USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 598 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 21 ASN : amide:sc= 1.05 K(o=3.3,f=1.6) USER MOD Set 1.2: A 22 GLN : amide:sc= 2.23 K(o=3.3,f=1.6) USER MOD Single : A 1 LYS N :NH3+ -126:sc= 0.0748 (180deg=-0.236) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -142:sc= 1.57 USER MOD Single : A 7 LYS NZ :NH3+ -170:sc=0.000199 (180deg=-0.0862) USER MOD Single : A 12 LYS NZ :NH3+ 170:sc= -0.762 (180deg=-0.902) USER MOD Single : A 13 TYR OH : rot 22:sc= 1.2 USER MOD Single : A 16 LYS NZ :NH3+ -107:sc= 0.54 (180deg=-0.00501) USER MOD Single : A 24 SER OG : rot -166:sc= 1.69 USER MOD Single : A 25 LYS NZ :NH3+ -157:sc= 0.478 (180deg=0.255) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0.812 K(o=0.81,f=-0.087) USER MOD Single : A 34 THR OG1 : rot 78:sc= 1.1 USER MOD Single : A 38 SER OG : rot 180:sc= 0.0438 USER MOD Single : A 41 LYS NZ :NH3+ -174:sc= 0.352 (180deg=0.335) USER MOD Single : A 44 SER OG : rot 180:sc= 0.11 USER MOD Single : A 45 THR OG1 : rot -71:sc= 1.08 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 2.29 K(o=2.3,f=-5.3!) USER MOD Single : A 62 SER OG : rot -79:sc= 1.2 USER MOD Single : A 67 GLN : amide:sc= -2.09 X(o=-2.1,f=-2.4) USER MOD Single : A 71 LYS NZ :NH3+ -172:sc=-0.00438 (180deg=-0.0895) USER MOD Single : A 72 LYS NZ :NH3+ 173:sc= 0.298 (180deg=0.247) USER MOD Single : A 74 SER OG : rot 60:sc= 0.157 USER MOD Single : A 75 GLN : amide:sc= 0.418 X(o=0.42,f=-0.0071) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -18.859 -1.249 -5.071 1.00 0.00 N ATOM 2 CA LYS A 1 -17.431 -1.393 -4.864 1.00 0.00 C ATOM 3 C LYS A 1 -16.710 -0.409 -5.786 1.00 0.00 C ATOM 4 O LYS A 1 -17.242 -0.065 -6.840 1.00 0.00 O ATOM 5 CB LYS A 1 -17.019 -2.842 -5.156 1.00 0.00 C ATOM 6 CG LYS A 1 -17.639 -3.800 -4.131 1.00 0.00 C ATOM 7 CD LYS A 1 -17.106 -5.233 -4.268 1.00 0.00 C ATOM 8 CE LYS A 1 -17.477 -5.865 -5.614 1.00 0.00 C ATOM 9 NZ LYS A 1 -17.081 -7.284 -5.667 1.00 0.00 N ATOM 0 H1 LYS A 1 -19.326 -1.072 -4.159 1.00 0.00 H new ATOM 0 H2 LYS A 1 -19.038 -0.450 -5.713 1.00 0.00 H new ATOM 0 H3 LYS A 1 -19.239 -2.122 -5.490 1.00 0.00 H new ATOM 0 HA LYS A 1 -17.161 -1.171 -3.832 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -17.338 -3.120 -6.160 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -15.933 -2.928 -5.131 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -17.433 -3.434 -3.125 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -18.722 -3.806 -4.253 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -16.022 -5.227 -4.159 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -17.505 -5.845 -3.459 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -18.552 -5.779 -5.775 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -16.989 -5.319 -6.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -17.345 -7.684 -6.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -16.052 -7.362 -5.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -17.566 -7.808 -4.911 1.00 0.00 H new ATOM 25 N SER A 2 -15.517 0.057 -5.408 1.00 0.00 N ATOM 26 CA SER A 2 -14.737 1.004 -6.198 1.00 0.00 C ATOM 27 C SER A 2 -13.385 1.238 -5.516 1.00 0.00 C ATOM 28 O SER A 2 -13.212 0.841 -4.358 1.00 0.00 O ATOM 29 CB SER A 2 -15.507 2.334 -6.390 1.00 0.00 C ATOM 30 OG SER A 2 -14.940 3.402 -5.647 1.00 0.00 O ATOM 0 H SER A 2 -15.064 -0.217 -4.536 1.00 0.00 H new ATOM 0 HA SER A 2 -14.565 0.587 -7.190 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.515 2.596 -7.448 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.545 2.196 -6.088 1.00 0.00 H new ATOM 0 HG SER A 2 -15.656 3.965 -5.285 1.00 0.00 H new ATOM 36 N PRO A 3 -12.436 1.904 -6.200 1.00 0.00 N ATOM 37 CA PRO A 3 -11.146 