USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 566 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 54:sc= -0.761 USER MOD Set 1.2: A 48 ASN : amide:sc= -3.53 K(o=-4.3,f=0.0086) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.441 USER MOD Single : A 2ALYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 142:sc= -0.445 (180deg=-0.621) USER MOD Single : A 6 THR OG1 : rot 160:sc= -1.12 USER MOD Single : A 10 SER OG : rot 180:sc= -0.159 USER MOD Single : A 11 SER OG : rot 161:sc= 0.771 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -160:sc= -3.31! USER MOD Single : A 18 HIS : no HD1:sc= -0.672 K(o=-0.67,f=0.027) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot -36:sc= 0.397 USER MOD Single : A 49 SER OG : rot 66:sc= 0.0595 USER MOD Single : A 50 THR OG1 : rot -20:sc= 0.904 USER MOD Single : A 52 SER OG : rot 14:sc= 0.684 USER MOD Single : A 54 SER OG : rot 45:sc= 0.755 USER MOD Single : A 56 SER OG : rot -16:sc= -0.308 USER MOD Single : A 129 SER OG : rot 180:sc= 0.0805 USER MOD Single : A 130 THR OG1 : rot 90:sc= 1.27 USER MOD Single : A 139 SER OG : rot 1:sc= 1.05 USER MOD Single : A 140 HIS : no HE2:sc= -9.45! C(o=-9.5!,f=-12!) USER MOD Single : A 143 LYS NZ :NH3+ 165:sc= -0.0437 (180deg=-0.244) USER MOD Single : A 146 LYS NZ :NH3+ 168:sc= 0.461 (180deg=0.298) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.381 10.381 6.552 1.00 0.00 N ATOM 2 CA GLY A 1 3.349 9.264 6.373 1.00 0.00 C ATOM 3 C GLY A 1 3.350 8.304 7.547 1.00 0.00 C ATOM 4 O GLY A 1 3.376 8.725 8.703 1.00 0.00 O ATOM 0 H1 GLY A 1 2.418 11.009 5.724 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.420 9.995 6.651 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.627 10.920 7.406 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.105 8.718 5.462 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.351 9.673 6.241 1.00 0.00 H new ATOM 10 N SER A 2 3.322 7.009 7.249 1.00 0.00 N ATOM 11 CA SER A 2 3.319 5.985 8.287 1.00 0.00 C ATOM 12 C SER A 2 4.668 5.279 8.360 1.00 0.00 C ATOM 13 O SER A 2 5.384 5.387 9.355 1.00 0.00 O ATOM 14 CB SER A 2 2.215 4.960 8.021 1.00 0.00 C ATOM 15 OG SER A 2 1.014 5.596 7.619 1.00 0.00 O ATOM 0 H SER A 2 3.301 6.644 6.297 1.00 0.00 H new ATOM 0 HA SER A 2 3.131 6.476 9.242 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.539 4.265 7.246 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.035 4.373 8.921 1.00 0.00 H new ATOM 0 HG SER A 2 0.325 4.919 7.454 1.00 0.00 H new ATOM 21 N LYS A 2A 5.005 4.554 7.300 1.00 0.00 N ATOM 22 CA LYS A 2A 6.265 3.825 7.242 1.00 0.00 C ATOM 23 C LYS A 2A 6.844 3.852 5.831 1.00 0.00 C ATOM 24 O LYS A 2A 7.316 2.835 5.322 1.00 0.00 O ATOM 25 CB LYS A 2A 6.057 2.379 7.694 1.00 0.00 C ATOM 26 CG LYS A 2A 5.264 2.254 8.984 1.00 0.00 C ATOM 27 CD LYS A 2A 3.782 2.058 8.708 1.00 0.00 C ATOM 28 CE LYS A 2A 3.456 0.600 8.428 1.00 0.00 C ATOM 29 NZ LYS A 2A 2.879 -0.079 9.621 1.00 0.00 N ATOM 0 H LYS A 2A 4.422 4.456 6.469 1.00 0.00 H new ATOM 0 HA LYS A 2A 6.972 4.312 7.913 1.00 0.00 H new ATOM 0 HB2 LYS A 2A 5.541 1.831 6.905 1.00 0.00 H new ATOM 0 HB3 LYS A 2A 7.030 1.905 7.828 1.00 0.00 H new ATOM 0 HG2 LYS A 2A 5.642 1.413 9.565 1.00 0.00 H new ATOM 0 HG3 LYS A 2A 5.408 3.149 9.589 1.00 0.00 H new ATOM 0 HD2 LYS A 2A 3.203 2.404 9.564 1.00 0.00 H new ATOM 0 HD3 LYS A 2A 3.486 2.669 7.855 1.00 0.00 H new ATOM 0 HE2 LYS A 2A 2.751 0.538 7.599 1.00 0.00 H new ATOM 0 HE3 LYS A 2A 4.361 0.079 8.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 2A 2.671 -1.071 9.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 2A 3.561 -0.043 10.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 2A 2.001 0.402 9.904 1.00 0.00 H new ATOM 43 N LEU A 2B 6.802 5.021 5.203 1.00 0.00 N ATOM 44 CA LEU A 2B 7.320 5.179 3.850 1.00 0.00 C ATOM 45 C LEU A 2B 8.828 5.415 3.869 1.00 0.00 C ATOM 46 O LEU A 2B 9.310 6.456 3.422 1.00 0.00 O ATOM 47 CB LEU A 2B 6.616 6.338 3.144 1.00 0.00 C ATOM 48 CG LEU A 2B 5.309 5.962 2.445 1.00 0.00 C ATOM 49 CD1 LEU A 2B 4.345 5.321 3.432 1.00 0.00 C ATOM 50 CD2 LEU A 2B 4.680 7.186 1.793 1.00 0.00 C ATOM 0 H LEU A 2B 6.415 5.873 5.609 1.00 0.00 H new ATOM 0 HA LEU A 2B 7.123 4.258 3.301 1.00 0.00 H new ATOM 0 HB2 LEU A 2B 6.409 7.119 3.876 1.00 0.00 H new ATOM 0 HB3 LEU A 2B 7.297 6.764 2.407 1.00 0.00 H new ATOM 0 HG LEU A 2B 5.531 5.236 1.662 1.00 0.00 H new ATOM 0 HD11 LEU A 2B 3.420 5.059 2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 2B 4.796 4.420 3.849 1.00 0.00 H new ATOM 0 HD13 LEU A 2B 4.128 6.023 4.237 1.00 0.00 H new ATOM 0 HD21 LEU A 2B 3.751 6.899 1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 2B 4.470 7.937 2.555 1.00 0.00 H new ATOM 0 HD23 LEU A 2B 5.368 7.600 1.056 1.00 0.00 H new ATOM 62 N GLU A 3 9.568 4.442 4.391 1.00 0.00 N ATOM 63 CA GLU A 3 11.021 4.546 4.469 1.00 0.00 C ATOM 64 C GLU A 3 11.691 3.423 3.682 1.00 0.00 C ATOM 65 O GLU A 3 12.248 2.491 4.263 1.00 0.00 O ATOM 66 CB GLU A 3 11.478 4.507 5.928 1.00 0.00 C ATOM 67 CG GLU A 3 10.896 3.346 6.715 1.00 0.00 C ATOM 68 CD GLU A 3 11.553 3.173 8.071 1.00 0.00 C ATOM 69 OE1 GLU A 3 11.429 4.089 8.912 1.00 0.00 O ATOM 70 OE2 GLU A 3 12.191 2.123 8.292 1.00 0.00 O ATOM 0 H GLU A 3 9.186 3.574 4.766 1.00 0.00 H new ATOM 0 HA GLU A 3 11.316 5.498 4.029 1.00 0.00 H new ATOM 0 HB2 GLU A 3 12.566 4.447 5.958 1.00 0.00 H new ATOM 0 HB3 GLU A 3 11.197 5.442 6.413 1.00 0.00 H new ATOM 0 HG2 GLU A 3 9.826 3.504 6.851 1.00 0.00 H new ATOM 0 HG3 GLU A 3 11.012 2.428 6.140 1.00 0.00 H new ATOM 77 N GLY A 4 11.634 3.520 2.358 1.00 0.00 N ATOM 78 CA GLY A 4 12.241 2.507 1.514 1.00 0.00 C ATOM 79 C GLY A 4 11.213 1.646 0.809 1.00 0.00 C ATOM 80 O GLY A 4 10.457 0.917 1.452 1.00 0.00 O ATOM 0 H GLY A 4 11.179 4.281 1.854 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.876 2.990 0.771 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.887 1.872 2.121 1.00 0.00 H new ATOM 84 N LYS A 5 11.184 1.729 -0.517 1.00 0.00 N ATOM 85 CA LYS A 5 10.243 0.950 -1.312 1.00 0.00 C ATOM 86 C LYS A 5 10.535 1.099 -2.801 1.00 0.00 C ATOM 87 O LYS A 5 11.568 1.644 -3.189 1.00 0.00 O ATOM 88 CB LYS A 5 8.805 1.383 -1.011 1.00 0.00 C ATOM 89 CG LYS A 5 8.465 2.775 -1.521 1.00 0.00 C ATOM 90 CD LYS A 5 8.488 3.802 -0.401 1.00 0.00 C ATOM 91 CE LYS A 5 9.751 4.644 -0.447 1.00 0.00 C ATOM 92 NZ LYS A 5 9.734 5.729 0.573 1.00 0.00 N ATOM 0 H LYS A 5 11.802 2.329 -1.064 1.00 0.00 H new ATOM 0 HA LYS A 5 10.360 -0.100 -1.043 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.118 0.664 -1.458 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.644 1.351 0.067 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.177 3.064 -2.295 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.478 2.763 -1.984 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.614 4.449 -0.481 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.422 3.295 0.561 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.619 4.005 -0.283 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.860 5.081 -1.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.688 5.847 0.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.432 6.619 0.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.070 5.480 1.334 1.00 0.00 H new ATOM 106 N THR A 6 9.617 0.616 -3.631 1.00 0.00 N ATOM 107 CA THR A 6 9.777 0.703 -5.076 1.00 0.00 C ATOM 108 C THR A 6 8.492 1.186 -5.738 1.00 0.00 C ATOM 109 O THR A 6 7.408 1.084 -5.165 1.00 0.00 O ATOM 110 CB THR A 6 10.188 -0.653 -5.659 1.00 0.00 C ATOM 111 OG1 THR A 6 9.875 -0.724 -7.039 1.00 0.00 O ATOM 112 CG2 THR A 6 9.524 -1.831 -4.980 1.00 0.00 C ATOM 0 H THR A 6 8.756 0.161 -3.328 1.00 0.00 H new ATOM 0 HA THR A 6 10.566 1.427 -5.280 1.00 0.00 H new ATOM 0 HB THR A 6 11.263 -0.718 -5.491 1.00 0.00 H new ATOM 0 HG1 THR A 6 10.411 -1.428 -7.460 1.00 0.00 H new ATOM 0 HG21 THR A 6 9.862 -2.757 -5.445 1.00 0.00 H new ATOM 0 HG22 THR A 6 9.789 -1.838 -3.923 1.00 0.00 H new ATOM 0 HG23 THR A 6 8.442 -1.748 -5.083 1.00 0.00 H new ATOM 120 N CYS A 7 8.626 1.713 -6.948 1.00 0.00 N ATOM 121 CA CYS A 7 7.481 2.217 -7.696 1.00 0.00 C ATOM 122 C CYS A 7 7.433 1.579 -9.085 1.00 0.00 C ATOM 123 O CYS A 7 7.436 2.275 -10.101 1.00 0.00 O ATOM 124 CB CYS A 7 7.547 3.747 -7.822 1.00 0.00 C ATOM 125 SG CYS A 7 8.689 4.563 -6.655 1.00 0.00 S ATOM 0 H CYS A 7 9.518 1.803 -7.434 1.00 0.00 H new ATOM 0 HA CYS A 7 6.574 1.952 -7.153 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.846 4.001 -8.839 1.00 0.00 H new ATOM 0 HB3 CYS A 7 6.547 4.153 -7.673 1.00 0.00 H new ATOM 130 N GLY A 8 7.399 0.250 -9.121 1.00 0.00 