USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 469 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 SER OG : rot 62:sc= 0.975 USER MOD Set 1.2: A 48 ASN : amide:sc= -1.69 K(o=-0.71,f=0.29) USER MOD Single : A 2 SER OG : rot -111:sc= 1.22 USER MOD Single : A 2ALYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 157:sc= -0.67! (180deg=-1.56!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -170:sc= 0 USER MOD Single : A 11 SER OG : rot 160:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 10:sc= -2.53! USER MOD Single : A 18 HIS : no HD1:sc= -0.645 K(o=-0.65,f=0.0098) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot -32:sc= 1.03 USER MOD Single : A 56 SER OG : rot 37:sc= -1.32 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 THR OG1 : rot 180:sc=0.000649 USER MOD Single : A 139 SER OG : rot 8:sc= 0.572! USER MOD Single : A 140 HIS : no HE2:sc= -9.04! C(o=-9!,f=-12!) USER MOD Single : A 143 LYS NZ :NH3+ 137:sc= 1.18 (180deg=0.703) USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 2 5.636 10.617 5.085 1.00 0.00 N ATOM 11 CA SER A 2 5.434 9.173 5.096 1.00 0.00 C ATOM 12 C SER A 2 6.651 8.454 5.668 1.00 0.00 C ATOM 13 O SER A 2 7.671 9.078 5.963 1.00 0.00 O ATOM 14 CB SER A 2 5.151 8.665 3.681 1.00 0.00 C ATOM 15 OG SER A 2 4.200 9.485 3.024 1.00 0.00 O ATOM 0 HA SER A 2 4.575 8.960 5.733 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.077 8.645 3.107 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.782 7.640 3.726 1.00 0.00 H new ATOM 0 HG SER A 2 3.366 8.985 2.901 1.00 0.00 H new ATOM 21 N LYS A 2A 6.539 7.138 5.815 1.00 0.00 N ATOM 22 CA LYS A 2A 7.633 6.331 6.344 1.00 0.00 C ATOM 23 C LYS A 2A 8.163 5.360 5.290 1.00 0.00 C ATOM 24 O LYS A 2A 9.010 4.516 5.582 1.00 0.00 O ATOM 25 CB LYS A 2A 7.180 5.567 7.591 1.00 0.00 C ATOM 26 CG LYS A 2A 6.214 4.424 7.306 1.00 0.00 C ATOM 27 CD LYS A 2A 4.760 4.859 7.433 1.00 0.00 C ATOM 28 CE LYS A 2A 4.471 5.493 8.785 1.00 0.00 C ATOM 29 NZ LYS A 2A 3.274 4.893 9.437 1.00 0.00 N ATOM 0 H LYS A 2A 5.702 6.607 5.575 1.00 0.00 H new ATOM 0 HA LYS A 2A 8.444 7.005 6.620 1.00 0.00 H new ATOM 0 HB2 LYS A 2A 8.058 5.168 8.098 1.00 0.00 H new ATOM 0 HB3 LYS A 2A 6.705 6.266 8.279 1.00 0.00 H new ATOM 0 HG2 LYS A 2A 6.391 4.042 6.301 1.00 0.00 H new ATOM 0 HG3 LYS A 2A 6.409 3.604 7.997 1.00 0.00 H new ATOM 0 HD2 LYS A 2A 4.524 5.570 6.641 1.00 0.00 H new ATOM 0 HD3 LYS A 2A 4.110 3.996 7.291 1.00 0.00 H new ATOM 0 HE2 LYS A 2A 5.337 5.372 9.435 1.00 0.00 H new ATOM 0 HE3 LYS A 2A 4.316 6.564 8.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 2A 3.112 5.353 10.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 2A 2.442 5.031 8.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 2A 3.431 3.875 9.583 1.00 0.00 H new ATOM 43 N LEU A 2B 7.662 5.487 4.064 1.00 0.00 N ATOM 44 CA LEU A 2B 8.089 4.625 2.969 1.00 0.00 C ATOM 45 C LEU A 2B 9.598 4.725 2.764 1.00 0.00 C ATOM 46 O LEU A 2B 10.348 3.822 3.134 1.00 0.00 O ATOM 47 CB LEU A 2B 7.364 5.016 1.681 1.00 0.00 C ATOM 48 CG LEU A 2B 5.934 4.489 1.550 1.00 0.00 C ATOM 49 CD1 LEU A 2B 5.177 4.634 2.864 1.00 0.00 C ATOM 50 CD2 LEU A 2B 5.207 5.219 0.436 1.00 0.00 C ATOM 0 H LEU A 2B 6.959 6.180 3.805 1.00 0.00 H new ATOM 0 HA LEU A 2B 7.839 3.595 3.223 1.00 0.00 H new ATOM 0 HB2 LEU A 2B 7.341 6.104 1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 2B 7.946 4.656 0.832 1.00 0.00 H new ATOM 0 HG LEU A 2B 5.981 3.428 1.303 1.00 0.00 H new ATOM 0 HD11 LEU A 2B 4.163 4.252 2.744 1.00 0.00 H new ATOM 0 HD12 LEU A 2B 5.688 4.068 3.643 1.00 0.00 H new ATOM 0 HD13 LEU A 2B 5.137 5.686 3.147 1.00 0.00 H new ATOM 0 HD21 LEU A 2B 4.190 4.835 0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 2B 5.175 6.285 0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 2B 5.733 5.062 -0.506 1.00 0.00 H new ATOM 62 N GLU A 3 10.029 5.839 2.176 1.00 0.00 N ATOM 63 CA GLU A 3 11.446 6.090 1.917 1.00 0.00 C ATOM 64 C GLU A 3 12.158 4.849 1.383 1.00 0.00 C ATOM 65 O GLU A 3 12.951 4.225 2.089 1.00 0.00 O ATOM 66 CB GLU A 3 12.140 6.582 3.190 1.00 0.00 C ATOM 67 CG GLU A 3 11.899 5.693 4.398 1.00 0.00 C ATOM 68 CD GLU A 3 12.727 6.104 5.599 1.00 0.00 C ATOM 69 OE1 GLU A 3 12.570 7.253 6.064 1.00 0.00 O ATOM 70 OE2 GLU A 3 13.533 5.277 6.075 1.00 0.00 O ATOM 0 H GLU A 3 9.411 6.589 1.867 1.00 0.00 H new ATOM 0 HA GLU A 3 11.504 6.862 1.150 1.00 0.00 H new ATOM 0 HB2 GLU A 3 13.212 6.648 3.006 1.00 0.00 H new ATOM 0 HB3 GLU A 3 11.793 7.590 3.416 1.00 0.00 H new ATOM 0 HG2 GLU A 3 10.842 5.724 4.662 1.00 0.00 H new ATOM 0 HG3 GLU A 3 12.132 4.661 4.137 1.00 0.00 H new ATOM 77 N GLY A 4 11.883 4.504 0.129 1.00 0.00 N ATOM 78 CA GLY A 4 12.520 3.349 -0.476 1.00 0.00 C ATOM 79 C GLY A 4 11.560 2.209 -0.747 1.00 0.00 C ATOM 80 O GLY A 4 10.732 1.866 0.097 1.00 0.00 O ATOM 0 H GLY A 4 11.232 5.002 -0.478 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.989 3.650 -1.413 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.316 2.996 0.180 1.00 0.00 H new ATOM 84 N LYS A 5 11.684 1.615 -1.932 1.00 0.00 N ATOM 85 CA LYS A 5 10.838 0.494 -2.333 1.00 0.00 C ATOM 86 C LYS A 5 11.015 0.199 -3.822 1.00 0.00 C ATOM 87 O LYS A 5 11.985 0.643 -4.436 1.00 0.00 O ATOM 88 CB LYS A 5 9.365 0.776 -2.006 1.00 0.00 C ATOM 89 CG LYS A 5 8.807 -0.111 -0.901 1.00 0.00 C ATOM 90 CD LYS A 5 9.151 -1.577 -1.127 1.00 0.00 C ATOM 91 CE LYS A 5 8.251 -2.497 -0.321 1.00 0.00 C ATOM 92 NZ LYS A 5 8.887 -3.823 -0.088 1.00 0.00 N ATOM 0 H LYS A 5 12.368 1.894 -2.636 1.00 0.00 H new ATOM 0 HA LYS A 5 11.145 -0.386 -1.768 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.260 1.820 -1.711 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.768 0.638 -2.908 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.205 0.212 0.061 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.724 0.005 -0.853 1.00 0.00 H new ATOM 0 HD2 LYS A 5 9.057 -1.813 -2.187 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.191 -1.753 -0.852 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.019 -2.031 0.637 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.306 -2.634 -0.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.462 -4.269 0.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.736 -4.431 -0.