2.272 -5.638 1.00 0.00 C ATOM 38 C PRO A 3 -11.273 2.959 -4.276 1.00 0.00 C ATOM 39 O PRO A 3 -10.341 2.891 -3.482 1.00 0.00 O ATOM 40 CB PRO A 3 -10.488 3.197 -6.665 1.00 0.00 C ATOM 41 CG PRO A 3 -11.111 2.743 -7.982 1.00 0.00 C ATOM 42 CD PRO A 3 -12.541 2.401 -7.566 1.00 0.00 C ATOM 0 HA PRO A 3 -10.545 1.382 -5.452 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.700 4.246 -6.458 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.404 3.086 -6.672 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.084 3.529 -8.737 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.592 1.881 -8.401 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.186 3.278 -7.617 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.973 1.649 -8.226 1.00 0.00 H new ATOM 50 N GLU A 4 -12.408 3.610 -3.979 1.00 0.00 N ATOM 51 CA GLU A 4 -12.657 4.271 -2.720 1.00 0.00 C ATOM 52 C GLU A 4 -12.390 3.345 -1.526 1.00 0.00 C ATOM 53 O GLU A 4 -11.936 3.788 -0.475 1.00 0.00 O ATOM 54 CB GLU A 4 -14.098 4.788 -2.767 1.00 0.00 C ATOM 55 CG GLU A 4 -15.173 3.711 -2.548 1.00 0.00 C ATOM 56 CD GLU A 4 -16.567 4.255 -2.844 1.00 0.00 C ATOM 57 OE1 GLU A 4 -16.861 4.421 -4.049 1.00 0.00 O ATOM 58 OE2 GLU A 4 -17.304 4.504 -1.867 1.00 0.00 O ATOM 0 H GLU A 4 -13.187 3.684 -4.633 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.971 5.106 -2.576 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.217 5.561 -2.008 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.269 5.261 -3.734 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.970 2.855 -3.191 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.130 3.354 -1.519 1.00 0.00 H new ATOM 65 N GLU A 5 -12.657 2.048 -1.686 1.00 0.00 N ATOM 66 CA GLU A 5 -12.433 1.065 -0.636 1.00 0.00 C ATOM 67 C GLU A 5 -10.936 0.972 -0.359 1.00 0.00 C ATOM 68 O GLU A 5 -10.482 0.995 0.783 1.00 0.00 O ATOM 69 CB GLU A 5 -12.957 -0.301 -1.095 1.00 0.00 C ATOM 70 CG GLU A 5 -14.446 -0.235 -1.435 1.00 0.00 C ATOM 71 CD GLU A 5 -14.915 -1.536 -2.069 1.00 0.00 C ATOM 72 OE1 GLU A 5 -14.692 -1.666 -3.292 1.00 0.00 O ATOM 73 OE2 GLU A 5 -15.481 -2.370 -1.330 1.00 0.00 O ATOM 0 H GLU A 5 -13.034 1.654 -2.548 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.958 1.364 0.271 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.396 -0.634 -1.968 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.793 -1.039 -0.310 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.022 -0.038 -0.530 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.631 0.595 -2.117 1.00 0.00 H new ATOM 80 N LEU A 6 -10.170 0.879 -1.443 1.00 0.00 N ATOM 81 CA LEU A 6 -8.724 0.746 -1.393 1.00 0.00 C ATOM 82 C LEU A 6 -8.139 2.045 -0.849 1.00 0.00 C ATOM 83 O LEU A 6 -7.188 2.024 -0.073 1.00 0.00 O ATOM 84 CB LEU A 6 -8.173 0.337 -2.763 1.00 0.00 C ATOM 85 CG LEU A 6 -8.765 -0.999 -3.255 1.00 0.00 C ATOM 86 CD1 LEU A 6 -8.220 -1.322 -4.646 1.00 0.00 C ATOM 87 CD2 LEU A 6 -8.447 -2.176 -2.324 1.00 0.00 C ATOM 0 H LEU A 6 -10.545 0.895 -2.391 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.426 -0.055 -0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.393 1.119 -3.489 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.088 0.252 -2.705 1.00 0.00 H new ATOM 0 HG LEU A 6 -9.847 -0.871 -3.273 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.640 -2.267 -4.991 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.497 -0.527 -5.339 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.134 -1.403 -4.602 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.891 -3.087 -2.725 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.367 -2.300 -2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -8.857 -1.978 -1.334 1.00 0.00 H new ATOM 99 N LYS A 7 -8.726 3.180 -1.228 1.00 