N ATOM 131 CA GLY A 8 7.363 -0.453 -10.392 1.00 0.00 C ATOM 132 C GLY A 8 6.539 -1.729 -10.342 1.00 0.00 C ATOM 133 O GLY A 8 5.476 -1.803 -10.959 1.00 0.00 O ATOM 0 H GLY A 8 7.396 -0.351 -8.297 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.953 0.208 -11.155 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.381 -0.696 -10.695 1.00 0.00 H new ATOM 137 N PRO A 9 7.006 -2.760 -9.613 1.00 0.00 N ATOM 138 CA PRO A 9 6.298 -4.037 -9.494 1.00 0.00 C ATOM 139 C PRO A 9 4.801 -3.849 -9.265 1.00 0.00 C ATOM 140 O PRO A 9 3.988 -4.107 -10.153 1.00 0.00 O ATOM 141 CB PRO A 9 6.952 -4.708 -8.270 1.00 0.00 C ATOM 142 CG PRO A 9 7.926 -3.712 -7.721 1.00 0.00 C ATOM 143 CD PRO A 9 8.252 -2.772 -8.845 1.00 0.00 C ATOM 0 HA PRO A 9 6.376 -4.629 -10.406 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.203 -4.972 -7.524 1.00 0.00 H new ATOM 0 HB3 PRO A 9 7.457 -5.631 -8.555 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.496 -3.173 -6.877 1.00 0.00 H new ATOM 0 HG3 PRO A 9 8.825 -4.209 -7.357 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.515 -1.779 -8.481 1.00 0.00 H new ATOM 0 HD3 PRO A 9 9.093 -3.126 -9.440 1.00 0.00 H new ATOM 151 N SER A 10 4.449 -3.394 -8.070 1.00 0.00 N ATOM 152 CA SER A 10 3.056 -3.161 -7.715 1.00 0.00 C ATOM 153 C SER A 10 2.959 -2.052 -6.677 1.00 0.00 C ATOM 154 O SER A 10 2.875 -2.316 -5.478 1.00 0.00 O ATOM 155 CB SER A 10 2.422 -4.444 -7.171 1.00 0.00 C ATOM 156 OG SER A 10 2.827 -5.573 -7.925 1.00 0.00 O ATOM 0 H SER A 10 5.113 -3.178 -7.327 1.00 0.00 H new ATOM 0 HA SER A 10 2.515 -2.857 -8.611 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.706 -4.579 -6.127 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.336 -4.356 -7.197 1.00 0.00 H new ATOM 0 HG SER A 10 2.410 -6.379 -7.556 1.00 0.00 H new ATOM 162 N SER A 11 2.988 -0.807 -7.142 1.00 0.00 N ATOM 163 CA SER A 11 2.919 0.335 -6.243 1.00 0.00 C ATOM 164 C SER A 11 2.032 1.443 -6.799 1.00 0.00 C ATOM 165 O SER A 11 1.609 1.403 -7.955 1.00 0.00 O ATOM 166 CB SER A 11 4.323 0.881 -5.979 1.00 0.00 C ATOM 167 OG SER A 11 5.148 -0.104 -5.380 1.00 0.00 O ATOM 0 H SER A 11 3.058 -0.566 -8.131 1.00 0.00 H new ATOM 0 HA SER A 11 2.477 -0.010 -5.309 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.770 1.213 -6.916 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.261 1.753 -5.328 1.00 0.00 H new ATOM 0 HG SER A 11 6.089 0.142 -5.499 1.00 0.00 H new ATOM 173 N PHE A 12 1.763 2.431 -5.955 1.00 0.00 N ATOM 174 CA PHE A 12 0.934 3.570 -6.323 1.00 0.00 C ATOM 175 C PHE A 12 1.591 4.868 -5.857 1.00 0.00 C ATOM 176 O PHE A 12 1.844 5.053 -4.667 1.00 0.00 O ATOM 177 CB PHE A 12 -0.464 3.421 -5.708 1.00 0.00 C ATOM 178 CG PHE A 12 -1.246 4.703 -5.639 1.00 0.00 C ATOM 179 CD1 PHE A 12 -1.742 5.291 -6.791 1.00 0.00 C ATOM 180 CD2 PHE A 12 -1.485 5.317 -4.420 1.00 0.00 C ATOM 181 CE1 PHE A 12 -2.462 6.469 -6.729 1.00 0.00 C ATOM 182 CE2 PHE A 12 -2.204 6.495 -4.352 1.00 0.00 C ATOM 183 CZ PHE A 12 -2.693 7.071 -5.508 1.00 0.00 C ATOM 0 H PHE A 12 2.113 2.465 -4.998 1.00 0.00 H new ATOM 0 HA PHE A 12 0.834 3.604 -7.408 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.030 2.694 -6.291 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.365 3.014 -4.702 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.564 4.824 -7.748 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.105 4.870 -3.513 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.843 6.918 -7.634 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.383 6.965 -3.396 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.256 7.991 -5.457 1.00 0.00 H new ATOM 193 N SER A 13 1.873 5.760 -6.800 1.00 0.00 N ATOM 194 CA SER A 13 2.509 7.033 -6.480 1.00 0.00 C ATOM 195 C SER A 13 1.636 7.863 -5.543 1.00 0.00 C ATOM 196 O SER A 13 0.513 8.229 -5.888 1.00 0.00 O ATOM 197 CB SER A 13 2.799 7.817 -7.760 1.00 0.00 C ATOM 198 OG SER A 13 4.136 7.619 -8.187 1.00 0.00 O ATOM 0 H SER A 13 1.672 5.626 -7.791 1.00 0.00 H new ATOM 0 HA SER A 13 3.450 6.822 -5.971 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.112 7.503 -8.546 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.622 8.879 -7.588 1.00 0.00 H new ATOM 0 HG SER A 13 4.296 8.129 -9.008 1.00 0.00 H new ATOM 204 N CYS A 14 2.160 8.156 -4.355 1.00 0.00 N ATOM 205 CA CYS A 14 1.428 8.941 -3.367 1.00 0.00 C ATOM 206 C CYS A 14 1.074 10.322 -3.921 1.00 0.00 C ATOM 207 O CYS A 14 1.949 11.166 -4.113 1.00 0.00 O ATOM 208 CB CYS A 14 2.251 9.089 -2.083 1.00 0.00 C ATOM 209 SG CYS A 14 1.888 7.845 -0.797 1.00 0.00 S ATOM 0 H CYS A 14 3.089 7.861 -4.054 1.00 0.00 H new ATOM 0 HA CYS A 14 0.503 8.412 -3.136 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.309 9.031 -2.337 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.077 10.082 -1.668 1.00 0.00 H new ATOM 214 N PRO A 15 -0.221 10.569 -4.186 1.00 0.00 N ATOM 215 CA PRO A 15 -0.693 11.851 -4.720 1.00 0.00 C ATOM 216 C PRO A 15 -0.205 13.044 -3.905 1.00 0.00 C ATOM 217 O PRO A 15 -0.372 13.087 -2.686 1.00 0.00 O ATOM 218 CB PRO A 15 -2.215 11.738 -4.623 1.00 0.00 C ATOM 219 CG PRO A 15 -2.492 10.276 -4.660 1.00 0.00 C ATOM 220 CD PRO A 15 -1.324 9.615 -3.985 1.00 0.00 C ATOM 0 HA PRO A 15 -0.322 12.025 -5.730 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.587 12.188 -3.702 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.703 12.254 -5.450 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.424 10.042 -4.145 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.599 9.925 -5.686 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.518 9.444 -2.926 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.101 8.645 -4.429 1.00 0.00 H new ATOM 228 N GLY A 16 0.392 14.016 -4.589 1.00 0.00 N ATOM 229 CA GLY A 16 0.886 15.203 -3.915 1.00 0.00 C ATOM 230 C GLY A 16 2.333 15.077 -3.477 1.00 0.00 C ATOM 231 O GLY A 16 3.022 16.082 -3.301 1.00 0.00 O ATOM 0 H GLY A 16 0.542 14.002 -5.598 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.787 16.060 -4.581 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.264 15.404 -3.043 1.00 0.00 H new ATOM 235 N THR A 17 2.795 13.844 -3.296 1.00 0.00 N ATOM 236 CA THR A 17 4.168 13.601 -2.870 1.00 0.00 C ATOM 237 C THR A 17 4.895 12.689 -3.853 1.00 0.00 C ATOM 238 O THR A 17 4.345 11.691 -4.315 1.00 0.00 O ATOM 239 CB THR A 17 4.184 12.982 -1.473 1.00 0.00 C ATOM 240 OG1 THR A 17 3.332 11.852 -1.416 1.00 0.00 O ATOM 241 CG2 THR A 17 3.744 13.941 -0.390 1.00 0.00 C ATOM 0 H THR A 17 2.240 13.000 -3.437 1.00 0.00 H new ATOM 0 HA THR A 17 4.688 14.558 -2.844 1.00 0.00 H new ATOM 0 HB THR A 17 5.222 12.704 -1.292 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.103 11.662 -0.482 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.778 13.439 0.577 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.411 14.803 -0.375 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.725 14.273 -0.590 1.00 0.00 H new ATOM 249 N HIS A 18 6.140 13.039 -4.161 1.00 0.00 N ATOM 250 CA HIS A 18 6.954 12.253 -5.083 1.00 0.00 C ATOM 251 C HIS A 18 7.036 10.797 -4.634 1.00 0.00 C ATOM 252 O HIS A 18 7.287 9.900 -5.439 1.00 0.00 O ATOM 253 CB HIS A 18 8.360 12.846 -5.177 1.00 0.00 C ATOM 254 CG HIS A 18 8.992 13.095 -3.842 1.00 0.00 C ATOM 255 ND1 HIS A 18 9.867 12.224 -3.232 1.00 0.00 N ATOM 256 CD2 HIS A 18 8.856 14.145 -2.993 1.00 0.00 C ATOM 257 CE1 HIS A 18 10.226 12.759 -2.057 1.00 0.00 C ATOM 258 NE2 HIS A 18 9.641 13.926 -1.865 1.00 0.00 N ATOM 0 H HIS A 18 6.608 13.863 -3.785 1.00 0.00 H new ATOM 0 HA HIS A 18 6.482 12.285 -6.065 1.00 0.00 H new ATOM 0 HB2 HIS A 18 8.994 12.169 -5.750 1.00 0.00 H new ATOM 0 HB3 HIS A 18 8.314 13.784 -5.730 1.00 0.00 H new ATOM 0 HD2 HIS A 18 8.237 15.013 -3.165 1.00 0.00 H new ATOM 0 HE1 HIS A 18 10.906 12.295 -1.358 1.00 0.00 H new ATOM 0 HE2 HIS A 18 9.743 14.540 -1.057 1.00 0.00 H new ATOM 266 N VAL A 19 6.824 10.572 -3.342 1.00 0.00 N ATOM 267 CA VAL A 19 6.873 9.232 -2.775 1.00 0.00 C ATOM 268 C VAL A 19 5.885 8.297 -3.466 1.00 0.00 C ATOM 269 O VAL A 19 4.832 8.726 -3.937 1.00 0.00 O ATOM 270 CB VAL A 19 6.564 9.265 -1.266 1.00 0.00 C ATOM 271 CG1 VAL A 19 5.194 9.880 -1.015 1.00 0.00 C ATOM 272 CG2 VAL A 19 6.650 7.869 -0.665 1.00 0.00 C ATOM 0 H VAL A 19 6.615 11.306 -2.665 1.00 0.00 H new ATOM 0 HA VAL A 19 7.884 8.855 -2.932 1.00 0.00 H new ATOM 0 HB VAL A 19 7.313 9.888 -0.777 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.993 9.895 0.056 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.176 10.899 -1.402 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.431 9.287 -1.519 