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.907 -3.696 0.067 1.00 0.00 H new ATOM 106 N THR A 6 10.084 -0.556 -4.397 1.00 0.00 N ATOM 107 CA THR A 6 10.160 -0.906 -5.813 1.00 0.00 C ATOM 108 C THR A 6 9.329 0.049 -6.666 1.00 0.00 C ATOM 109 O THR A 6 9.833 0.629 -7.628 1.00 0.00 O ATOM 110 CB THR A 6 9.708 -2.355 -6.041 1.00 0.00 C ATOM 111 OG1 THR A 6 9.358 -2.562 -7.398 1.00 0.00 O ATOM 112 CG2 THR A 6 8.521 -2.770 -5.196 1.00 0.00 C ATOM 0 H THR A 6 9.273 -0.936 -3.909 1.00 0.00 H new ATOM 0 HA THR A 6 11.202 -0.814 -6.120 1.00 0.00 H new ATOM 0 HB THR A 6 10.563 -2.964 -5.749 1.00 0.00 H new ATOM 0 HG1 THR A 6 9.074 -3.491 -7.524 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.263 -3.806 -5.415 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.775 -2.675 -4.140 1.00 0.00 H new ATOM 0 HG23 THR A 6 7.670 -2.128 -5.424 1.00 0.00 H new ATOM 120 N CYS A 7 8.057 0.211 -6.314 1.00 0.00 N ATOM 121 CA CYS A 7 7.169 1.100 -7.059 1.00 0.00 C ATOM 122 C CYS A 7 7.111 0.696 -8.531 1.00 0.00 C ATOM 123 O CYS A 7 7.529 1.452 -9.409 1.00 0.00 O ATOM 124 CB CYS A 7 7.642 2.553 -6.937 1.00 0.00 C ATOM 125 SG CYS A 7 8.433 2.952 -5.344 1.00 0.00 S ATOM 0 H CYS A 7 7.619 -0.259 -5.522 1.00 0.00 H new ATOM 0 HA CYS A 7 6.169 1.015 -6.633 1.00 0.00 H new ATOM 0 HB2 CYS A 7 8.347 2.762 -7.742 1.00 0.00 H new ATOM 0 HB3 CYS A 7 6.788 3.214 -7.081 1.00 0.00 H new ATOM 130 N GLY A 8 6.600 -0.504 -8.797 1.00 0.00 N ATOM 131 CA GLY A 8 6.512 -0.981 -10.166 1.00 0.00 C ATOM 132 C GLY A 8 5.170 -1.613 -10.491 1.00 0.00 C ATOM 133 O GLY A 8 4.278 -0.943 -11.010 1.00 0.00 O ATOM 0 H GLY A 8 6.247 -1.151 -8.092 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.689 -0.148 -10.847 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.303 -1.710 -10.342 1.00 0.00 H new ATOM 137 N PRO A 9 4.998 -2.915 -10.201 1.00 0.00 N ATOM 138 CA PRO A 9 3.745 -3.625 -10.479 1.00 0.00 C ATOM 139 C PRO A 9 2.604 -3.158 -9.574 1.00 0.00 C ATOM 140 O PRO A 9 1.893 -2.210 -9.908 1.00 0.00 O ATOM 141 CB PRO A 9 4.102 -5.094 -10.224 1.00 0.00 C ATOM 142 CG PRO A 9 5.248 -5.051 -9.271 1.00 0.00 C ATOM 143 CD PRO A 9 6.011 -3.792 -9.584 1.00 0.00 C ATOM 0 HA PRO A 9 3.381 -3.445 -11.490 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.257 -5.638 -9.802 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.377 -5.600 -11.149 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.896 -5.046 -8.239 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.883 -5.929 -9.387 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.433 -3.345 -8.684 1.00 0.00 H new ATOM 0 HD3 PRO A 9 6.841 -3.985 -10.263 1.00 0.00 H new ATOM 151 N SER A 10 2.434 -3.809 -8.424 1.00 0.00 N ATOM 152 CA SER A 10 1.386 -3.431 -7.487 1.00 0.00 C ATOM 153 C SER A 10 1.848 -2.253 -6.640 1.00 0.00 C ATOM 154 O SER A 10 2.105 -2.394 -5.444 1.00 0.00 O ATOM 155 CB SER A 10 1.017 -4.614 -6.590 1.00 0.00 C ATOM 156 OG SER A 10 1.048 -5.832 -7.313 1.00 0.00 O ATOM 0 H SER A 10 3.008 -4.597 -8.123 1.00 0.00 H new ATOM 0 HA SER A 10 0.501 -3.138 -8.052 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.710 -4.668 -5.751 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.022 -4.461 -6.172 1.00 0.00 H new ATOM 0 HG SER A 10 0.659 -6.547 -6.767 1.00 0.00 H new ATOM 162 N SER A 11 1.972 -1.093 -7.276 1.00 0.00 N ATOM 163 CA SER A 11 2.424 0.107 -6.590 1.00 0.00 C ATOM 164 C SER A 11 1.476 1.275 -6.810 1.00 0.00 C ATOM 165 O SER A 11 0.756 1.334 -7.807 1.00 0.00 O ATOM 166 CB SER A 11 3.820 0.497 -7.078 1.00 0.00 C ATOM 167 OG SER A 11 3.755 1.184 -8.316 1.00 0.00 O ATOM 0 H SER A 11 1.765 -0.961 -8.266 1.00 0.00 H new ATOM 0 HA SER A 11 2.449 -0.119 -5.524 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.306 1.128 -6.334 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.433 -0.397 -7.187 1.00 0.00 H new ATOM 0 HG SER A 11 4.581 1.694 -8.451 1.00 0.00 H new ATOM 173 N PHE A 12 1.505 2.213 -5.875 1.00 0.00 N ATOM 174 CA PHE A 12 0.679 3.406 -5.951 1.00 0.00 C ATOM 175 C PHE A 12 1.499 4.628 -5.558 1.00 0.00 C ATOM 176 O PHE A 12 1.765 4.850 -4.380 1.00 0.00 O ATOM 177 CB PHE A 12 -0.543 3.282 -5.038 1.00 0.00 C ATOM 178 CG PHE A 12 -1.339 4.552 -4.944 1.00 0.00 C ATOM 179 CD1 PHE A 12 -1.880 5.128 -6.082 1.00 0.00 C ATOM 180 CD2 PHE A 12 -1.536 5.175 -3.722 1.00 0.00 C ATOM 181 CE1 PHE A 12 -2.605 6.301 -6.003 1.00 0.00 C ATOM 182 CE2 PHE A 12 -2.261 6.348 -3.638 1.00 0.00 C ATOM 183 CZ PHE A 12 -2.796 6.912 -4.780 1.00 0.00 C ATOM 0 H PHE A 12 2.099 2.168 -5.047 1.00 0.00 H new ATOM 0 HA PHE A 12 0.330 3.519 -6.977 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.186 2.484 -5.408 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.215 2.991 -4.040 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.733 4.655 -7.042 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.119 4.739 -2.826 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.022 6.740 -6.897 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.409 6.824 -2.680 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.363 7.829 -4.716 1.00 0.00 H new ATOM 193 N SER A 13 1.900 5.416 -6.545 1.00 0.00 N ATOM 194 CA SER A 13 2.691 6.609 -6.278 1.00 0.00 C ATOM 195 C SER A 13 1.889 7.595 -5.433 1.00 0.00 C ATOM 196 O SER A 13 0.911 8.176 -5.902 1.00 0.00 O ATOM 197 CB SER A 13 3.139 7.256 -7.589 1.00 0.00 C ATOM 198 OG SER A 13 4.523 7.049 -7.811 1.00 0.00 O ATOM 0 H SER A 13 1.693 5.253 -7.530 1.00 0.00 H new ATOM 0 HA SER A 13 3.582 6.322 -5.719 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.568 6.839 -8.418 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.927 8.325 -7.562 1.00 0.00 H new ATOM 0 HG SER A 13 4.785 7.470 -8.656 1.00 0.00 H new ATOM 204 N CYS A 14 2.300 7.764 -4.176 1.00 0.00 N ATOM 205 CA CYS A 14 1.609 8.664 -3.255 1.00 0.00 C ATOM 206 C CYS A 14 1.308 10.012 -3.912 1.00 0.00 C ATOM 207 O CYS A 14 2.216 10.783 -4.217 1.00 0.00 O ATOM 208 CB CYS A 14 2.438 8.867 -1.984 1.00 0.00 C ATOM 209 SG CYS A 14 1.997 7.748 -0.612 1.00 0.00 S ATOM 0 H CYS A 14 3.108 7.289 -3.773 1.00 0.00 H new ATOM 0 HA CYS A 14 0.659 8.201 -2.988 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.492 8.728 -2.226 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.321 9.897 -1.649 1.00 0.00 H new ATOM 214 N PRO A 15 0.016 10.307 -4.140 1.00 0.00 N ATOM 215 CA PRO A 15 -0.420 11.561 -4.766 1.00 0.00 C ATOM 216 C PRO A 15 0.120 12.795 -4.052 1.00 0.00 C ATOM 217 O PRO A 15 0.079 12.884 -2.825 1.00 0.00 O ATOM 218 CB PRO A 15 -1.945 11.507 -4.647 1.00 0.00 C ATOM 219 CG PRO A 15 -2.267 10.058 -4.552 1.00 0.00 C ATOM 220 CD PRO A 15 -1.123 9.435 -3.805 1.00 0.00 C ATOM 0 HA PRO A 15 -0.057 11.645 -5.790 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.293 12.048 -3.767 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.426 11.963 -5.512 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.209 9.900 -4.027 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.375 9.615 -5.542 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.309 9.411 -2.731 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.949 8.407 -4.121 1.00 0.00 H new ATOM 228 N GLY A 16 0.619 13.750 -4.832 1.00 0.00 N ATOM 229 CA GLY A 16 1.154 14.973 -4.261 1.00 0.00 C ATOM 230 C GLY A 16 2.580 14.824 -3.760 1.00 0.00 C ATOM 231 O GLY A 16 3.209 15.808 -3.371 1.00 0.00 O ATOM 0 H GLY A 16 0.662 13.698 -5.850 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.120 15.762 -5.012 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.517 15.290 -3.436 1.00 0.00 H new ATOM 235 N THR A 17 3.093 13.597 -3.762 1.00 0.00 N ATOM 236 CA THR A 17 4.449 13.339 -3.297 1.00 0.00 C ATOM 237 C THR A 17 5.159 12.337 -4.200 1.00 0.00 C ATOM 238 O THR A 17 4.576 11.336 -4.615 1.00 0.00 O ATOM 239 CB THR A 17 4.420 12.813 -1.861 1.00 0.00 C ATOM 240 OG1 THR A 17 3.509 11.734 -1.736 1.00 0.00 O ATOM 241 CG2 THR A 17 4.021 13.865 -0.850 1.00 0.00 C ATOM 0 H THR A 17 2.590 12.768 -4.080 1.00 0.00 H new ATOM 0 HA THR A 17 5.001 14.278 -3.328 1.00 0.00 H new ATOM 0 HB THR A 17 5.441 12.493 -1.651 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.206 