A 143 4.499 -3.191 4.036 1.00 0.00 H new ATOM 0 HE2 LYS A 143 2.643 -2.070 4.790 1.00 0.00 H new ATOM 0 HE3 LYS A 143 1.868 -3.525 5.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 2.506 -2.067 7.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 3.382 -3.519 7.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 4.132 -2.110 6.707 1.00 0.00 H new ATOM 1022 N LEU A 144 6.993 -7.806 2.848 1.00 0.00 N ATOM 1023 CA LEU A 144 7.889 -8.862 3.299 1.00 0.00 C ATOM 1024 C LEU A 144 9.355 -8.457 3.162 1.00 0.00 C ATOM 1025 O LEU A 144 10.147 -8.648 4.086 1.00 0.00 O ATOM 1026 CB LEU A 144 7.624 -10.150 2.516 1.00 0.00 C ATOM 1027 CG LEU A 144 6.916 -11.247 3.310 1.00 0.00 C ATOM 1028 CD1 LEU A 144 5.421 -10.980 3.372 1.00 0.00 C ATOM 1029 CD2 LEU A 144 7.193 -12.611 2.696 1.00 0.00 C ATOM 0 H LEU A 144 6.916 -7.716 1.835 1.00 0.00 H new ATOM 0 HA LEU A 144 7.690 -9.035 4.357 1.00 0.00 H new ATOM 0 HB2 LEU A 144 7.022 -9.909 1.640 1.00 0.00 H new ATOM 0 HB3 LEU A 144 8.575 -10.540 2.152 1.00 0.00 H new ATOM 0 HG LEU A 144 7.306 -11.243 4.328 1.00 0.00 H new ATOM 0 HD11 LEU A 144 4.933 -11.771 3.941 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.243 -10.021 3.858 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.013 -10.956 2.361 1.00 0.00 H new ATOM 0 HD21 LEU A 144 6.681 -13.381 3.274 1.00 0.00 H new ATOM 0 HD22 LEU A 144 6.831 -12.628 1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 144 8.266 -12.803 2.706 1.00 0.00 H new