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.428 7.918 0.401 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.929 7.216 -1.157 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.655 7.472 -0.809 1.00 0.00 H new ATOM 282 N CYS A 20 6.232 7.015 -3.512 1.00 0.00 N ATOM 283 CA CYS A 20 5.377 6.012 -4.133 1.00 0.00 C ATOM 284 C CYS A 20 4.978 4.951 -3.115 1.00 0.00 C ATOM 285 O CYS A 20 5.827 4.239 -2.580 1.00 0.00 O ATOM 286 CB CYS A 20 6.088 5.359 -5.321 1.00 0.00 C ATOM 287 SG CYS A 20 7.673 4.567 -4.898 1.00 0.00 S ATOM 0 H CYS A 20 7.101 6.646 -3.126 1.00 0.00 H new ATOM 0 HA CYS A 20 4.477 6.508 -4.496 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.427 4.612 -5.760 1.00 0.00 H new ATOM 0 HB3 CYS A 20 6.265 6.116 -6.085 1.00 0.00 H new ATOM 292 N VAL A 21 3.680 4.854 -2.848 1.00 0.00 N ATOM 293 CA VAL A 21 3.173 3.883 -1.888 1.00 0.00 C ATOM 294 C VAL A 21 2.797 2.574 -2.581 1.00 0.00 C ATOM 295 O VAL A 21 1.925 2.549 -3.447 1.00 0.00 O ATOM 296 CB VAL A 21 1.949 4.433 -1.127 1.00 0.00 C ATOM 297 CG1 VAL A 21 0.928 5.012 -2.095 1.00 0.00 C ATOM 298 CG2 VAL A 21 1.319 3.355 -0.256 1.00 0.00 C ATOM 0 H VAL A 21 2.962 5.435 -3.282 1.00 0.00 H new ATOM 0 HA VAL A 21 3.972 3.690 -1.172 1.00 0.00 H new ATOM 0 HB VAL A 21 2.291 5.235 -0.473 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.073 5.394 -1.537 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.384 5.824 -2.662 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.595 4.233 -2.781 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.458 3.769 0.270 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.996 2.524 -0.883 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.051 3.000 0.470 1.00 0.00 H new ATOM 308 N PRO A 22 3.456 1.467 -2.204 1.00 0.00 N ATOM 309 CA PRO A 22 3.195 0.149 -2.792 1.00 0.00 C ATOM 310 C PRO A 22 1.722 -0.238 -2.741 1.00 0.00 C ATOM 311 O PRO A 22 0.951 0.313 -1.957 1.00 0.00 O ATOM 312 CB PRO A 22 4.025 -0.796 -1.927 1.00 0.00 C ATOM 313 CG PRO A 22 5.120 0.056 -1.390 1.00 0.00 C ATOM 314 CD PRO A 22 4.510 1.410 -1.178 1.00 0.00 C ATOM 0 HA PRO A 22 3.454 0.122 -3.850 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.427 -1.227 -1.124 1.00 0.00 H new ATOM 0 HB3 PRO A 22 4.419 -1.627 -2.512 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.510 -0.349 -0.456 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.955 0.107 -2.088 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.100 1.515 -0.173 1.00 0.00 H new ATOM 0 HD3 PRO A 22 5.242 2.207 -1.308 1.00 0.00 H new ATOM 322 N GLU A 23 1.341 -1.190 -3.586 1.00 0.00 N ATOM 323 CA GLU A 23 -0.039 -1.655 -3.645 1.00 0.00 C ATOM 324 C GLU A 23 -0.466 -2.280 -2.323 1.00 0.00 C ATOM 325 O GLU A 23 -1.606 -2.115 -1.893 1.00 0.00 O ATOM 326 CB GLU A 23 -0.210 -2.662 -4.784 1.00 0.00 C ATOM 327 CG GLU A 23 -1.416 -2.382 -5.663 1.00 0.00 C ATOM 328 CD GLU A 23 -1.554 -3.379 -6.797 1.00 0.00 C ATOM 329 OE1 GLU A 23 -1.545 -4.597 -6.521 1.00 0.00 O ATOM 330 OE2 GLU A 23 -1.672 -2.941 -7.961 1.00 0.00 O ATOM 0 H GLU A 23 1.970 -1.655 -4.240 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.678 -0.792 -3.834 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.689 -2.657 -5.401 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.302 -3.663 -4.363 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.319 -2.404 -5.053 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.335 -1.376 -6.076 1.00 0.00 H new ATOM 337 N ARG A 24 0.447 -2.991 -1.673 1.00 0.00 N ATOM 338 CA ARG A 24 0.135 -3.617 -0.397 1.00 0.00 C ATOM 339 C ARG A 24 0.013 -2.566 0.698 1.00 0.00 C ATOM 340 O ARG A 24 -0.591 -2.808 1.743 1.00 0.00 O ATOM 341 CB ARG A 24 1.197 -4.649 -0.018 1.00 0.00 C ATOM 342 CG ARG A 24 0.623 -5.849 0.710 1.00 0.00 C ATOM 343 CD ARG A 24 1.033 -5.867 2.171 1.00 0.00 C ATOM 344 NE ARG A 24 -0.025 -6.401 3.028 1.00 0.00 N ATOM 345 CZ ARG A 24 -0.233 -6.019 4.286 1.00 0.00 C ATOM 346 NH1 ARG A 24 0.554 -5.113 4.852 1.00 0.00 N ATOM 347 NH2 ARG A 24 -1.227 -6.552 4.983 1.00 0.00 N ATOM 0 H ARG A 24 1.399 -3.147 -2.005 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.821 -4.130 -0.501 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.705 -4.988 -0.921 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.949 -4.174 0.612 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.464 -5.833 0.637 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.961 -6.765 0.226 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.934 -6.470 2.288 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.283 -4.855 2.490 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.643 -7.112 2.637 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.324 -4.705 4.323 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.389 -4.825 5.816 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.831 -7.254 4.555 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.388 -6.260 5.947 1.00 0.00 H new ATOM 361 N TRP A 25 0.589 -1.393 0.451 1.00 0.00 N ATOM 362 CA TRP A 25 0.540 -0.304 1.413 1.00 0.00 C ATOM 363 C TRP A 25 -0.653 0.612 1.134 1.00 0.00 C ATOM 364 O TRP A 25 -0.731 1.718 1.665 1.00 0.00 O ATOM 365 CB TRP A 25 1.840 0.503 1.372 1.00 0.00 C ATOM 366 CG TRP A 25 3.078 -0.322 1.586 1.00 0.00 C ATOM 367 CD1 TRP A 25 3.187 -1.686 1.536 1.00 0.00 C ATOM 368 CD2 TRP A 25 4.390 0.172 1.881 1.00 0.00 C ATOM 369 NE1 TRP A 25 4.485 -2.064 1.777 1.00 0.00 N ATOM 370 CE2 TRP A 25 5.242 -0.944 1.991 1.00 0.00 C ATOM 371 CE3 TRP A 25 4.927 1.450 2.061 1.00 0.00 C ATOM 372 CZ2 TRP A 25 6.600 -0.819 2.271 1.00 0.00 C ATOM 373 CZ3 TRP A 25 6.275 1.572 2.339 1.00 0.00 C ATOM 374 CH2 TRP A 25 7.099 0.443 2.441 1.00 0.00 C ATOM 0 H TRP A 25 1.094 -1.175 -0.408 1.00 0.00 H new ATOM 0 HA TRP A 25 0.422 -0.734 2.407 1.00 0.00 H new ATOM 0 HB2 TRP A 25 1.913 1.006 0.408 1.00 0.00 H new ATOM 0 HB3 TRP A 25 1.797 1.280 2.135 1.00 0.00 H new ATOM 0 HD1 TRP A 25 2.371 -2.365 1.336 1.00 0.00 H new ATOM 0 HE1 TRP A 25 4.829 -3.024 1.794 1.00 0.00 H new ATOM 0 HE3 TRP A 25 4.300 2.326 1.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.237 -1.688 2.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 6.701 2.554 2.480 1.00 0.00 H new ATOM 0 HH2 TRP A 25 8.149 0.572 2.658 1.00 0.00 H new ATOM 385 N LEU A 26 -1.579 0.143 0.297 1.00 0.00 N ATOM 386 CA LEU A 26 -2.766 0.917 -0.048 1.00 0.00 C ATOM 387 C LEU A 26 -3.847 0.744 1.014 1.00 0.00 C ATOM 388 O LEU A 26 -4.246 1.704 1.673 1.00 0.00 O ATOM 389 CB LEU A 26 -3.301 0.475 -1.414 1.00 0.00 C ATOM 390 CG LEU A 26 -2.888 1.346 -2.605 1.00 0.00 C ATOM 391 CD1 LEU A 26 -1.436 1.790 -2.487 1.00 0.00 C ATOM 392 CD2 LEU A 26 -3.107 0.591 -3.907 1.00 0.00 C ATOM 0 H LEU A 26 -1.527 -0.771 -0.154 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.490 1.971 -0.095 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.967 -0.546 -1.601 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.390 0.450 -1.366 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.512 2.240 -2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.173 2.406 -3.347 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.306 2.368 -1.572 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.789 0.913 -2.457 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.810 1.220 -4.746 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.507 -0.319 -3.905 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.161 0.331 -4.004 1.00 0.00 H new ATOM 404 N CYS A 27 -4.315 -0.489 1.170 1.00 0.00 N ATOM 405 CA CYS A 27 -5.353 -0.802 2.148 1.00 0.00 C ATOM 406 C CYS A 27 -4.802 -1.684 3.264 1.00 0.00 C ATOM 407 O CYS A 27 -5.449 -2.640 3.692 1.00 0.00 O ATOM 408 CB CYS A 27 -6.531 -1.504 1.469 1.00 0.00 C ATOM 409 SG CYS A 27 -6.935 -0.855 -0.183 1.00 0.00 S ATOM 0 H CYS A 27 -3.991 -1.292 0.630 1.00 0.00 H new ATOM 0 HA CYS A 27 -5.698 0.136 2.584 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -6.306 -2.567 1.384 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.410 -1.414 2.107 1.00 0.00 H new ATOM 414 N ASP A 28 -3.603 -1.357 3.733 1.00 0.00 N ATOM 415 CA ASP A 28 -2.967 -2.120 4.801 1.00 0.00 C ATOM 416 C ASP A 28 -3.642 -1.849 6.148 1.00 0.00 C ATOM 417 O ASP A 28 -3.350 -2.515 7.141 1.00 0.00 O ATOM 418 CB ASP A 28 -1.465 -1.791 4.861 1.00 0.00 C ATOM 419 CG ASP A 28 -1.046 -1.094 6.146 1.00 0.00 C ATOM 420 OD1 ASP A 28 -1.616 -0.026 6.457 1.00 0.00 O ATOM 421 OD2 ASP A 28 -0.148 -1.618 6.840 1.00 0.00 O ATOM 0 H ASP A 28 -3.052 -0.570 3.391 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.082 -3.182 4.584 