11.457 -2.626 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.020 13.428 0.149 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.732 14.690 -0.884 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.023 14.236 -1.085 1.00 0.00 H new ATOM 249 N HIS A 18 6.426 12.609 -4.492 1.00 0.00 N ATOM 250 CA HIS A 18 7.225 11.727 -5.336 1.00 0.00 C ATOM 251 C HIS A 18 7.268 10.314 -4.760 1.00 0.00 C ATOM 252 O HIS A 18 7.536 9.348 -5.474 1.00 0.00 O ATOM 253 CB HIS A 18 8.646 12.275 -5.472 1.00 0.00 C ATOM 254 CG HIS A 18 9.283 12.606 -4.158 1.00 0.00 C ATOM 255 ND1 HIS A 18 10.114 11.751 -3.470 1.00 0.00 N ATOM 256 CD2 HIS A 18 9.192 13.730 -3.402 1.00 0.00 C ATOM 257 CE1 HIS A 18 10.493 12.366 -2.341 1.00 0.00 C ATOM 258 NE2 HIS A 18 9.961 13.570 -2.252 1.00 0.00 N ATOM 0 H HIS A 18 6.923 13.434 -4.156 1.00 0.00 H new ATOM 0 HA HIS A 18 6.759 11.685 -6.321 1.00 0.00 H new ATOM 0 HB2 HIS A 18 9.262 11.541 -5.992 1.00 0.00 H new ATOM 0 HB3 HIS A 18 8.624 13.171 -6.093 1.00 0.00 H new ATOM 0 HD2 HIS A 18 8.615 14.608 -3.652 1.00 0.00 H new ATOM 0 HE1 HIS A 18 11.149 11.932 -1.600 1.00 0.00 H new ATOM 0 HE2 HIS A 18 10.087 14.244 -1.497 1.00 0.00 H new ATOM 266 N VAL A 19 7.003 10.206 -3.462 1.00 0.00 N ATOM 267 CA VAL A 19 7.011 8.922 -2.779 1.00 0.00 C ATOM 268 C VAL A 19 6.006 7.956 -3.402 1.00 0.00 C ATOM 269 O VAL A 19 4.941 8.364 -3.866 1.00 0.00 O ATOM 270 CB VAL A 19 6.695 9.101 -1.281 1.00 0.00 C ATOM 271 CG1 VAL A 19 5.355 9.797 -1.094 1.00 0.00 C ATOM 272 CG2 VAL A 19 6.718 7.764 -0.558 1.00 0.00 C ATOM 0 H VAL A 19 6.779 10.999 -2.861 1.00 0.00 H new ATOM 0 HA VAL A 19 8.010 8.501 -2.887 1.00 0.00 H new ATOM 0 HB VAL A 19 7.469 9.732 -0.844 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.151 9.914 -0.030 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.386 10.778 -1.567 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.567 9.198 -1.551 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.492 7.917 0.497 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.972 7.101 -0.996 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.706 7.314 -0.656 1.00 0.00 H new ATOM 282 N CYS A 20 6.356 6.674 -3.407 1.00 0.00 N ATOM 283 CA CYS A 20 5.492 5.640 -3.970 1.00 0.00 C ATOM 284 C CYS A 20 5.134 4.604 -2.910 1.00 0.00 C ATOM 285 O CYS A 20 6.009 4.083 -2.218 1.00 0.00 O ATOM 286 CB CYS A 20 6.170 4.963 -5.167 1.00 0.00 C ATOM 287 SG CYS A 20 7.991 4.912 -5.070 1.00 0.00 S ATOM 0 H CYS A 20 7.235 6.324 -3.026 1.00 0.00 H new ATOM 0 HA CYS A 20 4.573 6.115 -4.315 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.794 3.944 -5.254 1.00 0.00 H new ATOM 0 HB3 CYS A 20 5.881 5.488 -6.078 1.00 0.00 H new ATOM 292 N VAL A 21 3.841 4.319 -2.776 1.00 0.00 N ATOM 293 CA VAL A 21 3.376 3.355 -1.786 1.00 0.00 C ATOM 294 C VAL A 21 2.847 2.075 -2.436 1.00 0.00 C ATOM 295 O VAL A 21 2.017 2.123 -3.343 1.00 0.00 O ATOM 296 CB VAL A 21 2.278 3.957 -0.886 1.00 0.00 C ATOM 297 CG1 VAL A 21 1.083 4.407 -1.710 1.00 0.00 C ATOM 298 CG2 VAL A 21 1.864 2.959 0.184 1.00 0.00 C ATOM 0 H VAL A 21 3.101 4.740 -3.338 1.00 0.00 H new ATOM 0 HA VAL A 21 4.243 3.103 -1.175 1.00 0.00 H new ATOM 0 HB VAL A 21 2.685 4.838 -0.390 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.324 4.827 -1.050 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.400 5.164 -2.427 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.667 3.553 -2.244 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.088 3.399 0.811 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.479 2.056 -0.290 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.728 2.706 0.799 1.00 0.00 H new ATOM 308 N PRO A 22 3.325 0.906 -1.968 1.00 0.00 N ATOM 309 CA PRO A 22 2.902 -0.400 -2.494 1.00 0.00 C ATOM 310 C PRO A 22 1.394 -0.613 -2.394 1.00 0.00 C ATOM 311 O PRO A 22 0.732 -0.037 -1.530 1.00 0.00 O ATOM 312 CB PRO A 22 3.628 -1.405 -1.594 1.00 0.00 C ATOM 313 CG PRO A 22 4.779 -0.654 -1.026 1.00 0.00 C ATOM 314 CD PRO A 22 4.318 0.765 -0.887 1.00 0.00 C ATOM 0 HA PRO A 22 3.139 -0.497 -3.553 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.972 -1.775 -0.807 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.965 -2.272 -2.162 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.075 -1.065 -0.061 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.649 -0.719 -1.680 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.876 0.950 0.092 1.00 0.00 H new ATOM 0 HD3 PRO A 22 5.142 1.469 -1.003 1.00 0.00 H new ATOM 322 N GLU A 23 0.859 -1.447 -3.281 1.00 0.00 N ATOM 323 CA GLU A 23 -0.571 -1.739 -3.289 1.00 0.00 C ATOM 324 C GLU A 23 -1.008 -2.407 -1.987 1.00 0.00 C ATOM 325 O GLU A 23 -2.126 -2.200 -1.522 1.00 0.00 O ATOM 326 CB GLU A 23 -0.931 -2.627 -4.481 1.00 0.00 C ATOM 327 CG GLU A 23 -2.170 -2.162 -5.227 1.00 0.00 C ATOM 328 CD GLU A 23 -2.312 -2.815 -6.588 1.00 0.00 C ATOM 329 OE1 GLU A 23 -1.593 -2.402 -7.522 1.00 0.00 O ATOM 330 OE2 GLU A 23 -3.143 -3.738 -6.719 1.00 0.00 O ATOM 0 H GLU A 23 1.393 -1.932 -4.002 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.102 -0.791 -3.380 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.089 -2.654 -5.172 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.088 -3.647 -4.130 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.054 -2.383 -4.629 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.130 -1.080 -5.350 1.00 0.00 H new ATOM 337 N ARG A 24 -0.127 -3.206 -1.393 1.00 0.00 N ATOM 338 CA ARG A 24 -0.452 -3.879 -0.141 1.00 0.00 C ATOM 339 C ARG A 24 -0.572 -2.858 0.987 1.00 0.00 C ATOM 340 O ARG A 24 -1.316 -3.056 1.947 1.00 0.00 O ATOM 341 CB ARG A 24 0.610 -4.939 0.199 1.00 0.00 C ATOM 342 CG ARG A 24 0.791 -5.198 1.690 1.00 0.00 C ATOM 343 CD ARG A 24 -0.448 -5.826 2.305 1.00 0.00 C ATOM 344 NE ARG A 24 -0.221 -6.239 3.689 1.00 0.00 N ATOM 345 CZ ARG A 24 -1.122 -6.120 4.663 1.00 0.00 C ATOM 346 NH1 ARG A 24 -2.327 -5.620 4.412 1.00 0.00 N ATOM 347 NH2 ARG A 24 -0.819 -6.506 5.894 1.00 0.00 N ATOM 0 H ARG A 24 0.807 -3.402 -1.753 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.410 -4.386 -0.257 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.340 -5.875 -0.289 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.566 -4.625 -0.221 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.647 -5.855 1.844 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.014 -4.260 2.198 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.272 -5.113 2.269 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.749 -6.690 1.713 1.00 0.00 H new ATOM 0 HE ARG A 24 0.685 -6.644 3.924 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.569 -5.323 3.467 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.010 -5.533 5.165 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.103 -6.894 6.095 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.508 -6.416 6.641 1.00 0.00 H new ATOM 361 N TRP A 25 0.165 -1.763 0.863 1.00 0.00 N ATOM 362 CA TRP A 25 0.141 -0.716 1.871 1.00 0.00 C ATOM 363 C TRP A 25 -1.119 0.134 1.737 1.00 0.00 C ATOM 364 O TRP A 25 -1.541 0.782 2.695 1.00 0.00 O ATOM 365 CB TRP A 25 1.396 0.157 1.756 1.00 0.00 C ATOM 366 CG TRP A 25 2.672 -0.608 1.972 1.00 0.00 C ATOM 367 CD1 TRP A 25 2.834 -1.963 1.911 1.00 0.00 C ATOM 368 CD2 TRP A 25 3.965 -0.065 2.278 1.00 0.00 C ATOM 369 NE1 TRP A 25 4.143 -2.295 2.155 1.00 0.00 N ATOM 370 CE2 TRP A 25 4.858 -1.150 2.381 1.00 0.00 C ATOM 371 CE3 TRP A 25 4.457 1.230 2.471 1.00 0.00 C ATOM 372 CZ2 TRP A 25 6.210 -0.980 2.666 1.00 0.00 C ATOM 373 CZ3 TRP A 25 5.801 1.396 2.756 1.00 0.00 C ATOM 374 CH2 TRP A 25 6.663 0.296 2.849 1.00 0.00 C ATOM 0 H TRP A 25 0.786 -1.578 0.075 1.00 0.00 H new ATOM 0 HA TRP A 25 0.130 -1.183 2.856 1.00 0.00 H new ATOM 0 HB2 TRP A 25 1.420 0.619 0.769 1.00 0.00 H new ATOM 0 HB3 TRP A 25 1.337 0.965 2.485 1.00 0.00 H new ATOM 0 HD1 TRP A 25 2.046 -2.671 1.701 1.00 0.00 H new ATOM 0 HE1 TRP A 25 4.522 -3.242 2.166 1.00 0.00 H new ATOM 0 HE3 TRP A 25 3.800 2.084 2.