0.00 N ATOM 100 CA LYS A 7 -8.360 4.479 -0.701 1.00 0.00 C ATOM 101 C LYS A 7 -8.576 4.470 0.808 1.00 0.00 C ATOM 102 O LYS A 7 -7.695 4.882 1.554 1.00 0.00 O ATOM 103 CB LYS A 7 -9.197 5.564 -1.385 1.00 0.00 C ATOM 104 CG LYS A 7 -8.665 6.965 -1.051 1.00 0.00 C ATOM 105 CD LYS A 7 -9.464 8.039 -1.797 1.00 0.00 C ATOM 106 CE LYS A 7 -8.919 9.442 -1.503 1.00 0.00 C ATOM 107 NZ LYS A 7 -9.075 9.816 -0.085 1.00 0.00 N ATOM 0 H LYS A 7 -9.477 3.215 -1.918 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.311 4.695 -0.901 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.181 5.413 -2.464 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.236 5.481 -1.067 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.729 7.137 0.023 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.612 7.034 -1.323 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -9.422 7.847 -2.869 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.512 7.985 -1.504 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.864 9.484 -1.774 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.438 10.169 -2.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.852 10.825 0.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.055 9.640 0.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.428 9.247 0.497 1.00 0.00 H new ATOM 121 N GLY A 8 -9.738 3.990 1.257 1.00 0.00 N ATOM 122 CA GLY A 8 -10.068 3.909 2.666 1.00 0.00 C ATOM 123 C GLY A 8 -9.011 3.087 3.390 1.00 0.00 C ATOM 124 O GLY A 8 -8.474 3.513 4.407 1.00 0.00 O ATOM 0 H GLY A 8 -10.476 3.646 0.642 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.123 4.909 3.095 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.050 3.453 2.795 1.00 0.00 H new ATOM 128 N ILE A 9 -8.712 1.900 2.864 1.00 0.00 N ATOM 129 CA ILE A 9 -7.716 0.988 3.412 1.00 0.00 C ATOM 130 C ILE A 9 -6.357 1.696 3.506 1.00 0.00 C ATOM 131 O ILE A 9 -5.798 1.826 4.595 1.00 0.00 O ATOM 132 CB ILE A 9 -7.700 -0.284 2.546 1.00 0.00 C ATOM 133 CG1 ILE A 9 -9.018 -1.069 2.707 1.00 0.00 C ATOM 134 CG2 ILE A 9 -6.478 -1.165 2.815 1.00 0.00 C ATOM 135 CD1 ILE A 9 -9.039 -2.027 3.904 1.00 0.00 C ATOM 0 H ILE A 9 -9.168 1.540 2.026 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.962 0.686 4.430 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.618 0.034 1.507 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.839 -0.360 2.809 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.201 -1.640 1.796 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.518 -2.048 2.177 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.569 -0.603 2.599 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.474 -1.473 3.861 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -10.001 -2.538 3.944 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.241 -2.762 3.796 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.890 -1.463 4.824 1.00 0.00 H new ATOM 147 N PHE A 10 -5.831 2.164 2.369 1.00 0.00 N ATOM 148 CA PHE A 10 -4.571 2.889 2.293 1.00 0.00 C ATOM 149 C PHE A 10 -4.540 3.989 3.360 1.00 0.00 C ATOM 150 O PHE A 10 -3.612 4.053 4.156 1.00 0.00 O ATOM 151 CB PHE A 10 -4.421 3.500 0.887 1.00 0.00 C ATOM 152 CG PHE A 10 -3.266 4.475 0.744 1.00 0.00 C ATOM 153 CD1 PHE A 10 -3.418 5.787 1.235 1.00 0.00 C ATOM 154 CD2 PHE A 10 -1.979 4.017 0.407 1.00 0.00 C ATOM 155 CE1 PHE A 10 -2.308 6.461 1.760 1.00 0.00 C ATOM 156 CE2 PHE A 10 -0.863 4.813 0.716 1.00 0.00 C ATOM 157 CZ PHE A 10 -1.022 5.959 1.514 1.00 0.00 C ATOM 0 H PHE A 10 -6.282 2.044 1.462 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.742 2.206 2.475 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.290 2.693 0.166 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.347 4.013 0.627 