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.895 -2.714 4.755 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.206 -1.158 4.013 1.00 0.00 H new ATOM 426 N GLY A 29 -4.540 -0.866 6.178 1.00 0.00 N ATOM 427 CA GLY A 29 -5.229 -0.532 7.409 1.00 0.00 C ATOM 428 C GLY A 29 -4.898 0.865 7.903 1.00 0.00 C ATOM 429 O GLY A 29 -5.600 1.410 8.754 1.00 0.00 O ATOM 0 H GLY A 29 -4.801 -0.297 5.372 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.305 -0.613 7.252 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.964 -1.258 8.178 1.00 0.00 H new ATOM 433 N ASP A 30 -3.829 1.446 7.366 1.00 0.00 N ATOM 434 CA ASP A 30 -3.410 2.787 7.756 1.00 0.00 C ATOM 435 C ASP A 30 -3.227 3.670 6.527 1.00 0.00 C ATOM 436 O ASP A 30 -3.392 3.216 5.398 1.00 0.00 O ATOM 437 CB ASP A 30 -2.107 2.725 8.557 1.00 0.00 C ATOM 438 CG ASP A 30 -2.222 3.412 9.903 1.00 0.00 C ATOM 439 OD1 ASP A 30 -2.725 2.776 10.854 1.00 0.00 O ATOM 440 OD2 ASP A 30 -1.808 4.586 10.008 1.00 0.00 O ATOM 0 H ASP A 30 -3.238 1.008 6.660 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.189 3.221 8.383 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.825 1.683 8.707 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.307 3.191 7.981 1.00 0.00 H new ATOM 445 N LYS A 31 -2.884 4.933 6.750 1.00 0.00 N ATOM 446 CA LYS A 31 -2.679 5.870 5.652 1.00 0.00 C ATOM 447 C LYS A 31 -1.192 6.091 5.400 1.00 0.00 C ATOM 448 O LYS A 31 -0.558 6.924 6.048 1.00 0.00 O ATOM 449 CB LYS A 31 -3.363 7.202 5.958 1.00 0.00 C ATOM 450 CG LYS A 31 -4.880 7.116 5.954 1.00 0.00 C ATOM 451 CD LYS A 31 -5.515 8.427 6.386 1.00 0.00 C ATOM 452 CE LYS A 31 -6.789 8.715 5.609 1.00 0.00 C ATOM 453 NZ LYS A 31 -7.942 8.989 6.511 1.00 0.00 N ATOM 0 H LYS A 31 -2.742 5.331 7.678 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.121 5.443 4.752 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.029 7.558 6.933 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.046 7.942 5.223 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.228 6.854 4.955 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.202 6.317 6.623 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.739 8.389 7.452 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.806 9.241 6.238 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.629 9.572 4.955 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.023 7.865 4.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.791 9.180 5.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.112 8.162 7.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.730 9.816 7.104 1.00 0.00 H new ATOM 467 N ASP A 32 -0.640 5.336 4.456 1.00 0.00 N ATOM 468 CA ASP A 32 0.774 5.445 4.119 1.00 0.00 C ATOM 469 C ASP A 32 1.084 6.803 3.496 1.00 0.00 C ATOM 470 O ASP A 32 2.101 7.421 3.809 1.00 0.00 O ATOM 471 CB ASP A 32 1.181 4.321 3.162 1.00 0.00 C ATOM 472 CG ASP A 32 1.641 3.076 3.896 1.00 0.00 C ATOM 473 OD1 ASP A 32 2.787 3.069 4.392 1.00 0.00 O ATOM 474 OD2 ASP A 32 0.855 2.109 3.974 1.00 0.00 O ATOM 0 H ASP A 32 -1.151 4.642 3.911 1.00 0.00 H new ATOM 0 HA ASP A 32 1.349 5.352 5.040 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.336 4.070 2.520 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.982 4.673 2.512 1.00 0.00 H new ATOM 479 N CYS A 33 0.201 7.266 2.617 1.00 0.00 N ATOM 480 CA CYS A 33 0.389 8.554 1.961 1.00 0.00 C ATOM 481 C CYS A 33 0.196 9.696 2.952 1.00 0.00 C ATOM 482 O CYS A 33 -0.018 9.469 4.143 1.00 0.00 O ATOM 483 CB CYS A 33 -0.587 8.709 0.791 1.00 0.00 C ATOM 484 SG CYS A 33 -0.142 7.770 -0.712 1.00 0.00 S ATOM 0 H CYS A 33 -0.648 6.771 2.344 1.00 0.00 H new ATOM 0 HA CYS A 33 1.408 8.592 1.577 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.577 8.393 1.119 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.658 9.766 0.534 1.00 0.00 H new ATOM 489 N ALA A 34 0.280 10.923 2.453 1.00 0.00 N ATOM 490 CA ALA A 34 0.121 12.104 3.292 1.00 0.00 C ATOM 491 C ALA A 34 -1.314 12.251 3.786 1.00 0.00 C ATOM 492 O ALA A 34 -1.548 12.563 4.954 1.00 0.00 O ATOM 493 CB ALA A 34 0.541 13.346 2.524 1.00 0.00 C ATOM 0 H ALA A 34 0.458 11.126 1.469 1.00 0.00 H new ATOM 0 HA ALA A 34 0.762 11.985 4.165 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.419 14.224 3.158 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.586 13.254 2.228 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.080 13.451 1.635 1.00 0.00 H new ATOM 499 N ASP A 35 -2.273 12.035 2.890 1.00 0.00 N ATOM 500 CA ASP A 35 -3.684 12.156 3.241 1.00 0.00 C ATOM 501 C ASP A 35 -4.419 10.832 3.056 1.00 0.00 C ATOM 502 O ASP A 35 -5.610 10.812 2.744 1.00 0.00 O ATOM 503 CB ASP A 35 -4.348 13.241 2.391 1.00 0.00 C ATOM 504 CG ASP A 35 -4.318 14.600 3.062 1.00 0.00 C ATOM 505 OD1 ASP A 35 -3.484 14.796 3.971 1.00 0.00 O ATOM 506 OD2 ASP A 35 -5.130 15.469 2.680 1.00 0.00 O ATOM 0 H ASP A 35 -2.099 11.776 1.919 1.00 0.00 H new ATOM 0 HA ASP A 35 -3.743 12.433 4.294 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.843 13.304 1.427 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.382 12.960 2.191 1.00 0.00 H new ATOM 511 N GLY A 36 -3.708 9.727 3.252 1.00 0.00 N ATOM 512 CA GLY A 36 -4.321 8.421 3.103 1.00 0.00 C ATOM 513 C GLY A 36 -4.715 8.121 1.673 1.00 0.00 C ATOM 514 O GLY A 36 -5.596 7.298 1.426 1.00 0.00 O ATOM 0 H GLY A 36 -2.721 9.712 3.511 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.627 7.656 3.452 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.205 8.364 3.739 1.00 0.00 H new ATOM 518 N ALA A 37 -4.055 8.781 0.726 1.00 0.00 N ATOM 519 CA ALA A 37 -4.340 8.566 -0.684 1.00 0.00 C ATOM 520 C ALA A 37 -4.189 7.093 -1.038 1.00 0.00 C ATOM 521 O ALA A 37 -4.921 6.565 -1.875 1.00 0.00 O ATOM 522 CB ALA A 37 -3.422 9.416 -1.543 1.00 0.00 C ATOM 0 H ALA A 37 -3.322 9.466 0.911 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.370 8.863 -0.880 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.647 9.245 -2.596 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.574 10.469 -1.306 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.385 9.146 -1.345 1.00 0.00 H new ATOM 528 N ASP A 38 -3.242 6.431 -0.378 1.00 0.00 N ATOM 529 CA ASP A 38 -3.004 5.012 -0.605 1.00 0.00 C ATOM 530 C ASP A 38 -4.266 4.220 -0.290 1.00 0.00 C ATOM 531 O ASP A 38 -4.653 3.317 -1.031 1.00 0.00 O ATOM 532 CB ASP A 38 -1.839 4.522 0.260 1.00 0.00 C ATOM 533 CG ASP A 38 -2.189 4.468 1.736 1.00 0.00 C ATOM 534 OD1 ASP A 38 -2.208 5.538 2.380 1.00 0.00 O ATOM 535 OD2 ASP A 38 -2.442 3.357 2.246 1.00 0.00 O ATOM 0 H ASP A 38 -2.629 6.856 0.317 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.743 4.861 -1.652 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.536 3.530 -0.074 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.983 5.182 0.117 1.00 0.00 H new ATOM 540 N GLU A 39 -4.913 4.588 0.811 1.00 0.00 N ATOM 541 CA GLU A 39 -6.147 3.938 1.227 1.00 0.00 C ATOM 542 C GLU A 39 -7.312 4.424 0.372 1.00 0.00 C ATOM 543 O GLU A 39 -8.350 3.768 0.284 1.00 0.00 O ATOM 544 CB GLU A 39 -6.429 4.223 2.703 1.00 0.00 C ATOM 545 CG GLU A 39 -5.363 3.685 3.640 1.00 0.00 C ATOM 546 CD GLU A 39 -5.589 2.231 4.010 1.00 0.00 C ATOM 547 OE1 GLU A 39 -6.761 1.840 4.194 1.00 0.00 O ATOM 548 OE2 GLU A 39 -4.593 1.483 4.115 1.00 0.00 O ATOM 0 H GLU A 39 -4.601 5.335 1.431 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.033 2.862 1.093 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.517 5.300 2.846 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.391 3.786 2.971 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.385 3.788 3.169 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.345 4.288 4.548 1.00 0.00 H new ATOM 555 N SER A 40 -7.126 5.581 -0.259 1.00 0.00 N ATOM 556 CA SER A 40 -8.151 6.162 -1.112 1.00 0.00 C ATOM 557 C SER A 40 -8.337 5.330 -2.370 1.00 0.00 C ATOM 558 O SER A 40 -7.547 4.432 -2.659 1.00 0.00 O ATOM 559 CB SER A 40 -7.782 7.598 -1.487 1.00 0.00 C ATOM 560 OG SER A 40 -7.522 8.377 -0.332 1.00 0.00 O ATOM 0 H SER A 40 -6.271 6.133 -0.193 1.00 0.00 H new ATOM 0 HA SER A 40 -9.089 6.171 -0.558 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.903 7.594 -2.132 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.594 8.048 -2.058 1.00 0.00 H new ATOM 0 HG SER A 40 -6.846 7.930 0.219 1.00 0.00 H new ATOM 566 N ILE A 41 -9.387 5.637 -3.115 1.00 0.00 N ATOM 567 CA ILE A 41 -9.685 4.924 -4.344 1.00 0.00 C ATOM 568 C ILE A 41 -8.707 5.308 -5.451 1.00 0.00 C ATOM 569 O ILE A 41 -8.504 4.554 -6.403 1.00 0.00 O ATOM 570 CB ILE A 41 -11.125 5.204 -4.802 1.00 0.00 C ATOM 571 