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 6.877 -1.826 2.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 6.192 2.391 2.909 1.00 0.00 H new ATOM 0 HH2 TRP A 25 7.707 0.460 3.070 1.00 0.00 H new ATOM 385 N LEU A 26 -1.723 0.119 0.544 1.00 0.00 N ATOM 386 CA LEU A 26 -2.942 0.884 0.279 1.00 0.00 C ATOM 387 C LEU A 26 -3.911 0.812 1.457 1.00 0.00 C ATOM 388 O LEU A 26 -4.105 1.791 2.176 1.00 0.00 O ATOM 389 CB LEU A 26 -3.626 0.364 -0.990 1.00 0.00 C ATOM 390 CG LEU A 26 -3.681 1.330 -2.181 1.00 0.00 C ATOM 391 CD1 LEU A 26 -2.404 2.145 -2.297 1.00 0.00 C ATOM 392 CD2 LEU A 26 -3.919 0.558 -3.464 1.00 0.00 C ATOM 0 H LEU A 26 -1.384 -0.417 -0.255 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.658 1.927 0.136 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.111 -0.542 -1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.646 0.078 -0.735 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.507 2.021 -2.013 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.478 2.818 -3.151 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.260 2.728 -1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.556 1.475 -2.436 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.957 1.251 -4.304 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.107 -0.153 -3.617 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.864 0.020 -3.395 1.00 0.00 H new ATOM 404 N CYS A 27 -4.514 -0.355 1.648 1.00 0.00 N ATOM 405 CA CYS A 27 -5.461 -0.555 2.738 1.00 0.00 C ATOM 406 C CYS A 27 -4.873 -1.463 3.812 1.00 0.00 C ATOM 407 O CYS A 27 -5.531 -2.388 4.289 1.00 0.00 O ATOM 408 CB CYS A 27 -6.761 -1.150 2.204 1.00 0.00 C ATOM 409 SG CYS A 27 -7.945 0.095 1.607 1.00 0.00 S ATOM 0 H CYS A 27 -4.364 -1.177 1.063 1.00 0.00 H new ATOM 0 HA CYS A 27 -5.671 0.415 3.188 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -6.528 -1.837 1.390 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.232 -1.738 2.992 1.00 0.00 H new ATOM 414 N ASP A 28 -3.630 -1.188 4.193 1.00 0.00 N ATOM 415 CA ASP A 28 -2.953 -1.976 5.214 1.00 0.00 C ATOM 416 C ASP A 28 -3.509 -1.671 6.604 1.00 0.00 C ATOM 417 O ASP A 28 -3.182 -2.353 7.575 1.00 0.00 O ATOM 418 CB ASP A 28 -1.449 -1.701 5.181 1.00 0.00 C ATOM 419 CG ASP A 28 -1.112 -0.268 5.545 1.00 0.00 C ATOM 420 OD1 ASP A 28 -2.018 0.589 5.487 1.00 0.00 O ATOM 421 OD2 ASP A 28 0.060 -0.003 5.888 1.00 0.00 O ATOM 0 H ASP A 28 -3.072 -0.425 3.810 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.130 -3.030 5.000 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.944 -2.376 5.872 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.065 -1.919 4.185 1.00 0.00 H new ATOM 426 N GLY A 29 -4.353 -0.645 6.694 1.00 0.00 N ATOM 427 CA GLY A 29 -4.936 -0.276 7.969 1.00 0.00 C ATOM 428 C GLY A 29 -4.514 1.106 8.435 1.00 0.00 C ATOM 429 O GLY A 29 -5.118 1.669 9.348 1.00 0.00 O ATOM 0 H GLY A 29 -4.642 -0.065 5.906 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.023 -0.311 7.889 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.648 -1.011 8.721 1.00 0.00 H new ATOM 433 N ASP A 30 -3.477 1.656 7.809 1.00 0.00 N ATOM 434 CA ASP A 30 -2.981 2.980 8.169 1.00 0.00 C ATOM 435 C ASP A 30 -2.720 3.818 6.922 1.00 0.00 C ATOM 436 O ASP A 30 -2.767 3.309 5.802 1.00 0.00 O ATOM 437 CB ASP A 30 -1.697 2.860 8.991 1.00 0.00 C ATOM 438 CG ASP A 30 -0.669 1.962 8.330 1.00 0.00 C ATOM 439 OD1 ASP A 30 -0.694 0.741 8.588 1.00 0.00 O ATOM 440 OD2 ASP A 30 0.160 2.481 7.553 1.00 0.00 O ATOM 0 H ASP A 30 -2.965 1.205 7.051 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.744 3.476 8.768 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.269 3.852 9.137 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.937 2.467 9.979 1.00 0.00 H new ATOM 445 N LYS A 31 -2.444 5.105 7.119 1.00 0.00 N ATOM 446 CA LYS A 31 -2.176 6.000 5.999 1.00 0.00 C ATOM 447 C LYS A 31 -0.681 6.214 5.809 1.00 0.00 C ATOM 448 O LYS A 31 -0.013 6.801 6.661 1.00 0.00 O ATOM 449 CB LYS A 31 -2.878 7.346 6.195 1.00 0.00 C ATOM 450 CG LYS A 31 -4.393 7.251 6.141 1.00 0.00 C ATOM 451 CD LYS A 31 -5.049 8.538 6.612 1.00 0.00 C ATOM 452 CE LYS A 31 -6.372 8.781 5.905 1.00 0.00 C ATOM 453 NZ LYS A 31 -7.464 9.106 6.863 1.00 0.00 N ATOM 0 H LYS A 31 -2.400 5.548 8.037 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.572 5.527 5.101 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.582 7.765 7.157 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.537 8.040 5.427 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.709 7.033 5.121 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.729 6.421 6.763 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.214 8.490 7.688 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.378 9.377 6.429 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.258 9.599 5.194 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.645 7.895 5.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.349 9.264 6.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.591 8.315 7.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.216 9.966 7.393 1.00 0.00 H new ATOM 467 N ASP A 32 -0.163 5.738 4.681 1.00 0.00 N ATOM 468 CA ASP A 32 1.255 5.883 4.376 1.00 0.00 C ATOM 469 C ASP A 32 1.514 7.190 3.637 1.00 0.00 C ATOM 470 O ASP A 32 2.562 7.811 3.806 1.00 0.00 O ATOM 471 CB ASP A 32 1.759 4.703 3.541 1.00 0.00 C ATOM 472 CG ASP A 32 2.412 3.631 4.390 1.00 0.00 C ATOM 473 OD1 ASP A 32 3.093 3.987 5.374 1.00 0.00 O ATOM 474 OD2 ASP A 32 2.245 2.435 4.071 1.00 0.00 O ATOM 0 H ASP A 32 -0.702 5.250 3.966 1.00 0.00 H new ATOM 0 HA ASP A 32 1.799 5.897 5.320 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.925 4.268 2.991 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.475 5.064 2.802 1.00 0.00 H new ATOM 479 N CYS A 33 0.551 7.608 2.821 1.00 0.00 N ATOM 480 CA CYS A 33 0.684 8.846 2.064 1.00 0.00 C ATOM 481 C CYS A 33 0.542 10.054 2.982 1.00 0.00 C ATOM 482 O CYS A 33 0.384 9.911 4.195 1.00 0.00 O ATOM 483 CB CYS A 33 -0.369 8.915 0.954 1.00 0.00 C ATOM 484 SG CYS A 33 -0.029 7.865 -0.502 1.00 0.00 S ATOM 0 H CYS A 33 -0.326 7.110 2.668 1.00 0.00 H new ATOM 0 HA CYS A 33 1.676 8.859 1.612 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.334 8.629 1.372 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.459 9.950 0.623 1.00 0.00 H new ATOM 489 N ALA A 34 0.600 11.242 2.395 1.00 0.00 N