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.384 6.270 1.207 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.850 3.064 -0.084 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.441 7.357 2.348 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.114 4.545 0.341 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.158 6.451 1.936 1.00 0.00 H new ATOM 167 N GLU A 11 -5.559 4.850 3.363 1.00 0.00 N ATOM 168 CA GLU A 11 -5.682 5.989 4.257 1.00 0.00 C ATOM 169 C GLU A 11 -5.657 5.564 5.723 1.00 0.00 C ATOM 170 O GLU A 11 -4.876 6.098 6.507 1.00 0.00 O ATOM 171 CB GLU A 11 -6.959 6.761 3.901 1.00 0.00 C ATOM 172 CG GLU A 11 -7.033 8.132 4.582 1.00 0.00 C ATOM 173 CD GLU A 11 -8.249 8.913 4.092 1.00 0.00 C ATOM 174 OE1 GLU A 11 -8.267 9.240 2.885 1.00 0.00 O ATOM 175 OE2 GLU A 11 -9.146 9.159 4.928 1.00 0.00 O ATOM 0 H GLU A 11 -6.345 4.765 2.719 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.822 6.646 4.124 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.008 6.894 2.820 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.828 6.170 4.189 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.088 8.004 5.663 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.124 8.696 4.374 1.00 0.00 H new ATOM 182 N LYS A 12 -6.504 4.604 6.107 1.00 0.00 N ATOM 183 CA LYS A 12 -6.590 4.116 7.457 1.00 0.00 C ATOM 184 C LYS A 12 -5.212 3.701 7.959 1.00 0.00 C ATOM 185 O LYS A 12 -4.835 4.072 9.066 1.00 0.00 O ATOM 186 CB LYS A 12 -7.582 2.951 7.485 1.00 0.00 C ATOM 187 CG LYS A 12 -9.031 3.422 7.673 1.00 0.00 C ATOM 188 CD LYS A 12 -9.955 2.276 8.118 1.00 0.00 C ATOM 189 CE LYS A 12 -9.965 1.080 7.159 1.00 0.00 C ATOM 190 NZ LYS A 12 -10.360 1.481 5.800 1.00 0.00 N ATOM 0 H LYS A 12 -7.153 4.147 5.466 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.947 4.900 8.125 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.503 2.388 6.555 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.316 2.270 8.294 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.060 4.220 8.415 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.400 3.843 6.738 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.645 1.935 9.106 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.971 2.659 8.217 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.974 0.626 7.132 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.654 0.321 7.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.195 0.692 5.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.369 1.733 5.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.796 2.303 5.503 1.00 0.00 H new ATOM 204 N TYR A 13 -4.450 2.944 7.165 1.00 0.00 N ATOM 205 CA TYR A 13 -3.122 2.551 7.601 1.00 0.00 C ATOM 206 C TYR A 13 -2.162 3.739 7.544 1.00 0.00 C ATOM 207 O TYR A 13 -1.437 3.947 8.509 1.00 0.00 O ATOM 208 CB TYR A 13 -2.637 1.307 6.864 1.00 0.00 C ATOM 209 CG TYR A 13 -3.264 0.044 7.431 1.00 0.00 C ATOM 210 CD1 TYR A 13 -4.589 -0.288 7.097 1.00 0.00 C ATOM 211 CD2 TYR A 13 -2.514 -0.825 8.247 1.00 0.00 C ATOM 212 CE1 TYR A 13 -5.164 -1.475 7.574 1.00 0.00 C ATOM 213 CE2 TYR A 13 -3.118 -1.973 8.787 1.00 0.00 C ATOM 214 CZ TYR A 13 -4.440 -2.302 8.447 1.00 0.00 C ATOM 215 OH TYR A 13 -4.995 -3.448 8.929 1.00 0.00 O ATOM 0 H TYR A 13 -4.725 2.603 6.244 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.162 2.254 8.649 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.881 1.392 5.805 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.551 1.240 6.937 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -5.167 0.375 6.470 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.477 -0.609 8.457 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -6.163 -1.752 7.270 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.564 -2.604 9.466 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.720 -3.735 8.335 1.00 0.00 H new ATOM 225 N ALA A 14 -2.145 4.535 6.469 1.00 0.00 N ATOM 226 CA ALA A 14 -1.264 5.698 6.391 1.00 0.00 C ATOM 227 C ALA A 14 -1.437 6.622 7.601 1.00 0.00 C ATOM 228 O ALA A 14 -0.480 7.230 8.069 1.00 0.00 O ATOM 229 CB ALA A 14 -1.529 6.442 5.086 1.00 0.00 C ATOM 0 H ALA A 14 -2.730 4.393 5.646 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.229 5.355 6.405 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.874 7.311 5.023 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.334 5.779 4.243 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.569 6.769 5.058 1.00 0.00 H new ATOM 235 N ALA A 15 -2.661 6.720 8.125 1.00 0.00 N ATOM 236 CA ALA A 15 -2.985 7.544 9.280 1.00 0.00 C ATOM 237 C ALA A 15 -2.272 7.121 10.571 1.00 0.00 C ATOM 238 O ALA A 15 -2.350 7.860 11.549 1.00 0.00 O ATOM 239 CB ALA A 15 -4.502 7.572 9.477 1.00 0.00 C ATOM 0 H ALA A 15 -3.465 6.218 7.748 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.615 8.546 9.065 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.745 8.189 10.342 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.977 7.989 8.589 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.866 6.558 9.641 1.00 0.00 H new ATOM 245 N LYS A 16 -1.595 5.965 10.625 1.00 0.00 N ATOM 246 CA LYS A 16 -0.907 5.559 11.844 1.00 0.00 C ATOM 247 C LYS A 16 0.266 6.504 12.133 1.00 0.00 C ATOM 248 O LYS A 16 0.338 7.090 13.210 1.00 0.00 O ATOM 249 CB LYS A 16 -0.461 4.088 11.755 1.00 0.00 C ATOM 250 CG LYS A 16 -1.065 3.200 12.853 1.00 0.00 C ATOM 251 CD LYS A 16 -2.599 3.107 12.848 1.00 0.00 C ATOM 252 CE LYS A 16 -3.149 2.703 11.477 1.00 0.00 C ATOM 253 NZ LYS A 16 -4.604 2.488 11.521 1.00 0.00 N ATOM 0 H LYS A 16 -1.513 5.309 9.849 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.599 5.631 12.683 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.742 3.689 10.780 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.626 4.041 11.817 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.656 2.195 12.752 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.743 3.579 13.823 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.920 2.381 13.595 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.021 4.069 13.138 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.917 3.479 10.748 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.656 1.791 11.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.806 1.470 11.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.984 2.866 12.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.052 2.977 10.719 1.00 0.00 H new ATOM 267 N GLU A 17 1.195 6.646 11.185 1.00 0.00 N ATOM 268 CA GLU A 17 2.345 7.520 11.347 1.00 0.00 C ATOM 269 C GLU A 17 1.979 8.990 11.106 1.00 0.00 C ATOM 270 O GLU A 17 0.909 9.313 10.599 1.00 0.00 O ATOM 271 CB GLU A 17 3.500 7.044 10.459 1.00 0.00 C ATOM 272 CG GLU A 17 4.022 5.690 10.968 1.00 0.00 C ATOM 273 CD GLU A 17 5.296 5.239 10.261 1.00 0.00 C ATOM 274 OE1 GLU A 17 5.972 6.104 9.665 1.00 0.00 O ATOM 275 OE2 GLU A 17 5.583 4.025 10.335 1.00 0.00 O ATOM 0 H GLU A 17 1.166 6.158 10.290 1.00 0.00 H new ATOM 0 HA GLU A 17 2.682 7.463 12.382 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.163 6.950 9.427 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.304 7.780 10.466 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.212 5.760 12.039 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.249 4.934 10.830 1.00 0.00 H new ATOM 282 N GLY A 18 2.902 9.875 11.493 1.00 0.00 N ATOM 283 CA GLY A 18 2.796 11.326 11.419 1.00 0.00 C ATOM 284 C GLY A 18 2.083 11.864 10.180 1.00 0.00 C ATOM 285 O GLY A 18 1.099 12.585 10.308 1.00 0.00 O ATOM 0 H