CG1 ILE A 41 -11.544 4.196 -5.867 1.00 0.00 C ATOM 572 CG2 ILE A 41 -11.257 6.629 -5.317 1.00 0.00 C ATOM 573 CD1 ILE A 41 -12.208 2.964 -5.294 1.00 0.00 C ATOM 0 H ILE A 41 -10.049 6.379 -2.887 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.580 3.858 -4.140 1.00 0.00 H new ATOM 0 HB ILE A 41 -11.791 5.095 -3.946 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -12.228 4.678 -6.565 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -10.666 3.895 -6.438 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -12.284 6.807 -5.636 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -10.998 7.329 -4.522 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -10.584 6.774 -6.162 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -12.481 2.288 -6.104 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.518 2.460 -4.618 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -13.104 3.255 -4.746 1.00 0.00 H new ATOM 585 N ALA A 42 -8.098 6.484 -5.315 1.00 0.00 N ATOM 586 CA ALA A 42 -7.135 6.967 -6.296 1.00 0.00 C ATOM 587 C ALA A 42 -6.069 5.913 -6.577 1.00 0.00 C ATOM 588 O ALA A 42 -5.490 5.868 -7.663 1.00 0.00 O ATOM 589 CB ALA A 42 -6.489 8.251 -5.800 1.00 0.00 C ATOM 0 H ALA A 42 -8.256 7.119 -4.533 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.664 7.170 -7.227 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.770 8.606 -6.539 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.257 9.009 -5.647 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.976 8.060 -4.858 1.00 0.00 H new ATOM 595 N ALA A 43 -5.819 5.066 -5.584 1.00 0.00 N ATOM 596 CA ALA A 43 -4.828 4.006 -5.704 1.00 0.00 C ATOM 597 C ALA A 43 -5.478 2.686 -6.107 1.00 0.00 C ATOM 598 O ALA A 43 -4.820 1.796 -6.646 1.00 0.00 O ATOM 599 CB ALA A 43 -4.087 3.842 -4.387 1.00 0.00 C ATOM 0 H ALA A 43 -6.294 5.095 -4.682 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.121 4.286 -6.485 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.347 3.048 -4.482 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.586 4.776 -4.133 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.796 3.585 -3.600 1.00 0.00 H new ATOM 605 N GLY A 44 -6.772 2.563 -5.829 1.00 0.00 N ATOM 606 CA GLY A 44 -7.490 1.347 -6.155 1.00 0.00 C ATOM 607 C GLY A 44 -7.841 0.555 -4.914 1.00 0.00 C ATOM 608 O GLY A 44 -7.836 -0.676 -4.926 1.00 0.00 O ATOM 0 H GLY A 44 -7.336 3.286 -5.383 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.402 1.597 -6.697 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.882 0.732 -6.819 1.00 0.00 H new ATOM 612 N CYS A 45 -8.137 1.272 -3.836 1.00 0.00 N ATOM 613 CA CYS A 45 -8.484 0.648 -2.566 1.00 0.00 C ATOM 614 C CYS A 45 -9.950 0.212 -2.531 1.00 0.00 C ATOM 615 O CYS A 45 -10.419 -0.320 -1.526 1.00 0.00 O ATOM 616 CB CYS A 45 -8.202 1.621 -1.419 1.00 0.00 C ATOM 617 SG CYS A 45 -7.994 0.830 0.210 1.00 0.00 S ATOM 0 H CYS A 45 -8.143 2.292 -3.817 1.00 0.00 H new ATOM 0 HA CYS A 45 -7.870 -0.245 -2.452 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.299 2.186 -1.652 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -9.020 2.338 -1.359 1.00 0.00 H new ATOM 622 N LEU A 46 -10.671 0.440 -3.626 1.00 0.00 N ATOM 623 CA LEU A 46 -12.082 0.068 -3.706 1.00 0.00 C ATOM 624 C LEU A 46 -12.922 0.860 -2.705 1.00 0.00 C ATOM 625 O LEU A 46 -14.071 0.509 -2.436 1.00 0.00 O ATOM 626 CB LEU A 46 -12.260 -1.433 -3.451 1.00 0.00 C ATOM 627 CG LEU A 46 -11.257 -2.359 -4.153 1.00 0.00 C ATOM 628 CD1 LEU A 46 -10.776 -1.758 -5.467 1.00 0.00 C ATOM 629 CD2 LEU A 46 -10.080 -2.664 -3.237 1.00 0.00 C ATOM 0 H LEU A 46 -10.303 0.880 -4.469 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.426 0.305 -4.713 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.196 -1.609 -2.377 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -13.265 -1.717 -3.762 1.00 0.00 H new ATOM 0 HG LEU A 46 -11.768 -3.294 -4.383 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.067 -2.437 -5.940 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.628 -1.603 -6.130 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.289 -0.802 -5.273 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.379 -3.322 -3.752 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.576 -1.735 -2.970 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.440 -3.154 -2.333 1.00 0.00 H new ATOM 641 N TYR A 47 -12.347 1.927 -2.157 1.00 0.00 N ATOM 642 CA TYR A 47 -13.047 2.763 -1.190 1.00 0.00 C ATOM 643 C TYR A 47 -12.170 3.935 -0.761 1.00 0.00 C ATOM 644 O TYR A 47 -11.059 4.106 -1.262 1.00 0.00 O ATOM 645 CB TYR A 47 -13.459 1.938 0.035 1.00 0.00 C ATOM 646 CG TYR A 47 -12.296 1.500 0.896 1.00 0.00 C ATOM 647 CD1 TYR A 47 -11.742 2.359 1.837 1.00 0.00 C ATOM 648 CD2 TYR A 47 -11.749 0.230 0.765 1.00 0.00 C ATOM 649 CE1 TYR A 47 -10.678 1.965 2.623 1.00 0.00 C ATOM 650 CE2 TYR A 47 -10.684 -0.172 1.549 1.00 0.00 C ATOM 651 CZ TYR A 47 -10.152 0.699 2.476 1.00 0.00 C ATOM 652 OH TYR A 47 -9.089 0.305 3.258 1.00 0.00 O ATOM 0 H TYR A 47 -11.397 2.232 -2.367 1.00 0.00 H new ATOM 0 HA TYR A 47 -13.946 3.155 -1.666 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -14.147 2.526 0.642 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -14.004 1.055 -0.300 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -12.151 3.352 1.955 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -12.162 -0.454 0.039 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -10.259 2.645 3.350 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.271 -1.163 1.436 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.488 1.066 3.400 1.00 0.00 H new ATOM 662 N ASN A 48 -12.676 4.741 0.166 1.00 0.00 N ATOM 663 CA ASN A 48 -11.933 5.896 0.656 1.00 0.00 C ATOM 664 C ASN A 48 -12.695 6.597 1.777 1.00 0.00 C ATOM 665 O ASN A 48 -12.654 7.820 1.904 1.00 0.00 O ATOM 666 CB ASN A 48 -11.662 6.867 -0.495 1.00 0.00 C ATOM 667 CG ASN A 48 -10.901 8.107 -0.063 1.00 0.00 C ATOM 668 OD1 ASN A 48 -11.209 9.218 -0.495 1.00 0.00 O ATOM 669 ND2 ASN A 48 -9.901 7.925 0.792 1.00 0.00 N ATOM 0 H ASN A 48 -13.594 4.617 0.592 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.982 5.551 1.061 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -11.095 6.352 -1.271 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.611 7.167 -0.940 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.355 8.723 1.115 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.679 6.987 1.125 1.00 0.00 H new ATOM 676 N SER A 49 -13.391 5.811 2.593 1.00 0.00 N ATOM 677 CA SER A 49 -14.160 6.355 3.707 1.00 0.00 C ATOM 678 C SER A 49 -14.965 5.257 4.401 1.00 0.00 C ATOM 679 O SER A 49 -14.518 4.681 5.393 1.00 0.00 O ATOM 680 CB SER A 49 -15.090 7.471 3.220 1.00 0.00 C ATOM 681 OG SER A 49 -14.725 8.721 3.780 1.00 0.00 O ATOM 0 H SER A 49 -13.438 4.796 2.504 1.00 0.00 H new ATOM 0 HA SER A 49 -13.460 6.774 4.430 1.00 0.00 H new ATOM 0 HB2 SER A 49 -15.052 7.531 2.132 1.00 0.00 H new ATOM 0 HB3 SER A 49 -16.119 7.235 3.490 1.00 0.00 H new ATOM 0 HG SER A 49 -13.846 8.988 3.439 1.00 0.00 H new ATOM 687 N THR A 50 -16.154 4.968 3.872 1.00 0.00 N ATOM 688 CA THR A 50 -17.023 3.937 4.435 1.00 0.00 C ATOM 689 C THR A 50 -17.121 4.056 5.956 1.00 0.00 C ATOM 690 O THR A 50 -17.360 3.068 6.649 1.00 0.00 O ATOM 691 CB THR A 50 -16.509 2.551 4.047 1.00 0.00 C ATOM 692 OG1 THR A 50 -15.391 2.190 4.837 1.00 0.00 O ATOM 693 CG2 THR A 50 -16.096 2.456 2.593 1.00 0.00 C ATOM 0 H THR A 50 -16.538 5.436 3.051 1.00 0.00 H new ATOM 0 HA THR A 50 -18.023 4.079 4.025 1.00 0.00 H new ATOM 0 HB THR A 50 -17.345 1.873 4.218 1.00 0.00 H new ATOM 0 HG1 THR A 50 -14.986 2.997 5.219 1.00 0.00 H new ATOM 0 HG21 THR A 50 -15.741 1.448 2.381 1.00 0.00 H new ATOM 0 HG22 THR A 50 -16.952 2.681 1.956 1.00 0.00 H new ATOM 0 HG23 THR A 50 -15.298 3.171 2.394 1.00 0.00 H new ATOM 701 N GLY A 51 -16.943 5.275 6.464 1.00 0.00 N ATOM 702 CA GLY A 51 -17.020 5.513 7.897 1.00 0.00 C ATOM 703 C GLY A 51 -16.309 4.455 8.722 1.00 0.00 C ATOM 704 O GLY A 51 -16.703 4.177 9.855 1.00 0.00 O ATOM 0 H GLY A 51 -16.746 6.105 5.905 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -16.588 6.488 8.120 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -18.068 5.553 8.196 1.00 0.00 H new ATOM 708 N SER A 52 -15.262 3.862 8.158 1.00 0.00 N ATOM 709 CA SER A 52 -14.506 2.830 8.859 1.00 0.00 C ATOM 710 C SER A 52 -13.079 2.731 8.325 1.00 0.00 C ATOM 711 O SER A 52 -12.144 3.266 8.922 1.00 0.00 O ATOM 712 CB SER A 52 -15.211 1.477 8.729 1.00 0.00 C ATOM 713 OG SER A 52 -16.383 1.435 9.523 1.00 0.00 O ATOM 0 H SER A 52 -14.919 4.077 7.222 1.00 0.00 H new ATOM 0 HA SER A 52 -14.455 3.107 9.912 1.00 0.00 H new ATOM 0 HB2 SER A 52 -15.468 1.296 7.685 1.00 0.00 H new ATOM 0 HB3 SER A 52 -14.533 0.679 9.033 1.00 0.00 H new ATOM 0 HG SER A 52 -16.612 2.342 9.816 1.00 0.00 H new ATOM 719 N GLY A 53 -12.917 2.040 7.201 1.00 0.00 N ATOM 720 CA GLY A 53 -11.602 1.879 6.608 1.00 0.00 C ATOM 721 C GLY A 53 -11.493 0.610 5.788 1.00 0.00 C ATOM 722 O GLY A 53 -11.912 0.574 4.631 1.00 0.00 O ATOM 0 H GLY A 53 -13.675 1.588 6.689 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.384 2.738 5.974 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.849 1.865 7.396 1.00 0.00 H new ATOM 726 N SER A 54 -10.935 -0.437 6.389 1.00 0.00 N ATOM 727 CA SER A 54 -10.780 -1.716 5.706 1.00 0.00 C ATOM 728 C SER A 54 -12.134 -2.268 5.278 1.00 0.00 C ATOM 729 O SER A 54 -12.753 -3.051 5.998 1.00 0.00 O ATOM 730 CB SER A 54 -10.072 -2.721 6.614 1.00 0.00 C ATOM 731 OG SER A 54 -10.796 -2.925 7.815 1.00 0.00 O ATOM 0 H SER A 54 -10.583 -0.424 7.346 1.00 0.00 H new ATOM 0 HA SER A 54 -10.174 -1.553 4.815 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.957 -3.670 6.090 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.070 -2.361 6.847 1.00 0.00 H new ATOM 0 HG SER A 54 -11.747 -3.041 7.608 1.00 0.00 H new ATOM 737 N GLY A 55 -12.591 -1.851 4.102 1.00 0.00 N ATOM 738 CA GLY A 55 -13.871 -2.311 3.599 1.00 0.00 C ATOM 739 C GLY A 55 -13.734 -3.120 2.326 1.00 0.00 C ATOM 740 O GLY A 55 -12.884 -4.003 2.235 1.00 0.00 O ATOM 0 H GLY A 55 -12.097 -1.203 3.489 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -14.361 -2.917 4.361 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -14.515 -1.452 3.413 1.00 0.00 H new ATOM 744 N SER A 56 -14.575 -2.819 1.341 1.00 0.00 N ATOM 745 CA SER A 56 -14.546 -3.525 0.063 1.00 0.00 C ATOM 746 C SER A 56 -14.479 -5.038 0.267 1.00 0.00 C ATOM 747 O SER A 56 -13.943 -5.763 -0.570 1.00 0.00 O ATOM 748 CB SER A 56 -13.349 -3.061 -0.769 1.00 0.00 C ATOM 749 OG SER A 56 -12.137 -3.583 -0.254 1.00 0.00 O ATOM 0 H SER A 56 -15.286 -2.090 1.403 1.00 0.00 H new ATOM 0 HA SER A 56 -15.469 -3.292 -0.469 1.00 0.00 H new ATOM 0 HB2 SER A 56 -13.476 -3.380 -1.803 1.00 0.00 H new ATOM 0 HB3 SER A 56 -13.306 -1.972 -0.774 1.00 0.00 H new ATOM 0 HG SER A 56 -12.284 -3.914 0.656 1.00 0.00 H new ATOM 755 N GLY A 57 -15.025 -5.505 1.386 1.00 0.00 N ATOM 756 CA GLY A 57 -15.013 -6.926 1.680 1.00 0.00 C ATOM 757 C GLY A 57 -13.611 -7.499 1.728 1.00 0.00 C ATOM 758 O GLY A 57 -12.633 -6.759 1.833 1.00 0.00 O ATOM 0 H GLY A 57 -15.475 -4.925 2.094 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.505 -7.100 2.637 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -15.592 -7.455 0.923 1.00 0.00 H new ATOM 762 N SER A 129 -13.513 -8.823 1.649 1.00 0.00 N ATOM 763 CA SER A 129 -12.221 -9.500 1.683 1.00 0.00 C ATOM 764 C SER A 129 -11.309 -9.002 0.566 1.00 0.00 C ATOM 765 O SER A 129 -10.087 -9.124 0.650 1.00 0.00 O ATOM 766 CB SER A 129 -12.413 -11.012 1.564 1.00 0.00 C ATOM 767 OG SER A 129 -13.663 -11.412 2.100 1.00 0.00 O ATOM 0 H SER A 129 -14.314 -9.449 1.561 1.00 0.00 H new ATOM 0 HA SER A 129 -11.747 -9.272 2.638 1.00 0.00 H new ATOM 0 HB2 SER A 129 -12.351 -11.308 0.517 1.00 0.00 H new ATOM 0 HB3 SER A 129 -11.608 -11.526 2.089 1.00 0.00 H new ATOM 0 HG SER A 129 -13.762 -12.383 2.010 1.00 0.00 H new ATOM 773 N THR A 130 -11.909 -8.440 -0.481 1.00 0.00 N ATOM 774 CA THR A 130 -11.146 -7.924 -1.613 1.00 0.00 C ATOM 775 C THR A 130 -10.038 -6.984 -1.146 1.00 0.00 C ATOM 776 O THR A 130 -8.997 -6.866 -1.792 1.00 0.00 O ATOM 777 CB THR A 130 -12.071 -7.194 -2.587 1.00 0.00 C ATOM 778 OG1 THR A 130 -13.405 -7.651 -2.449 1.00 0.00 O ATOM 779 CG2 THR A 130 -11.671 -7.373 -4.035 1.00 0.00 C ATOM 0 H THR A 130 -12.919 -8.331 -0.568 1.00 0.00 H new ATOM 0 HA THR A 130 -10.686 -8.771 -2.122 1.00 0.00 H new ATOM 0 HB THR A 130 -11.988 -6.138 -2.331 1.00 0.00 H new ATOM 0 HG1 THR A 130 -13.870 -7.107 -1.780 1.00 0.00 H new ATOM 0 HG21 THR A 130 -12.367 -6.830 -4.675 1.00 0.00 H new ATOM 0 HG22 THR A 130 -10.663 -6.985 -4.185 1.00 0.00 H new ATOM 0 HG23 THR A 130 -11.694 -8.432 -4.291 1.00 0.00 H new ATOM 787 N GLU A 131 -10.269 -6.320 -0.018 1.00 0.00 N ATOM 788 CA GLU A 131 -9.290 -5.393 0.537 1.00 0.00 C ATOM 789 C GLU A 131 -7.982 -6.112 0.848 1.00 0.00 C ATOM 790 O GLU A 131 -6.941 -5.806 0.269 1.00 0.00 O ATOM 791 CB GLU A 131 -9.841 -4.738 1.806 1.00 0.00 C ATOM 792 CG GLU A 131 -9.091 -3.484 2.220 1.00 0.00 C ATOM 793 CD GLU A 131 -8.114 -3.736 3.352 1.00 0.00 C ATOM 794 OE1 GLU A 131 -7.581 -4.862 3.436 1.00 0.00 O ATOM 795 OE2 GLU A 131 -7.882 -2.807 4.154 1.00 0.00 O ATOM 0 H GLU A 131 -11.125 -6.407 0.529 1.00 0.00 H new ATOM 0 HA GLU A 131 -9.093 -4.620 -0.205 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -10.890 -4.488 1.649 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -9.804 -5.459 2.622 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -8.551 -3.088 1.360 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -9.807 -2.721 2.526 1.00 0.00 H new ATOM 802 N GLU A 132 -8.045 -7.072 1.765 1.00 0.00 N ATOM 803 CA GLU A 132 -6.867 -7.839 2.153 1.00 0.00 C ATOM 804 C GLU A 132 -6.370 -8.697 0.994 1.00 0.00 C ATOM 805 O GLU A 132 -5.187 -9.025 0.914 1.00 0.00 O ATOM 806 CB GLU A 132 -7.181 -8.728 3.359 1.00 0.00 C ATOM 807 CG GLU A 132 -8.026 -8.043 4.422 1.00 0.00 C ATOM 808 CD GLU A 132 -7.302 -7.910 5.747 1.00 0.00 C ATOM 809 OE1 GLU A 132 -6.191 -7.339 5.763 1.00 0.00 O ATOM 810 OE2 GLU A 132 -7.846 -8.376 6.770 1.00 0.00 O ATOM 0 H GLU A 132 -8.900 -7.337 2.254 1.00 0.00 H new ATOM 0 HA GLU A 132 -6.082 -7.134 2.425 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -7.701 -9.622 3.014 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -6.245 -9.058 3.809 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -8.314 -7.053 4.069 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -8.946 -8.609 4.570 1.00 0.00 H new ATOM 817 N LEU A 133 -7.283 -9.061 0.100 1.00 0.00 N ATOM 818 CA LEU A 133 -6.940 -9.884 -1.053 1.00 0.00 C ATOM 819 C LEU A 133 -5.875 -9.210 -1.914 1.00 0.00 C ATOM 820 O LEU A 133 -4.719 -9.633 -1.933 1.00 0.00 O ATOM 821 CB LEU A 133 -8.191 -10.161 -1.887 1.00 0.00 C ATOM 822 CG LEU A 133 -8.875 -11.500 -1.605 1.00 0.00 C ATOM 823 CD1 LEU A 133 -9.197 -11.636 -0.124 1.00 0.00 C ATOM 824 CD2 LEU A 133 -10.138 -11.637 -2.442 1.00 0.00 C ATOM 0 H LEU A 133 -8.267 -8.798 0.152 1.00 0.00 H new ATOM 0 HA LEU A 133 -6.533 -10.827 -0.689 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -8.909 -9.360 -1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -7.921 -10.124 -2.942 1.00 0.00 H new ATOM 0 HG LEU A 133 -8.190 -12.302 -1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -9.683 -12.595 0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -8.275 -11.582 0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -9.864 -10.829 0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -10.613 -12.595 -2.230 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -10.827 -10.828 -2.197 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -9.881 -11.586 -3.500 1.00 0.00 H new ATOM 836 N ARG A 134 -6.274 -8.161 -2.628 1.00 0.00 N ATOM 837 CA ARG A 134 -5.356 -7.427 -3.496 1.00 0.00 C ATOM 838 C ARG A 134 -4.106 -6.997 -2.735 1.00 0.00 C ATOM 839 O ARG A 134 -3.001 -7.003 -3.278 1.00 0.00 O ATOM 840 CB ARG A 134 -6.054 -6.198 -4.083 1.00 0.00 C ATOM 841 CG ARG A 134 -6.461 -5.172 -3.038 1.00 0.00 C ATOM 842 CD ARG A 134 -7.153 -3.975 -3.669 1.00 0.00 C ATOM 843 NE ARG A 134 -6.401 -3.440 -4.802 1.00 0.00 N ATOM 844 CZ ARG A 134 -5.366 -2.612 -4.680 1.00 0.00 C ATOM 845 NH1 ARG A 134 -4.951 -2.227 -3.480 1.00 0.00 N ATOM 846 NH2 ARG A 134 -4.742 -2.168 -5.764 1.00 0.00 N ATOM 0 H ARG A 134 -7.228 -7.799 -2.623 1.00 0.00 H new ATOM 0 HA ARG A 134 -5.054 -8.092 -4.305 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -5.390 -5.724 -4.806 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -6.941 -6.520 -4.628 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -7.127 -5.637 -2.311 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -5.578 -4.837 -2.493 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -8.150 -4.266 -4.001 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -7.282 -3.195 -2.919 1.00 0.00 H new ATOM 0 HE ARG A 134 -6.686 -3.717 -5.741 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -5.426 -2.566 -2.643 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -4.157 -1.592 -3.394 