ATOM 490 CA ALA A 34 0.478 12.477 3.155 1.00 0.00 C ATOM 491 C ALA A 34 -0.960 12.705 3.608 1.00 0.00 C ATOM 492 O ALA A 34 -1.203 13.235 4.692 1.00 0.00 O ATOM 493 CB ALA A 34 0.961 13.651 2.322 1.00 0.00 C ATOM 0 H ALA A 34 0.731 11.376 1.392 1.00 0.00 H new ATOM 0 HA ALA A 34 1.101 12.392 4.046 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.866 14.571 2.899 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.006 13.499 2.051 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.359 13.727 1.417 1.00 0.00 H new ATOM 499 N ASP A 35 -1.910 12.306 2.768 1.00 0.00 N ATOM 500 CA ASP A 35 -3.324 12.471 3.082 1.00 0.00 C ATOM 501 C ASP A 35 -4.070 11.143 2.985 1.00 0.00 C ATOM 502 O ASP A 35 -5.238 11.104 2.598 1.00 0.00 O ATOM 503 CB ASP A 35 -3.959 13.495 2.139 1.00 0.00 C ATOM 504 CG ASP A 35 -3.896 14.905 2.691 1.00 0.00 C ATOM 505 OD1 ASP A 35 -2.924 15.218 3.411 1.00 0.00 O ATOM 506 OD2 ASP A 35 -4.818 15.697 2.404 1.00 0.00 O ATOM 0 H ASP A 35 -1.726 11.867 1.866 1.00 0.00 H new ATOM 0 HA ASP A 35 -3.400 12.831 4.108 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.451 13.462 1.175 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.999 13.224 1.960 1.00 0.00 H new ATOM 511 N GLY A 36 -3.391 10.058 3.342 1.00 0.00 N ATOM 512 CA GLY A 36 -4.013 8.748 3.290 1.00 0.00 C ATOM 513 C GLY A 36 -4.449 8.357 1.891 1.00 0.00 C ATOM 514 O GLY A 36 -5.314 7.497 1.724 1.00 0.00 O ATOM 0 H GLY A 36 -2.424 10.062 3.666 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.312 8.003 3.668 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.879 8.736 3.952 1.00 0.00 H new ATOM 518 N ALA A 37 -3.843 8.977 0.882 1.00 0.00 N ATOM 519 CA ALA A 37 -4.172 8.669 -0.506 1.00 0.00 C ATOM 520 C ALA A 37 -3.959 7.186 -0.786 1.00 0.00 C ATOM 521 O ALA A 37 -4.630 6.595 -1.632 1.00 0.00 O ATOM 522 CB ALA A 37 -3.326 9.509 -1.446 1.00 0.00 C ATOM 0 H ALA A 37 -3.125 9.692 0.999 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.222 8.907 -0.675 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.582 9.269 -2.478 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.517 10.566 -1.261 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.271 9.296 -1.275 1.00 0.00 H new ATOM 528 N ASP A 38 -3.025 6.595 -0.052 1.00 0.00 N ATOM 529 CA ASP A 38 -2.707 5.181 -0.184 1.00 0.00 C ATOM 530 C ASP A 38 -3.908 4.338 0.237 1.00 0.00 C ATOM 531 O ASP A 38 -4.139 3.251 -0.284 1.00 0.00 O ATOM 532 CB ASP A 38 -1.491 4.867 0.694 1.00 0.00 C ATOM 533 CG ASP A 38 -1.023 3.434 0.615 1.00 0.00 C ATOM 534 OD1 ASP A 38 -0.791 2.942 -0.501 1.00 0.00 O ATOM 535 OD2 ASP A 38 -0.866 2.808 1.682 1.00 0.00 O ATOM 0 H ASP A 38 -2.468 7.082 0.650 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.473 4.944 -1.222 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.669 5.522 0.405 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.735 5.101 1.730 1.00 0.00 H new ATOM 540 N GLU A 39 -4.671 4.864 1.185 1.00 0.00 N ATOM 541 CA GLU A 39 -5.853 4.182 1.695 1.00 0.00 C ATOM 542 C GLU A 39 -7.098 4.651 0.953 1.00 0.00 C ATOM 543 O GLU A 39 -8.077 3.915 0.828 1.00 0.00 O ATOM 544 CB GLU A 39 -6.016 4.454 3.195 1.00 0.00 C ATOM 545 CG GLU A 39 -4.789 4.118 4.038 1.00 0.00 C ATOM 546 CD GLU A 39 -3.477 4.472 3.372 1.00 0.00 C ATOM 547 OE1 GLU A 39 -3.252 5.673 3.110 1.00 0.00 O ATOM 548 OE2 GLU A 39 -2.675 3.553 3.115 1.00 0.00 O ATOM 0 H GLU A 39 -4.490 5.769 1.620 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.727 3.111 1.536 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.260 5.507 3.336 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.864 3.878 3.565 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.857 4.646 4.989 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.795 3.052 4.264 1.00 0.00 H new ATOM 555 N SER A 40 -7.049 5.885 0.468 1.00 0.00 N ATOM 556 CA SER A 40 -8.167 6.467 -0.260 1.00 0.00 C ATOM 557 C SER A 40 -8.433 5.710 -1.551 1.00 0.00 C ATOM 558 O SER A 40 -7.592 4.945 -2.025 1.00 0.00 O ATOM 559 CB SER A 40 -7.893 7.940 -0.566 1.00 0.00 C ATOM 560 OG SER A 40 -7.627 8.667 0.621 1.00 0.00 O ATOM 0 H SER A 40 -6.244 6.503 0.567 1.00 0.00 H new ATOM 0 HA SER A 40 -9.053 6.392 0.370 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.044 8.022 -1.244 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.752 8.374 -1.077 1.00 0.00 H new ATOM 0 HG SER A 40 -6.827 8.303 1.055 1.00 0.00 H new ATOM 566 N ILE A 41 -9.611 5.931 -2.115 1.00 0.00 N ATOM 567 CA ILE A 41 -10.004 5.279 -3.351 1.00 0.00 C ATOM 568 C ILE A 41 -9.103 5.705 -4.506 1.00 0.00 C ATOM 569 O ILE A 41 -8.948 4.979 -5.488 1.00 0.00 O ATOM 570 CB ILE A 41 -11.468 5.597 -3.692 1.00 0.00 C ATOM 571 CG1 ILE A 41 -11.955 4.699 -4.825 1.00 0.00 C ATOM 572 CG2 ILE A 41 -11.624 7.065 -4.055 1.00 0.00 C ATOM 573 CD1 ILE A 41 -12.522 3.383 -4.342 1.00 0.00 C ATOM 0 H ILE A 41 -10.315 6.562 -1.731 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.899 4.204 -3.204 1.00 0.00 H new ATOM 0 HB ILE A 41 -12.082 5.400 -2.813 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -12.718 5.228 -5.396 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -11.126 4.502 -5.505 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -12.667 7.272 -4.294 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -11.315 7.683 -3.212 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -11.002 7.294 -4.920 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -12.850 2.792 -5.197 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.755 2.835 -3.795 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -13.371 3.572 -3.685 1.00 0.00 H new ATOM 585 N ALA A 42 -8.504 6.886 -4.376 1.00 0.00 N ATOM 586 CA ALA A 42 -7.609 7.411 -5.401 1.00 0.00 C ATOM 587 C ALA A 42 -6.554 6.379 -5.788 1.00 0.00 C ATOM 588 O ALA A 42 -6.035 6.392 -6.904 1.00 0.00 O ATOM 589 CB ALA A 42 -6.942 8.684 -4.905 1.00 0.00 C ATOM 0 H ALA A 42 -8.623 7.498 -3.569 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.200 7.639 -6.288 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.275 9.070 -5.676 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.704 9.430 -4.678 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.368 8.467 -4.004 1.00 0.00 H new ATOM 595 N ALA A 43 -6.245 5.486 -4.854 1.00 0.00 N ATOM 596 CA ALA A 43 -5.255 4.443 -5.084 1.00 0.00 C ATOM 597 C ALA A 43 -5.909 3.161 -5.589 1.00 0.00 C ATOM 598 O ALA A 43 -5.252 2.316 -6.197 1.00 0.00 O ATOM 599 CB ALA A 43 -4.485 4.167 -3.803 1.00 0.00 C ATOM 0 H ALA A 43 -6.669 5.465 -3.926 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.565 4.794 -5.852 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.747 3.386 -3.983 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.979 5.077 -3.479 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.176 3.840 -3.026 1.00 0.00 H new ATOM 605 N GLY A 44 -7.202 3.018 -5.322 1.00 0.00 N ATOM 606 CA GLY A 44 -7.918 1.832 -5.743 1.00 0.00 C ATOM 607 C GLY A 44 -8.196 0.907 -4.580 1.00 0.00 C ATOM 608 O GLY A 44 -8.155 -0.316 -4.719 1.00 0.00 O ATOM 0 H GLY A 44 -7.766 3.704 -4.821 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.859 2.121 -6.211 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.336 