GLY A 18 3.793 9.575 11.889 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.269 11.681 12.305 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.800 11.750 11.454 1.00 0.00 H new ATOM 289 N ASP A 19 2.585 11.547 8.982 1.00 0.00 N ATOM 290 CA ASP A 19 2.003 12.023 7.731 1.00 0.00 C ATOM 291 C ASP A 19 0.892 11.067 7.268 1.00 0.00 C ATOM 292 O ASP A 19 1.219 9.976 6.803 1.00 0.00 O ATOM 293 CB ASP A 19 3.101 12.167 6.669 1.00 0.00 C ATOM 294 CG ASP A 19 2.602 12.924 5.441 1.00 0.00 C ATOM 295 OD1 ASP A 19 1.415 12.745 5.092 1.00 0.00 O ATOM 296 OD2 ASP A 19 3.425 13.680 4.878 1.00 0.00 O ATOM 0 H ASP A 19 3.405 10.954 8.856 1.00 0.00 H new ATOM 0 HA ASP A 19 1.553 13.004 7.887 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.955 12.691 7.097 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.450 11.179 6.370 1.00 0.00 H new ATOM 301 N PRO A 20 -0.398 11.437 7.350 1.00 0.00 N ATOM 302 CA PRO A 20 -1.491 10.549 6.975 1.00 0.00 C ATOM 303 C PRO A 20 -1.574 10.250 5.476 1.00 0.00 C ATOM 304 O PRO A 20 -2.357 9.392 5.079 1.00 0.00 O ATOM 305 CB PRO A 20 -2.764 11.233 7.481 1.00 0.00 C ATOM 306 CG PRO A 20 -2.401 12.714 7.413 1.00 0.00 C ATOM 307 CD PRO A 20 -0.930 12.706 7.827 1.00 0.00 C ATOM 0 HA PRO A 20 -1.336 9.567 7.422 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -3.625 10.998 6.856 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.013 10.924 8.496 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -2.540 13.121 6.412 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -3.011 13.314 8.089 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.394 13.547 7.387 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.826 12.793 8.909 1.00 0.00 H new ATOM 315 N ASN A 21 -0.802 10.930 4.623 1.00 0.00 N ATOM 316 CA ASN A 21 -0.828 10.679 3.191 1.00 0.00 C ATOM 317 C ASN A 21 0.141 9.557 2.807 1.00 0.00 C ATOM 318 O ASN A 21 -0.018 8.975 1.735 1.00 0.00 O ATOM 319 CB ASN A 21 -0.494 11.979 2.450 1.00 0.00 C ATOM 320 CG ASN A 21 -0.260 11.749 0.962 1.00 0.00 C ATOM 321 OD1 ASN A 21 -1.189 11.550 0.189 1.00 0.00 O ATOM 322 ND2 ASN A 21 0.990 11.769 0.529 1.00 0.00 N ATOM 0 H ASN A 21 -0.150 11.661 4.908 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.826 10.348 2.903 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.309 12.690 2.582 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.396 12.428 2.891 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.190 11.618 -0.460 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.754 11.936 1.184 1.00 0.00 H new ATOM 329 N GLN A 22 1.135 9.247 3.651 1.00 0.00 N ATOM 330 CA GLN A 22 2.143 8.245 3.328 1.00 0.00 C ATOM 331 C GLN A 22 2.058 6.950 4.137 1.00 0.00 C ATOM 332 O GLN A 22 1.743 6.957 5.320 1.00 0.00 O ATOM 333 CB GLN A 22 3.553 8.813 3.532 1.00 0.00 C ATOM 334 CG GLN A 22 4.093 9.703 2.407 1.00 0.00 C ATOM 335 CD GLN A 22 3.992 11.155 2.817 1.00 0.00 C ATOM 336 OE1 GLN A 22 3.107 11.880 2.382 1.00 0.00 O ATOM 337 NE2 GLN A 22 4.901 11.598 3.670 1.00 0.00 N ATOM 0 H GLN A 22 1.257 9.682 4.565 1.00 0.00 H new ATOM 0 HA GLN A 22 1.940 7.996 2.286 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.560 9.389 4.458 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.242 7.979 3.670 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.130 9.446 2.193 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.527 9.533 1.491 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.626 10.969 4.015 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.877 12.568 3.983 1.00 0.00 H new ATOM 346 N LEU A 23 2.397 5.843 3.472 1.00 0.00 N ATOM 347 CA LEU A 23 2.526 4.512 4.050 1.00 0.00 C ATOM 348 C LEU A 23 4.012 4.195 4.214 1.00 0.00 C ATOM 349 O LEU A 23 4.678 3.918 3.222 1.00 0.00 O