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -5.056 -2.461 -6.689 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -3.949 -1.533 -5.672 1.00 0.00 H new ATOM 860 N VAL A 135 -4.293 -6.623 -1.476 1.00 0.00 N ATOM 861 CA VAL A 135 -3.191 -6.184 -0.630 1.00 0.00 C ATOM 862 C VAL A 135 -2.257 -7.344 -0.289 1.00 0.00 C ATOM 863 O VAL A 135 -1.107 -7.376 -0.727 1.00 0.00 O ATOM 864 CB VAL A 135 -3.723 -5.551 0.672 1.00 0.00 C ATOM 865 CG1 VAL A 135 -2.584 -5.117 1.580 1.00 0.00 C ATOM 866 CG2 VAL A 135 -4.629 -4.374 0.352 1.00 0.00 C ATOM 0 H VAL A 135 -5.203 -6.615 -1.016 1.00 0.00 H new ATOM 0 HA VAL A 135 -2.628 -5.437 -1.189 1.00 0.00 H new ATOM 0 HB VAL A 135 -4.302 -6.306 1.204 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -2.992 -4.675 2.489 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -1.975 -5.983 1.839 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -1.967 -4.381 1.064 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -4.998 -3.936 1.280 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -4.068 -3.624 -0.205 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -5.472 -4.716 -0.248 1.00 0.00 H new ATOM 876 N ARG A 136 -2.761 -8.290 0.501 1.00 0.00 N ATOM 877 CA ARG A 136 -1.985 -9.458 0.922 1.00 0.00 C ATOM 878 C ARG A 136 -1.102 -10.002 -0.202 1.00 0.00 C ATOM 879 O ARG A 136 0.073 -10.297 0.012 1.00 0.00 O ATOM 880 CB ARG A 136 -2.925 -10.560 1.415 1.00 0.00 C ATOM 881 CG ARG A 136 -3.555 -10.263 2.765 1.00 0.00 C ATOM 882 CD ARG A 136 -4.702 -11.214 3.067 1.00 0.00 C ATOM 883 NE ARG A 136 -4.677 -11.680 4.452 1.00 0.00 N ATOM 884 CZ ARG A 136 -5.611 -12.461 4.988 1.00 0.00 C ATOM 885 NH1 ARG A 136 -6.645 -12.865 4.261 1.00 0.00 N ATOM 886 NH2 ARG A 136 -5.512 -12.839 6.255 1.00 0.00 N ATOM 0 H ARG A 136 -3.713 -8.271 0.866 1.00 0.00 H new ATOM 0 HA ARG A 136 -1.330 -9.136 1.731 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -3.715 -10.708 0.679 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -2.371 -11.496 1.480 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -2.799 -10.344 3.546 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -3.919 -9.236 2.779 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -5.650 -10.713 2.870 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -4.649 -12.071 2.395 1.00 0.00 H new ATOM 0 HE ARG A 136 -3.898 -11.389 5.042 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -6.727 -12.577 3.286 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -7.358 -13.464 4.677 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -4.720 -12.531 6.819 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -6.228 -13.438 6.666 1.00 0.00 H new ATOM 900 N LEU A 137 -1.675 -10.141 -1.393 1.00 0.00 N ATOM 901 CA LEU A 137 -0.944 -10.661 -2.549 1.00 0.00 C ATOM 902 C LEU A 137 0.412 -9.973 -2.723 1.00 0.00 C ATOM 903 O LEU A 137 1.351 -10.558 -3.261 1.00 0.00 O ATOM 904 CB LEU A 137 -1.776 -10.487 -3.820 1.00 0.00 C ATOM 905 CG LEU A 137 -1.395 -11.413 -4.976 1.00 0.00 C ATOM 906 CD1 LEU A 137 -0.010 -11.069 -5.500 1.00 0.00 C ATOM 907 CD2 LEU A 137 -1.452 -12.868 -4.536 1.00 0.00 C ATOM 0 H LEU A 137 -2.647 -9.900 -1.586 1.00 0.00 H new ATOM 0 HA LEU A 137 -0.762 -11.721 -2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -2.825 -10.651 -3.574 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -1.685 -9.454 -4.157 1.00 0.00 H new ATOM 0 HG LEU A 137 -2.114 -11.269 -5.783 1.00 0.00 H new ATOM 0 HD11 LEU A 137 0.244 -11.738 -6.322 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -0.001 -10.038 -5.855 1.00 0.00 H new ATOM 0 HD13 LEU A 137 0.721 -11.184 -4.699 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -1.178 -13.512 -5.372 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -0.756 -13.027 -3.712 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -2.463 -13.110 -4.208 1.00 0.00 H new ATOM 919 N ALA A 138 0.506 -8.728 -2.281 1.00 0.00 N ATOM 920 CA ALA A 138 1.746 -7.970 -2.409 1.00 0.00 C ATOM 921 C ALA A 138 2.576 -7.993 -1.124 1.00 0.00 C ATOM 922 O ALA A 138 3.649 -7.393 -1.062 1.00 0.00 O ATOM 923 CB ALA A 138 1.434 -6.539 -2.807 1.00 0.00 C ATOM 0 H ALA A 138 -0.257 -8.221 -1.832 1.00 0.00 H new ATOM 0 HA ALA A 138 2.345 -8.446 -3.185 1.00 0.00 H new ATOM 0 HB1 ALA A 138 2.363 -5.977 -2.901 1.00 0.00 H new ATOM 0 HB2 ALA A 138 0.908 -6.533 -3.762 1.00 0.00 H new ATOM 0 HB3 ALA A 138 0.807 -6.078 -2.044 1.00 0.00 H new ATOM 929 N SER A 139 2.068 -8.666 -0.097 1.00 0.00 N ATOM 930 CA SER A 139 2.759 -8.739 1.188 1.00 0.00 C ATOM 931 C SER A 139 3.918 -9.736 1.166 1.00 0.00 C ATOM 932 O SER A 139 4.621 -9.892 2.165 1.00 0.00 O ATOM 933 CB SER A 139 1.773 -9.128 2.289 1.00 0.00 C ATOM 934 OG SER A 139 2.453 -9.493 3.478 1.00 0.00 O ATOM 0 H SER A 139 1.181 -9.169 -0.128 1.00 0.00 H new ATOM 0 HA SER A 139 3.174 -7.751 1.388 1.00 0.00 H new ATOM 0 HB2 SER A 139 1.102 -8.293 2.492 1.00 0.00 H new ATOM 0 HB3 SER A 139 1.155 -9.959 1.950 1.00 0.00 H new ATOM 0 HG SER A 139 3.420 -9.408 3.341 1.00 0.00 H new ATOM 940 N HIS A 140 4.115 -10.415 0.040 1.00 0.00 N ATOM 941 CA HIS A 140 5.193 -11.396 -0.067 1.00 0.00 C ATOM 942 C HIS A 140 6.503 -10.732 -0.474 1.00 0.00 C ATOM 943 O HIS A 140 7.583 -11.223 -0.149 1.00 0.00 O ATOM 944 CB HIS A 140 4.847 -12.506 -1.071 1.00 0.00 C ATOM 945 CG HIS A 140 3.394 -12.600 -1.421 1.00 0.00 C ATOM 946 ND1 HIS A 140 2.369 -12.292 -0.555 1.00 0.00 N ATOM 947 CD2 HIS A 140 2.803 -12.974 -2.583 1.00 0.00 C ATOM 948 CE1 HIS A 140 1.214 -12.483 -1.203 1.00 0.00 C ATOM 949 NE2 HIS A 140 1.422 -12.900 -2.437 1.00 0.00 N ATOM 0 H HIS A 140 3.551 -10.307 -0.803 1.00 0.00 H new ATOM 0 HA HIS A 140 5.313 -11.843 0.920 1.00 0.00 H new ATOM 0 HB2 HIS A 140 5.417 -12.342 -1.985 1.00 0.00 H new ATOM 0 HB3 HIS A 140 5.171 -13.463 -0.661 1.00 0.00 H new ATOM 0 HD1 HIS A 140 2.472 -11.975 0.409 1.00 0.00 H new ATOM 0 HD2 HIS A 140 3.322 -13.280 -3.479 1.00 0.00 H new ATOM 0 HE1 HIS A 140 0.238 -12.317 -0.772 1.00 0.00 H new ATOM 957 N LEU A 141 6.404 -9.619 -1.191 1.00 0.00 N ATOM 958 CA LEU A 141 7.590 -8.903 -1.642 1.00 0.00 C ATOM 959 C LEU A 141 7.739 -7.563 -0.926 1.00 0.00 C ATOM 960 O LEU A 141 8.650 -7.369 -0.128 1.00 0.00 O ATOM 961 CB LEU A 141 7.533 -8.676 -3.152 1.00 0.00 C ATOM 962 CG LEU A 141 8.687 -7.846 -3.722 1.00 0.00 C ATOM 963 CD1 LEU A 141 9.652 -8.731 -4.494 1.00 0.00 C ATOM 964 CD2 LEU A 141 8.155 -6.726 -4.605 1.00 0.00 C ATOM 0 H LEU A 141 5.520 -9.195 -1.471 1.00 0.00 H new ATOM 0 HA LEU A 141 8.457 -9.518 -1.401 1.00 0.00 H new ATOM 0 HB2 LEU A 141 7.521 -9.645 -3.650 1.00 0.00 H new ATOM 0 HB3 LEU A 141 6.593 -8.180 -3.395 1.00 0.00 H new ATOM 0 HG LEU A 141 9.230 -7.395 -2.891 1.00 0.00 H new ATOM 0 HD11 LEU A 141 10.465 -8.123 -4.891 1.00 0.00 H new ATOM 0 HD12 LEU A 141 10.060 -9.492 -3.828 1.00 0.00 H new ATOM 0 HD13 LEU A 141 9.124 -9.214 -5.317 1.00 0.00 H new ATOM 0 HD21 LEU A 141 8.989 -6.147 -5.001 1.00 0.00 H new ATOM 0 HD22 LEU A 141 7.585 -7.153 -5.431 1.00 0.00 H new ATOM 0 HD23 LEU A 141 7.508 -6.075 -4.017 1.00 0.00 H new ATOM 976 N ARG A 142 6.847 -6.633 -1.232 1.00 0.00 N ATOM 977 CA ARG A 142 6.892 -5.305 -0.633 1.00 0.00 C ATOM 978 C ARG A 142 7.005 -5.367 0.890 1.00 0.00 C ATOM 979 O ARG A 142 8.046 -5.030 1.455 1.00 0.00 O ATOM 980 CB ARG A 142 5.648 -4.505 -1.042 1.00 0.00 C ATOM 981 CG ARG A 142 5.906 -3.368 -2.032 1.00 0.00 C ATOM 982 CD ARG A 142 7.218 -3.520 -2.792 1.00 0.00 C ATOM 983 NE ARG A 142 8.341 -2.925 -2.069 1.00 0.00 N ATOM 984 CZ ARG A 142 9.608 -3.310 -2.216 1.00 0.00 C ATOM 985 NH1 ARG A 142 9.923 -4.266 -3.082 1.00 0.00 N ATOM 986 NH2 ARG A 142 10.563 -2.736 -1.499 1.00 0.00 N ATOM 0 H ARG A 142 6.082 -6.772 -1.892 1.00 0.00 H new ATOM 0 HA ARG A 142 7.786 -4.804 -1.004 1.00 0.00 H new ATOM 0 HB2 ARG A 142 4.922 -5.190 -1.480 1.00 0.00 H new ATOM 0 HB3 ARG A 142 5.191 -4.088 -0.144 1.00 0.00 H new ATOM 0 HG2 ARG A 142 5.083 -3.323 -2.746 1.00 0.00 H new ATOM 0 HG3 ARG A 142 5.913 -2.420 -1.493 1.00 0.00 H new ATOM 0 HD2 ARG A 142 7.417 -4.578 -2.964 1.00 0.00 H new ATOM 0 HD3 ARG A 142 7.127 -3.049 -3.771 1.00 0.00 H new ATOM 0 HE ARG A 142 8.143 -2.170 -1.413 1.00 0.00 H new ATOM 0 HH11 ARG A 142 9.193 -4.710 -3.639 1.00 0.00 H new ATOM 0 HH12 ARG A 142 10.895 -4.556 -3.190 1.00 0.00 H new ATOM 0 HH21 ARG A 142 10.328 -1.999 -0.834 1.00 0.00 H new ATOM 0 HH22 ARG A 142 11.533 -3.031 -1.612 1.00 0.00 H new ATOM 1000 N LYS A 143 5.931 -5.782 1.552 1.00 0.00 N ATOM 1001 CA LYS A 143 5.923 -5.865 3.009 1.00 0.00 C ATOM 1002 C LYS A 143 6.950 -6.873 3.525 1.00 0.00 C ATOM 1003 O LYS A 143 7.446 -6.742 4.644 1.00 0.00 O ATOM 1004 CB LYS A 143 4.527 -6.228 3.515 1.00 0.00 C ATOM 1005 CG LYS A 143 3.973 -5.230 4.519 1.00 0.00 C ATOM 1006 CD LYS A 143 3.867 -3.836 3.919 1.00 0.00 C ATOM 1007 CE LYS A 143 3.177 -2.866 4.867 1.00 0.00 C ATOM 1008 NZ LYS A 143 3.696 -2.983 6.257 1.00 0.00 N ATOM 0 H LYS A 143 5.058 -6.065 1.106 1.00 0.00 H new ATOM 0 HA LYS A 143 6.199 -4.883 3.394 1.00 0.00 H new ATOM 0 HB2 LYS A 143 3.846 -6.295 2.666 1.00 0.00 H new ATOM 0 HB3 LYS A 143 4.560 -7.215 3.975 1.00 0.00 H new ATOM 0 HG2 LYS A 143 2.989 -5.558 4.855 1.00 0.00 H new ATOM 0 HG3 LYS A 143 4.617 -5.201 5.398 1.00 0.00 H new ATOM 0 HD2 LYS A 143 4.864 -3.465 3.681 1.00 0.00 H new ATOM 0 HD3 LYS A 143 3.313 -3.885 2.981 1.00 0.00 H new ATOM 0 HE2 LYS A 143 3.321 -1.846 4.511 1.00 0.00 H new ATOM 0 HE3 LYS A 143 2.104 -3.056 4.