1.304 -6.498 1.00 0.00 H new ATOM 612 N CYS A 45 -8.473 1.501 -3.426 1.00 0.00 N ATOM 613 CA CYS A 45 -8.755 0.742 -2.217 1.00 0.00 C ATOM 614 C CYS A 45 -10.222 0.310 -2.158 1.00 0.00 C ATOM 615 O CYS A 45 -10.670 -0.253 -1.159 1.00 0.00 O ATOM 616 CB CYS A 45 -8.399 1.578 -0.986 1.00 0.00 C ATOM 617 SG CYS A 45 -7.024 0.904 -0.005 1.00 0.00 S ATOM 0 H CYS A 45 -8.508 2.513 -3.303 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.144 -0.160 -2.231 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -8.142 2.587 -1.307 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -9.280 1.661 -0.349 1.00 0.00 H new ATOM 622 N LEU A 46 -10.965 0.573 -3.232 1.00 0.00 N ATOM 623 CA LEU A 46 -12.376 0.207 -3.297 1.00 0.00 C ATOM 624 C LEU A 46 -13.191 0.940 -2.233 1.00 0.00 C ATOM 625 O LEU A 46 -14.331 0.571 -1.953 1.00 0.00 O ATOM 626 CB LEU A 46 -12.542 -1.307 -3.131 1.00 0.00 C ATOM 627 CG LEU A 46 -11.607 -2.175 -3.985 1.00 0.00 C ATOM 628 CD1 LEU A 46 -11.343 -1.529 -5.339 1.00 0.00 C ATOM 629 CD2 LEU A 46 -10.300 -2.433 -3.251 1.00 0.00 C ATOM 0 H LEU A 46 -10.612 1.038 -4.068 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.751 0.504 -4.276 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.385 -1.559 -2.082 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -13.572 -1.570 -3.371 1.00 0.00 H new ATOM 0 HG LEU A 46 -12.101 -3.131 -4.160 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.678 -2.166 -5.922 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.285 -1.404 -5.872 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.877 -0.555 -5.193 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.650 -3.050 -3.871 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.807 -1.484 -3.041 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.505 -2.951 -2.314 1.00 0.00 H new ATOM 641 N TYR A 47 -12.601 1.982 -1.649 1.00 0.00 N ATOM 642 CA TYR A 47 -13.266 2.774 -0.618 1.00 0.00 C ATOM 643 C TYR A 47 -12.288 3.777 -0.014 1.00 0.00 C ATOM 644 O TYR A 47 -11.200 3.991 -0.548 1.00 0.00 O ATOM 645 CB TYR A 47 -13.833 1.869 0.481 1.00 0.00 C ATOM 646 CG TYR A 47 -12.797 0.985 1.135 1.00 0.00 C ATOM 647 CD1 TYR A 47 -11.838 1.518 1.987 1.00 0.00 C ATOM 648 CD2 TYR A 47 -12.781 -0.384 0.903 1.00 0.00 C ATOM 649 CE1 TYR A 47 -10.894 0.713 2.591 1.00 0.00 C ATOM 650 CE2 TYR A 47 -11.839 -1.197 1.502 1.00 0.00 C ATOM 651 CZ TYR A 47 -10.899 -0.645 2.346 1.00 0.00 C ATOM 652 OH TYR A 47 -9.963 -1.455 2.949 1.00 0.00 O ATOM 0 H TYR A 47 -11.658 2.298 -1.875 1.00 0.00 H new ATOM 0 HA TYR A 47 -14.092 3.314 -1.081 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -14.302 2.490 1.244 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -14.616 1.242 0.055 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -11.831 2.581 2.180 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -13.517 -0.820 0.244 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -10.156 1.143 3.251 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -11.839 -2.260 1.310 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.128 -0.956 3.071 1.00 0.00 H new ATOM 662 N ASN A 48 -12.675 4.391 1.099 1.00 0.00 N ATOM 663 CA ASN A 48 -11.819 5.367 1.759 1.00 0.00 C ATOM 664 C ASN A 48 -12.354 5.715 3.147 1.00 0.00 C ATOM 665 O ASN A 48 -11.779 5.319 4.160 1.00 0.00 O ATOM 666 CB ASN A 48 -11.708 6.622 0.892 1.00 0.00 C ATOM 667 CG ASN A 48 -11.011 7.773 1.594 1.00 0.00 C ATOM 668 OD1 ASN A 48 -11.472 8.913 1.547 1.00 0.00 O ATOM 669 ND2 ASN A 48 -9.895 7.479 2.248 1.00 0.00 N ATOM 0 H ASN A 48 -13.571 4.231 1.560 1.00 0.00 H new ATOM 0 HA ASN A 48 -10.827 4.934 1.887 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -11.164 6.378 -0.021 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.707 6.939 0.593 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.383 8.212 2.738 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.549 6.520 2.261 1.00 0.00 H new ATOM 744 N SER A 56 -14.705 -3.518 1.505 1.00 0.00 N ATOM 745 CA SER A 56 -15.279 -3.683 0.174 1.00 0.00 C ATOM 746 C SER A 56 -15.595 -5.150 -0.101 1.00 0.00 C ATOM 747 O SER A 56 -16.610 -5.471 -0.718 1.00 0.00 O ATOM 748 CB SER A 56 -14.321 -3.143 -0.891 1.00 0.00 C ATOM 749 OG SER A 56 -14.807 -1.934 -1.449 1.00 0.00 O ATOM 0 HA SER A 56 -16.209 -3.116 0.132 1.00 0.00 H new ATOM 0 HB2 SER A 56 -13.339 -2.974 -0.449 1.00 0.00 H new ATOM 0 HB3 SER A 56 -14.193 -3.885 -1.679 1.00 0.00 H new ATOM 0 HG SER A 56 -15.248 -1.406 -0.751 1.00 0.00 H new ATOM 755 N GLY A 57 -14.718 -6.035 0.361 1.00 0.00 N ATOM 756 CA GLY A 57 -14.920 -7.457 0.155 1.00 0.00 C ATOM 757 C GLY A 57 -13.636 -8.180 -0.195 1.00 0.00 C ATOM 758 O GLY A 57 -12.543 -7.645 -0.006 1.00 0.00 O ATOM 0 H GLY A 57 -13.871 -5.793 0.875 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.345 -7.895 1.058 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -15.646 -7.606 -0.644 1.00 0.00 H new ATOM 762 N SER A 129 -13.766 -9.400 -0.708 1.00 0.00 N ATOM 763 CA SER A 129 -12.605 -10.197 -1.087 1.00 0.00 C ATOM 764 C SER A 129 -11.738 -9.448 -2.093 1.00 0.00 C ATOM 765 O SER A 129 -10.514 -9.580 -2.093 1.00 0.00 O ATOM 766 CB SER A 129 -13.049 -11.536 -1.678 1.00 0.00 C ATOM 767 OG SER A 129 -13.674 -12.345 -0.696 1.00 0.00 O ATOM 0 H SER A 129 -14.663 -9.857 -0.870 1.00 0.00 H new ATOM 0 HA SER A 129 -12.014 -10.382 -0.190 1.00 0.00 H new ATOM 0 HB2 SER A 129 -13.739 -11.362 -2.503 1.00 0.00 H new ATOM 0 HB3 SER A 129 -12.186 -12.059 -2.089 1.00 0.00 H new ATOM 0 HG SER A 129 -13.950 -13.194 -1.099 1.00 0.00 H new ATOM 773 N THR A 130 -12.381 -8.657 -2.946 1.00 0.00 N ATOM 774 CA THR A 130 -11.668 -7.882 -3.955 1.00 0.00 C ATOM 775 C THR A 130 -10.624 -6.979 -3.307 1.00 0.00 C ATOM 776 O THR A 130 -9.551 -6.752 -3.866 1.00 0.00 O ATOM 777 CB THR A 130 -12.649 -7.039 -4.769 1.00 0.00 C ATOM 778 OG1 THR A 130 -13.755 -7.819 -5.188 1.00 0.00 O ATOM 779 CG2 THR A 130 -12.024 -6.427 -6.003 1.00 0.00 C ATOM 0 H THR A 130 -13.394 -8.536 -2.959 1.00 0.00 H new ATOM 0 HA THR A 130 -11.160 -8.580 -4.621 1.00 0.00 H new ATOM 0 HB THR A 130 -12.965 -6.236 -4.103 1.00 0.00 H new ATOM 0 HG1 THR A 130 -14.372 -7.261 -5.706 1.00 0.00 H new ATOM 0 HG21 THR A 130 -12.772 -5.841 -6.537 1.00 0.00 H new ATOM 0 HG22 THR A 130 -11.198 -5.780 -5.709 1.00 0.00 H new ATOM 0 HG23 THR A 130 -11.651 -7.219 -6.653 1.00 0.00 H new ATOM 787 N GLU A 131 -10.946 -6.471 -2.123 1.00 0.00 N ATOM 788 CA GLU A 131 -10.037 -5.596 -1.392 1.00 0.00 C ATOM 789 C GLU A 131 -8.713 -6.299 -1.117 1.00 0.00 C ATOM 790 O GLU A 131 -7.648 -5.818 -1.505 1.00 0.00 O ATOM 791 CB GLU A 131 -10.673 -5.155 -0.072 1.00 0.00 C ATOM 792 CG GLU A 131 -10.116 -3.848 0.469 1.00 0.00 C ATOM 793 CD GLU A 131 -8.602 -3.844 0.553 1.00 0.00 C ATOM 794 OE1 GLU A 131 -8.037 -4.798 1.129 1.00 0.00 O ATOM 795 OE2 GLU A 131 -7.981 -2.888 0.042 1.00 0.00 O ATOM 0 H GLU A 131 -11.831 -6.650 -1.648 1.00 0.00 H new ATOM 0 HA GLU A 131 -9.843 -4.718 -2.008 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -11.749 -5.050 -0.215 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -10.525 -5.938 0.672 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -10.442 -3.027 -0.170 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -10.531 -3.664 1.460 1.00 0.00 H new ATOM 802 N GLU A 132 -8.788 -7.442 -0.444 1.00 0.00 N ATOM 803 CA GLU A 132 -7.597 -8.215 -0.114 1.00 0.00 C ATOM 804 C GLU A 132 -6.982 -8.830 -1.365 1.00 0.00 C ATOM 805 O GLU A 132 -5.784 -9.096 -1.410 1.00 0.00 O ATOM 806 CB GLU A 132 -7.933 -9.320 0.893 1.00 0.00 C ATOM 807 CG GLU A 132 -9.012 -8.935 1.892 1.00 0.00 C ATOM 808 CD GLU A 132 -8.683 -9.377 3.305 1.00 0.00 C ATOM 809 OE1 GLU A 132 -7.999 -8.616 4.021 1.00 0.00 O ATOM 810 OE2 GLU A 132 -9.111 -10.484 3.696 1.00 0.00 O ATOM 0 H GLU A 132 -9.662 -7.854 -0.116 1.00 0.00 H new ATOM 0 HA GLU A 132 -6.872 -7.534 0.333 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -8.255 -10.208 0.349 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -7.028 -9.590 1.437 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -9.148 -7.854 1.876 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -9.959 -9.380 1.587 1.00 0.00 H new ATOM 817 N LEU A 133 -7.810 -9.059 -2.377 1.00 0.00 N ATOM 818 CA LEU A 133 -7.350 -9.651 -3.630 1.00 0.00 C ATOM 819 C LEU A 133 -6.147 -8.900 -4.199 1.00 0.00 C ATOM 820 O LEU A 133 -5.214 -9.511 -4.720 1.00 0.00 O ATOM 821 CB LEU A 133 -8.490 -9.661 -4.651 1.00 0.00 C ATOM 822 CG LEU A 133 -9.118 -11.031 -4.912 1.00 0.00 C ATOM 823 CD1 LEU A 133 -9.601 -11.656 -3.611 1.00 0.00 C ATOM 824 CD2 LEU A 133 -10.264 -10.907 -5.906 1.00 0.00 C ATOM 0 H LEU A 133 -8.807 -8.843 -2.355 1.00 0.00 H new ATOM 0 HA LEU A 133 -7.037 -10.674 -3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -9.270 -8.981 -4.308 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -8.115 -9.265 -5.595 1.00 0.00 H new ATOM 0 HG LEU A 133 -8.358 -11.684 -5.341 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -10.045 -12.630 -3.818 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -8.758 -11.778 -2.931 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -10.347 -11.008 -3.151 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -10.701 -11.890 -6.082 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -11.025 -10.239 -5.503 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -9.888 -10.504 -6.846 1.00 0.00 H new ATOM 836 N ARG A 134 -6.177 -7.575 -4.104 1.00 0.00 N ATOM 837 CA ARG A 134 -5.091 -6.748 -4.621 1.00 0.00 C ATOM 838 C ARG A 134 -4.055 -6.452 -3.540 1.00 0.00 C ATOM 839 O ARG A 134 -2.855 -6.412 -3.812 1.00 0.00 O ATOM 840 CB ARG A 134 -5.645 -5.437 -5.182 1.00 0.00 C ATOM 841 CG ARG A 134 -6.382 -4.592 -4.151 1.00 0.00 C ATOM 842 CD ARG A 134 -7.051 -3.375 -4.782 1.00 0.00 C ATOM 843 NE ARG A 134 -7.222 -3.513 -6.229 1.00 0.00 N ATOM 844 CZ ARG A 134 -8.186 -4.233 -6.797 1.00 0.00 C ATOM 845 NH1 ARG A 134 -9.068 -4.882 -6.049 1.00 0.00 N ATOM 846 NH2 ARG A 134 -8.268 -4.304 -8.119 1.00 0.00 N ATOM 0 H ARG A 134 -6.940 -7.051 -3.675 1.00 0.00 H new ATOM 0 HA ARG A 134 -4.600 -7.304 -5.420 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -4.823 -4.853 -5.596 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -6.323 -5.662 -6.005 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -7.136 -5.203 -3.654 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -5.681 -4.263 -3.384 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -8.025 -3.219 -4.318 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -6.453 -2.488 -4.574 1.00 0.00 H new ATOM 0 HE ARG A 134 -6.563 -3.028 -6.838 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -9.010 -4.831 -5.032 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -9.805 -5.432 -6.491 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -7.592 -3.807 -8.699 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -9.007 -4.856 -8.555 1.00 0.00 H new ATOM 860 N VAL A 135 -4.525 -6.239 -2.318 1.00 0.00 N ATOM 861 CA VAL A 135 -3.639 -5.937 -1.200 1.00 0.00 C ATOM 862 C VAL A 135 -2.860 -7.176 -0.752 1.00 0.00 C ATOM 863 O VAL A 135 -1.795 -7.062 -0.148 1.00 0.00 O ATOM 864 CB VAL A 135 -4.432 -5.366 -0.006 1.00 0.00 C ATOM 865 CG1 VAL A 135 -3.503 -4.977 1.134 1.00 0.00 C ATOM 866 CG2 VAL A 135 -5.270 -4.174 -0.448 1.00 0.00 C ATOM 0 H VAL A 135 -5.515 -6.270 -2.075 1.00 0.00 H new ATOM 0 HA VAL A 135 -2.928 -5.187 -1.548 1.00 0.00 H new ATOM 0 HB VAL A 135 -5.101 -6.145 0.361 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -4.090 -4.578 1.961 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -2.952 -5.855 1.470 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -2.801 -4.219 0.788 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -5.824 -3.782 0.405 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -4.617 -3.397 -0.844 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -5.971 -4.489 -1.222 1.00 0.00 H new ATOM 876 N ARG A 136 -3.397 -8.356 -1.048 1.00 0.00 N ATOM 877 CA ARG A 136 -2.750 -9.610 -0.668 1.00 0.00 C ATOM 878 C ARG A 136 -1.490 -9.865 -1.490 1.00 0.00 C ATOM 879 O ARG A 136 -0.418 -10.105 -0.938 1.00 0.00 O ATOM 880 CB ARG A 136 -3.713 -10.786 -0.844 1.00 0.00 C ATOM 881 CG ARG A 136 -4.648 -10.994 0.337 1.00 0.00 C ATOM 882 CD ARG A 136 -5.638 -12.121 0.080 1.00 0.00 C ATOM 883 NE ARG A 136 -5.014 -13.269 -0.581 1.00 0.00 N ATOM 884 CZ ARG A 136 -5.175 -14.535 -0.196 1.00 0.00 C ATOM 885 NH1 ARG A 136 -5.947 -14.836 0.842 1.00 0.00 N ATOM 886 NH2 ARG A 136 -4.563 -15.507 -0.859 1.00 0.00 N ATOM 0 H ARG A 136 -4.278 -8.471 -1.549 1.00 0.00 H new ATOM 0 HA ARG A 136 -2.467 -9.521 0.381 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -4.308 -10.625 -1.743 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -3.135 -11.696 -1.003 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -4.063 -11.220 1.229 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -5.192 -10.071 0.538 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -6.073 -12.442 1.026 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -6.456 -11.749 -0.537 1.00 0.00 H new ATOM 0 HE ARG A 136 -4.417 -13.088 -1.388 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -6.425 -14.095 1.354 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -6.062 -15.809 1.127 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -3.972 -15.284 -1.660 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -4.683 -16.477 -0.568 1.00 0.00 H new ATOM 900 N LEU A 137 -1.634 -9.831 -2.811 1.00 0.00 N ATOM 901 CA LEU A 137 -0.516 -10.077 -3.721 1.00 0.00 C ATOM 902 C LEU A 137 0.754 -9.340 -3.292 1.00 0.00 C ATOM 903 O LEU A 137 1.866 -9.814 -3.526 1.00 0.00 O ATOM 904 CB LEU A 137 -0.891 -9.661 -5.143 1.00 0.00 C ATOM 905 CG LEU A 137 -0.012 -10.263 -6.241 1.00 0.00 C ATOM 906 CD1 LEU A 137 1.381 -9.656 -6.199 1.00 0.00 C ATOM 907 CD2 LEU A 137 0.064 -11.776 -6.096 1.00 0.00 C ATOM 0 H LEU A 137 -2.519 -9.634 -3.279 1.00 0.00 H new ATOM 0 HA LEU A 137 -0.308 -11.146 -3.689 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -1.926 -9.946 -5.329 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -0.842 -8.574 -5.213 1.00 0.00 H new ATOM 0 HG LEU A 137 -0.462 -10.032 -7.206 1.00 0.00 H new ATOM 0 HD11 LEU A 137 1.993 -10.095 -6.987 1.00 0.00 H new ATOM 0 HD12 LEU A 137 1.313 -8.579 -6.350 1.00 0.00 H