ATOM 350 CB LEU A 23 1.943 3.467 3.097 1.00 0.00 C ATOM 351 CG LEU A 23 0.464 3.170 3.310 1.00 0.00 C ATOM 352 CD1 LEU A 23 0.036 2.139 2.258 1.00 0.00 C ATOM 353 CD2 LEU A 23 0.138 2.587 4.690 1.00 0.00 C ATOM 0 H LEU A 23 2.597 5.855 2.472 1.00 0.00 H new ATOM 0 HA LEU A 23 2.000 4.488 5.004 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.088 3.808 2.072 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.506 2.540 3.207 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.066 4.119 3.228 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.021 1.906 2.386 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.200 2.547 1.261 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.625 1.230 2.379 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.934 2.403 4.763 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.677 1.649 4.825 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.439 3.293 5.464 1.00 0.00 H new ATOM 365 N SER A 24 4.567 4.210 5.424 1.00 0.00 N ATOM 366 CA SER A 24 5.984 3.876 5.578 1.00 0.00 C ATOM 367 C SER A 24 6.200 2.400 5.225 1.00 0.00 C ATOM 368 O SER A 24 5.238 1.645 5.140 1.00 0.00 O ATOM 369 CB SER A 24 6.475 4.182 6.996 1.00 0.00 C ATOM 370 OG SER A 24 6.157 3.117 7.872 1.00 0.00 O ATOM 0 H SER A 24 4.077 4.442 6.288 1.00 0.00 H new ATOM 0 HA SER A 24 6.569 4.494 4.896 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.553 4.343 6.987 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.018 5.104 7.354 1.00 0.00 H new ATOM 0 HG SER A 24 6.266 3.413 8.800 1.00 0.00 H new ATOM 376 N LYS A 25 7.445 1.957 5.032 1.00 0.00 N ATOM 377 CA LYS A 25 7.716 0.542 4.777 1.00 0.00 C ATOM 378 C LYS A 25 7.135 -0.289 5.924 1.00 0.00 C ATOM 379 O LYS A 25 6.389 -1.249 5.726 1.00 0.00 O ATOM 380 CB LYS A 25 9.229 0.341 4.557 1.00 0.00 C ATOM 381 CG LYS A 25 9.702 -1.092 4.856 1.00 0.00 C ATOM 382 CD LYS A 25 11.179 -1.343 4.523 1.00 0.00 C ATOM 383 CE LYS A 25 11.475 -1.205 3.025 1.00 0.00 C ATOM 384 NZ LYS A 25 12.816 -1.713 2.682 1.00 0.00 N ATOM 0 H LYS A 25 8.273 2.552 5.047 1.00 0.00 H new ATOM 0 HA LYS A 25 7.229 0.198 3.864 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.475 0.590 3.525 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.777 1.037 5.192 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.537 -1.305 5.912 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.088 -1.792 4.289 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.798 -0.639 5.079 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.458 -2.343 4.855 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.723 -1.750 2.454 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.398 -0.157 2.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.138 -1.272 1.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.481 -1.480 3.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.776 -2.745 2.560 1.00 0.00 H new ATOM 398 N GLU A 26 7.483 0.113 7.141 1.00 0.00 N ATOM 399 CA GLU A 26 7.008 -0.518 8.364 1.00 0.00 C ATOM 400 C GLU A 26 5.470 -0.524 8.386 1.00 0.00 C ATOM 401 O GLU A 26 4.846 -1.532 8.692 1.00 0.00 O ATOM 402 CB GLU A 26 7.627 0.208 9.570 1.00 0.00 C ATOM 403 CG GLU A 26 7.610 -0.635 10.854 1.00 0.00 C ATOM 404 CD GLU A 26 6.223 -0.807 11.466 1.00 0.00 C ATOM 405 OE1 GLU A 26 5.471 0.191 11.467 1.00 0.00 O ATOM 406 OE2 GLU A 26 5.952 -1.932 11.937 1.00 0.00 O ATOM 0 H GLU A 26 8.112 0.898 7.307 1.00 0.00 H new ATOM 0 HA GLU A 26 7.322 -1.561 8.412 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.656 0.479 9.334 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.084 1.137 9.745 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.024 -1.619 10.635 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.265 -0.170 11.590 