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 3.397 -2.154 6.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 3.319 -3.847 6.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 4.735 -3.030 6.237 1.00 0.00 H new ATOM 1022 N LEU A 144 7.265 -7.876 2.712 1.00 0.00 N ATOM 1023 CA LEU A 144 8.234 -8.897 3.105 1.00 0.00 C ATOM 1024 C LEU A 144 9.655 -8.473 2.735 1.00 0.00 C ATOM 1025 O LEU A 144 10.417 -8.023 3.590 1.00 0.00 O ATOM 1026 CB LEU A 144 7.889 -10.239 2.452 1.00 0.00 C ATOM 1027 CG LEU A 144 7.684 -11.397 3.430 1.00 0.00 C ATOM 1028 CD1 LEU A 144 6.773 -12.452 2.826 1.00 0.00 C ATOM 1029 CD2 LEU A 144 9.023 -12.005 3.818 1.00 0.00 C ATOM 0 H LEU A 144 6.867 -8.005 1.782 1.00 0.00 H new ATOM 0 HA LEU A 144 8.186 -9.012 4.188 1.00 0.00 H new ATOM 0 HB2 LEU A 144 6.981 -10.116 1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 144 8.687 -10.505 1.759 1.00 0.00 H new ATOM 0 HG LEU A 144 7.207 -11.009 4.330 1.00 0.00 H new ATOM 0 HD11 LEU A 144 6.639 -13.267 3.537 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.804 -12.008 2.597 1.00 0.00 H new ATOM 0 HD13 LEU A 144 7.221 -12.838 1.910 1.00 0.00 H new ATOM 0 HD21 LEU A 144 8.861 -12.828 4.514 1.00 0.00 H new ATOM 0 HD22 LEU A 144 9.525 -12.378 2.926 1.00 0.00 H new ATOM 0 HD23 LEU A 144 9.644 -11.245 4.293 1.00 0.00 H new ATOM 1041 N ARG A 145 10.002 -8.609 1.457 1.00 0.00 N ATOM 1042 CA ARG A 145 11.329 -8.230 0.975 1.00 0.00 C ATOM 1043 C ARG A 145 11.699 -6.828 1.456 1.00 0.00 C ATOM 1044 O ARG A 145 12.627 -6.654 2.244 1.00 0.00 O ATOM 1045 CB ARG A 145 11.372 -8.283 -0.557 1.00 0.00 C ATOM 1046 CG ARG A 145 12.166 -9.453 -1.110 1.00 0.00 C ATOM 1047 CD ARG A 145 11.627 -10.782 -0.605 1.00 0.00 C ATOM 1048 NE ARG A 145 12.637 -11.837 -0.650 1.00 0.00 N ATOM 1049 CZ ARG A 145 12.356 -13.135 -0.571 1.00 0.00 C ATOM 1050 NH1 ARG A 145 11.099 -13.542 -0.442 1.00 0.00 N ATOM 1051 NH2 ARG A 145 13.333 -14.030 -0.621 1.00 0.00 N ATOM 0 H ARG A 145 9.383 -8.979 0.736 1.00 0.00 H new ATOM 0 HA ARG A 145 12.053 -8.938 1.377 1.00 0.00 H new ATOM 0 HB2 ARG A 145 10.352 -8.336 -0.938 1.00 0.00 H new ATOM 0 HB3 ARG A 145 11.804 -7.355 -0.931 1.00 0.00 H new ATOM 0 HG2 ARG A 145 12.131 -9.435 -2.199 1.00 0.00 H new ATOM 0 HG3 ARG A 145 13.213 -9.351 -0.823 1.00 0.00 H new ATOM 0 HD2 ARG A 145 11.272 -10.663 0.419 1.00 0.00 H new ATOM 0 HD3 ARG A 145 10.768 -11.077 -1.208 1.00 0.00 H new ATOM 0 HE ARG A 145 13.614 -11.562 -0.748 1.00 0.00 H new ATOM 0 HH11 ARG A 145 10.343 -12.858 -0.403 1.00 0.00 H new ATOM 0 HH12 ARG A 145 10.889 -14.538 -0.382 1.00 0.00 H new ATOM 0 HH21 ARG A 145 14.301 -13.724 -0.720 1.00 0.00 H new ATOM 0 HH22 ARG A 145 13.117 -15.025 -0.560 1.00 0.00 H new ATOM 1065 N LYS A 146 10.957 -5.835 0.978 1.00 0.00 N ATOM 1066 CA LYS A 146 11.193 -4.447 1.359 1.00 0.00 C ATOM 1067 C LYS A 146 12.591 -3.990 0.951 1.00 0.00 C ATOM 1068 O LYS A 146 13.307 -3.372 1.738 1.00 0.00 O ATOM 1069 CB LYS A 146 11.007 -4.274 2.868 1.00 0.00 C ATOM 1070 CG LYS A 146 10.957 -2.820 3.313 1.00 0.00 C ATOM 1071 CD LYS A 146 9.562 -2.233 3.149 1.00 0.00 C ATOM 1072 CE LYS A 146 8.863 -2.065 4.490 1.00 0.00 C ATOM 1073 NZ LYS A 146 7.610 -2.865 4.567 1.00 0.00 N ATOM 0 H LYS A 146 10.185 -5.966 0.324 1.00 0.00 H new ATOM 0 HA LYS A 146 10.466 -3.828 0.833 1.00 0.00 H new ATOM 0 HB2 LYS A 146 10.085 -4.770 3.171 1.00 0.00 H new ATOM 0 HB3 LYS A 146 11.824 -4.776 3.386 1.00 0.00 H new ATOM 0 HG2 LYS A 146 11.263 -2.747 4.357 1.00 0.00 H new ATOM 0 HG3 LYS A 146 11.669 -2.236 2.731 1.00 0.00 H new ATOM 0 HD2 LYS A 146 9.630 -1.266 2.650 1.00 0.00 H new ATOM 0 HD3 LYS A 146 8.967 -2.882 2.507 1.00 0.00 H new ATOM 0 HE2 LYS A 146 9.537 -2.368 5.291 1.00 0.00 H new ATOM 0 HE3 LYS A 146 8.632 -1.012 4.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 7.273 -2.888 5.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 6.884 -2.432 3.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 7.797 -3.835 4.242 1.00 0.00 H new ATOM 1087 N ARG A 147 12.971 -4.289 -0.287 1.00 0.00 N ATOM 1088 CA ARG A 147 14.281 -3.900 -0.797 1.00 0.00 C ATOM 1089 C ARG A 147 15.403 -4.534 0.021 1.00 0.00 C ATOM 1090 O ARG A 147 15.865 -3.965 1.009 1.00 0.00 O ATOM 1091 CB ARG A 147 14.417 -2.374 -0.789 1.00 0.00 C ATOM 1092 CG ARG A 147 15.801 -1.878 -1.181 1.00 0.00 C ATOM 1093 CD ARG A 147 16.511 -1.231 -0.004 1.00 0.00 C ATOM 1094 NE ARG A 147 17.962 -1.210 -0.178 1.00 0.00 N ATOM 1095 CZ ARG A 147 18.814 -0.786 0.753 1.00 0.00 C ATOM 1096 NH1 ARG A 147 18.365 -0.350 1.924 1.00 0.00 N ATOM 1097 NH2 ARG A 147 20.118 -0.799 0.514 1.00 0.00 N ATOM 0 H ARG A 147 12.392 -4.798 -0.954 1.00 0.00 H new ATOM 0 HA ARG A 147 14.366 -4.261 -1.822 1.00 0.00 H new ATOM 0 HB2 ARG A 147 13.682 -1.950 -1.473 1.00 0.00 H new ATOM 0 HB3 ARG A 147 14.177 -2.003 0.207 1.00 0.00 H new ATOM 0 HG2 ARG A 147 16.396 -2.712 -1.553 1.00 0.00 H new ATOM 0 HG3 ARG A 147 15.714 -1.159 -1.996 1.00 0.00 H new ATOM 0 HD2 ARG A 147 16.147 -0.211 0.122 1.00 0.00 H new ATOM 0 HD3 ARG A 147 16.264 -1.772 0.909 1.00 0.00 H new ATOM 0 HE ARG A 147 18.344 -1.539 -1.064 1.00 0.00 H new ATOM 0 HH11 ARG A 147 17.363 -0.339 2.114 1.00 0.00 H new ATOM 0 HH12 ARG A 147 19.022 -0.026 2.634 1.00 0.00 H new ATOM 0 HH21 ARG A 147 20.469 -1.134 -0.383 1.00 0.00 H new ATOM 0 HH22 ARG A 147 20.771 -0.474 1.227 1.00 0.00 H new ATOM 1111 N LEU A 148 15.840 -5.715 -0.406 1.00 0.00 N ATOM 1112 CA LEU A 148 16.913 -6.431 0.275 1.00 0.00 C ATOM 1113 C LEU A 148 16.524 -6.784 1.711 1.00 0.00 C ATOM 1114 O LEU A 148 16.070 -7.896 1.981 1.00 0.00 O ATOM 1115 CB LEU A 148 18.198 -5.598 0.264 1.00 0.00 C ATOM 1116 CG LEU A 148 18.997 -5.659 -1.039 1.00 0.00 C ATOM 1117 CD1 LEU A 148 18.128 -5.251 -2.219 1.00 0.00 C ATOM 1118 CD2 LEU A 148 20.229 -4.772 -0.950 1.00 0.00 C ATOM 0 H LEU A 148 15.466 -6.197 -1.223 1.00 0.00 H new ATOM 0 HA LEU A 148 17.088 -7.362 -0.264 1.00 0.00 H new ATOM 0 HB2 LEU A 148 17.941 -4.558 0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 148 18.837 -5.933 1.081 1.00 0.00 H new ATOM 0 HG LEU A 148 19.324 -6.687 -1.194 1.00 0.00 H new ATOM 0 HD11 LEU A 148 18.714 -5.301 -3.137 1.00 0.00 H new ATOM 0 HD12 LEU A 148 17.277 -5.927 -2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 148 17.770 -4.232 -2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 148 20.786 -4.828 -1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 148 19.923 -3.741 -0.770 1.00 0.00 H new ATOM 0 HD23 LEU A 148 20.863 -5.111 -0.130 1.00 0.00 H new ATOM 1130 N LEU A 149 16.710 -5.838 2.629 1.00 0.00 N ATOM 1131 CA LEU A 149 16.383 -6.062 4.034 1.00 0.00 C ATOM 1132 C LEU A 149 14.893 -6.344 4.218 1.00 0.00 C ATOM 1133 O LEU A 149 14.430 -7.402 3.744 1.00 0.00 O ATOM 1134 CB LEU A 149 16.807 -4.858 4.884 1.00 0.00 C ATOM 1135 CG LEU A 149 16.636 -3.484 4.227 1.00 0.00 C ATOM 1136 CD1 LEU A 149 15.233 -3.323 3.664 1.00 0.00 C ATOM 1137 CD2 LEU A 149 16.937 -2.380 5.228 1.00 0.00 C ATOM 1138 OXT LEU A 149 14.202 -5.510 4.841 1.00 0.00 O ATOM 0 H LEU A 149 17.085 -4.911 2.425 1.00 0.00 H new ATOM 0 HA LEU A 149 16.936 -6.940 4.369 1.00 0.00 H new ATOM 0 HB2 LEU A 149 16.232 -4.871 5.810 1.00 0.00 H new ATOM 0 HB3 LEU A 149 17.855 -4.981 5.157 1.00 0.00 H new ATOM 0 HG LEU A 149 17.343 -3.410 3.401 1.00 0.00 H new ATOM 0 HD11 LEU A 149 15.137 -2.340 3.203 1.00 0.00 H new ATOM 0 HD12 LEU A 149 15.051 -4.094 2.916 1.00 0.00 H new ATOM 0 HD13 LEU A 149 14.505 -3.419 4.469 1.00 0.00 H new ATOM 0 HD21 LEU A 149 16.812 -1.409 4.748 1.00 0.00 H new ATOM 0 HD22 LEU A 149 16.252 -2.458 6.073 1.00 0.00 H new ATOM 0 HD23 LEU A 149 17.963 -2.480 5.582 1.00 0.00 H new TER 1150 LEU A 149 HETATM 1151 CA CA A 81 -1.813 1.426 4.136 1.00 0.33 CA