new ATOM 0 HD13 LEU A 137 1.837 -9.858 -5.230 1.00 0.00 H new ATOM 0 HD21 LEU A 137 0.693 -12.186 -6.886 1.00 0.00 H new ATOM 0 HD22 LEU A 137 0.490 -12.027 -5.125 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -0.937 -12.200 -6.173 1.00 0.00 H new ATOM 919 N ALA A 138 0.585 -8.173 -2.685 1.00 0.00 N ATOM 920 CA ALA A 138 1.721 -7.364 -2.253 1.00 0.00 C ATOM 921 C ALA A 138 2.074 -7.573 -0.779 1.00 0.00 C ATOM 922 O ALA A 138 2.987 -6.932 -0.261 1.00 0.00 O ATOM 923 CB ALA A 138 1.428 -5.897 -2.515 1.00 0.00 C ATOM 0 H ALA A 138 -0.327 -7.764 -2.480 1.00 0.00 H new ATOM 0 HA ALA A 138 2.587 -7.686 -2.832 1.00 0.00 H new ATOM 0 HB1 ALA A 138 2.276 -5.293 -2.192 1.00 0.00 H new ATOM 0 HB2 ALA A 138 1.259 -5.745 -3.581 1.00 0.00 H new ATOM 0 HB3 ALA A 138 0.539 -5.599 -1.960 1.00 0.00 H new ATOM 929 N SER A 139 1.342 -8.447 -0.099 1.00 0.00 N ATOM 930 CA SER A 139 1.583 -8.698 1.320 1.00 0.00 C ATOM 931 C SER A 139 2.744 -9.666 1.564 1.00 0.00 C ATOM 932 O SER A 139 3.205 -9.804 2.696 1.00 0.00 O ATOM 933 CB SER A 139 0.314 -9.235 1.979 1.00 0.00 C ATOM 934 OG SER A 139 0.603 -9.861 3.218 1.00 0.00 O ATOM 0 H SER A 139 0.580 -8.992 -0.503 1.00 0.00 H new ATOM 0 HA SER A 139 1.862 -7.744 1.767 1.00 0.00 H new ATOM 0 HB2 SER A 139 -0.390 -8.418 2.137 1.00 0.00 H new ATOM 0 HB3 SER A 139 -0.170 -9.949 1.313 1.00 0.00 H new ATOM 0 HG SER A 139 1.544 -9.711 3.449 1.00 0.00 H new ATOM 940 N HIS A 140 3.214 -10.338 0.518 1.00 0.00 N ATOM 941 CA HIS A 140 4.319 -11.289 0.673 1.00 0.00 C ATOM 942 C HIS A 140 5.664 -10.668 0.301 1.00 0.00 C ATOM 943 O HIS A 140 6.705 -11.308 0.447 1.00 0.00 O ATOM 944 CB HIS A 140 4.090 -12.561 -0.157 1.00 0.00 C ATOM 945 CG HIS A 140 3.015 -12.440 -1.191 1.00 0.00 C ATOM 946 ND1 HIS A 140 1.699 -12.173 -0.895 1.00 0.00 N ATOM 947 CD2 HIS A 140 3.081 -12.552 -2.542 1.00 0.00 C ATOM 948 CE1 HIS A 140 1.020 -12.133 -2.046 1.00 0.00 C ATOM 949 NE2 HIS A 140 1.812 -12.356 -3.077 1.00 0.00 N ATOM 0 H HIS A 140 2.857 -10.247 -0.433 1.00 0.00 H new ATOM 0 HA HIS A 140 4.345 -11.559 1.729 1.00 0.00 H new ATOM 0 HB2 HIS A 140 5.023 -12.831 -0.651 1.00 0.00 H new ATOM 0 HB3 HIS A 140 3.838 -13.380 0.517 1.00 0.00 H new ATOM 0 HD1 HIS A 140 1.310 -12.031 0.037 1.00 0.00 H new ATOM 0 HD2 HIS A 140 3.975 -12.760 -3.111 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -0.040 -11.943 -2.122 1.00 0.00 H new ATOM 957 N LEU A 141 5.650 -9.429 -0.181 1.00 0.00 N ATOM 958 CA LEU A 141 6.888 -8.761 -0.564 1.00 0.00 C ATOM 959 C LEU A 141 6.931 -7.324 -0.060 1.00 0.00 C ATOM 960 O LEU A 141 7.749 -6.978 0.792 1.00 0.00 O ATOM 961 CB LEU A 141 7.055 -8.774 -2.082 1.00 0.00 C ATOM 962 CG LEU A 141 8.396 -8.227 -2.577 1.00 0.00 C ATOM 963 CD1 LEU A 141 9.263 -9.350 -3.124 1.00 0.00 C ATOM 964 CD2 LEU A 141 8.180 -7.152 -3.631 1.00 0.00 C ATOM 0 H LEU A 141 4.805 -8.873 -0.314 1.00 0.00 H new ATOM 0 HA LEU A 141 7.708 -9.310 -0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 141 6.940 -9.798 -2.439 1.00 0.00 H new ATOM 0 HB3 LEU A 141 6.251 -8.189 -2.528 1.00 0.00 H new ATOM 0 HG LEU A 141 8.915 -7.776 -1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 141 10.212 -8.941 -3.471 1.00 0.00 H new ATOM 0 HD12 LEU A 141 9.449 -10.082 -2.338 1.00 0.00 H new ATOM 0 HD13 LEU A 141 8.750 -9.833 -3.956 1.00 0.00 H new ATOM 0 HD21 LEU A 141 9.145 -6.776 -3.970 1.00 0.00 H new ATOM 0 HD22 LEU A 141 7.638 -7.575 -4.477 1.00 0.00 H new ATOM 0 HD23 LEU A 141 7.602 -6.333 -3.203 1.00 0.00 H new ATOM 976 N ARG A 142 6.055 -6.489 -0.607 1.00 0.00 N ATOM 977 CA ARG A 142 5.992 -5.077 -0.237 1.00 0.00 C ATOM 978 C ARG A 142 6.108 -4.875 1.272 1.00 0.00 C ATOM 979 O ARG A 142 7.048 -4.240 1.750 1.00 0.00 O ATOM 980 CB ARG A 142 4.691 -4.457 -0.744 1.00 0.00 C ATOM 981 CG ARG A 142 4.489 -4.625 -2.239 1.00 0.00 C ATOM 982 CD ARG A 142 5.618 -3.982 -3.026 1.00 0.00 C ATOM 983 NE ARG A 142 5.116 -2.987 -3.966 1.00 0.00 N ATOM 984 CZ ARG A 142 5.650 -1.781 -4.136 1.00 0.00 C ATOM 985 NH1 ARG A 142 6.752 -1.426 -3.485 1.00 0.00 N ATOM 986 NH2 ARG A 142 5.080 -0.930 -4.972 1.00 0.00 N ATOM 0 H ARG A 142 5.373 -6.767 -1.313 1.00 0.00 H new ATOM 0 HA ARG A 142 6.842 -4.580 -0.705 1.00 0.00 H new ATOM 0 HB2 ARG A 142 3.851 -4.910 -0.218 1.00 0.00 H new ATOM 0 HB3 ARG A 142 4.684 -3.395 -0.500 1.00 0.00 H new ATOM 0 HG2 ARG A 142 4.431 -5.686 -2.483 1.00 0.00 H new ATOM 0 HG3 ARG A 142 3.539 -4.178 -2.532 1.00 0.00 H new ATOM 0 HD2 ARG A 142 6.321 -3.512 -2.338 1.00 0.00 H new ATOM 0 HD3 ARG A 142 6.169 -4.751 -3.568 1.00 0.00 H new ATOM 0 HE ARG A 142 4.302 -3.232 -4.530 1.00 0.00 H new ATOM 0 HH11 ARG A 142 7.200 -2.082 -2.845 1.00 0.00 H new ATOM 0 HH12 ARG A 142 7.150 -0.498 -3.625 1.00 0.00 H new ATOM 0 HH21 ARG A 142 4.238 -1.201 -5.480 1.00 0.00 H new ATOM 0 HH22 ARG A 142 5.482 -0.003 -5.109 1.00 0.00 H new ATOM 1000 N LYS A 143 5.146 -5.406 2.014 1.00 0.00 N ATOM 1001 CA LYS A 143 5.144 -5.267 3.465 1.00 0.00 C ATOM 1002 C LYS A 143 6.050 -6.302 4.124 1.00 0.00 C ATOM 1003 O LYS A 143 6.639 -6.043 5.173 1.00 0.00 O ATOM 1004 CB LYS A 143 3.723 -5.395 4.007 1.00 0.00 C ATOM 1005 CG LYS A 143 3.529 -4.712 5.348 1.00 0.00 C ATOM 1006 CD LYS A 143 3.623 -3.200 5.228 1.00 0.00 C ATOM 1007 CE LYS A 143 2.248 -2.564 5.107 1.00 0.00 C ATOM 1008 NZ LYS A 143 1.796 -1.978 6.398 1.00 0.00 N ATOM 0 H LYS A 143 4.359 -5.935 1.638 1.00 0.00 H new ATOM 0 HA LYS A 143 5.531 -4.277 3.705 1.00 0.00 H new ATOM 0 HB2 LYS A 143 3.026 -4.968 3.285 1.00 0.00 H new ATOM 0 HB3 LYS A 143 3.473 -6.451 4.105 1.00 0.00 H new ATOM 0 HG2 LYS A 143 2.556 -4.985 5.758 1.00 0.00 H new ATOM 0 HG3 LYS A 143 4.282 -5.069 6.050 1.00 0.00 H new ATOM 0 HD2 LYS A 143 4.136 -2.796 6.101 1.00 0.00 H new ATOM 0 HD3 LYS A 143 4.223 -2.940 4.356 1.00 0.00 H new ATOM 0 HE2 LYS A 143 2.273 -1.786 4.344 1.00 0.00 H new ATOM 0 HE3 LYS A 143 1.529 -3.313 4.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 1.363 -1.048 6.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 1.097 -2.609 6.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 2.612 -1.867 7.033 1.00 0.00 H new ATOM 1022 N LEU A 144 6.157 -7.473 3.508 1.00 0.00 N ATOM 1023 CA LEU A 144 6.992 -8.542 4.044 1.00 0.00 C ATOM 1024 C LEU A 144 8.435 -8.404 3.562 1.00 0.00 C ATOM 1025 O LEU A 144 9.300 -7.923 4.294 1.00 0.00 O ATOM 1026 CB LEU A 144 6.426 -9.909 3.647 1.00 0.00 C ATOM 1027 CG LEU A 144 5.841 -10.724 4.802 1.00 0.00 C ATOM 1028 CD1 LEU A 144 4.899 -11.796 4.278 1.00 0.00 C ATOM 1029 CD2 LEU A 144 6.954 -11.349 5.628 1.00 0.00 C ATOM 0 H LEU A 144 5.677 -7.707 2.639 1.00 0.00 H new ATOM 0 HA LEU A 144 6.989 -8.462 5.131 1.00 0.00 H new ATOM 0 HB2 LEU A 144 5.650 -9.760 2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 144 7.218 -10.491 3.175 1.00 0.00 H new ATOM 0 HG LEU A 144 5.271 -10.052 5.443 1.00 0.00 H new ATOM 0 HD11 LEU A 144 4.493 -12.365 5.115 1.00 0.00 H new ATOM 0 HD12 LEU A 144 4.083 -11.326 3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.444 -12.467 3.614 1.00 0.00 H new ATOM 0 HD21 LEU A 144 6.521 -11.925 6.445 1.00 0.00 H new ATOM 0 HD22 LEU A 144 7.550 -12.007 4.996 1.00 0.00 H new ATOM 0 HD23 LEU A 144 7.590 -10.563 6.035 1.00 0.00 H new