1.00 0.00 H new ATOM 413 N GLU A 27 4.848 0.603 8.051 1.00 0.00 N ATOM 414 CA GLU A 27 3.397 0.741 8.028 1.00 0.00 C ATOM 415 C GLU A 27 2.773 -0.159 6.954 1.00 0.00 C ATOM 416 O GLU A 27 1.711 -0.745 7.160 1.00 0.00 O ATOM 417 CB GLU A 27 3.096 2.224 7.805 1.00 0.00 C ATOM 418 CG GLU A 27 1.720 2.739 8.221 1.00 0.00 C ATOM 419 CD GLU A 27 1.764 4.268 8.232 1.00 0.00 C ATOM 420 OE1 GLU A 27 2.524 4.822 7.406 1.00 0.00 O ATOM 421 OE2 GLU A 27 1.103 4.853 9.111 1.00 0.00 O ATOM 0 H GLU A 27 5.343 1.454 7.785 1.00 0.00 H new ATOM 0 HA GLU A 27 2.953 0.415 8.969 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.847 2.803 8.342 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.227 2.437 6.744 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.957 2.386 7.528 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.455 2.359 9.208 1.00 0.00 H new ATOM 428 N LEU A 28 3.427 -0.288 5.798 1.00 0.00 N ATOM 429 CA LEU A 28 2.950 -1.147 4.732 1.00 0.00 C ATOM 430 C LEU A 28 2.923 -2.588 5.241 1.00 0.00 C ATOM 431 O LEU A 28 1.984 -3.320 4.949 1.00 0.00 O ATOM 432 CB LEU A 28 3.856 -1.003 3.500 1.00 0.00 C ATOM 433 CG LEU A 28 3.309 -1.736 2.263 1.00 0.00 C ATOM 434 CD1 LEU A 28 2.065 -1.062 1.677 1.00 0.00 C ATOM 435 CD2 LEU A 28 4.381 -1.828 1.174 1.00 0.00 C ATOM 0 H LEU A 28 4.296 0.200 5.583 1.00 0.00 H new ATOM 0 HA LEU A 28 1.942 -0.860 4.434 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.976 0.055 3.265 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.847 -1.391 3.737 1.00 0.00 H new ATOM 0 HG LEU A 28 3.026 -2.733 2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.723 -1.622 0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.275 -1.041 2.428 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.310 -0.043 1.379 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.975 -2.350 0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.690 -0.824 0.882 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.242 -2.376 1.557 1.00 0.00 H new ATOM 447 N LYS A 29 3.942 -3.001 6.003 1.00 0.00 N ATOM 448 CA LYS A 29 4.025 -4.361 6.531 1.00 0.00 C ATOM 449 C LYS A 29 2.701 -4.791 7.167 1.00 0.00 C ATOM 450 O LYS A 29 2.049 -5.713 6.673 1.00 0.00 O ATOM 451 CB LYS A 29 5.182 -4.489 7.531 1.00 0.00 C ATOM 452 CG LYS A 29 5.321 -5.896 8.119 1.00 0.00 C ATOM 453 CD LYS A 29 5.926 -6.865 7.101 1.00 0.00 C ATOM 454 CE LYS A 29 6.026 -8.278 7.678 1.00 0.00 C ATOM 455 NZ LYS A 29 6.563 -9.227 6.689 1.00 0.00 N ATOM 0 H LYS A 29 4.726 -2.404 6.268 1.00 0.00 H new ATOM 0 HA LYS A 29 4.224 -5.032 5.695 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.114 -4.216 7.035 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.032 -3.777 8.342 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.949 -5.860 9.009 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.343 -6.259 8.434 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.313 -6.879 6.199 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.917 -6.518 6.808 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.667 -8.268 8.560 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.040 -8.610 8.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.618 -10.175 7.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.937 -9.254 5.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.514 -8.923 6.397 1.00 0.00 H new ATOM 469 N LEU A 30 2.310 -4.139 8.265 1.00 0.00 N ATOM 470 CA LEU A 30 1.059 -4.441 8.958 1.00 0.00 C ATOM 471 C LEU A 30 -0.117 -4.461 7.975 1.00 0.00 C ATOM 472 O LEU A 30 -0.936 -5.380 8.004 1.00 0.00 O ATOM 473 CB LEU A 30 0.763 -3.494 10.137 1.00 0.00 C ATOM 474 CG LEU A 30 1.596 -2.213 10.277 1.00 0.00 C ATOM 475 CD1 LEU A 30 0.802 -1.150 11.045 1.00 0.00 C ATOM 476 CD2 LEU A 30 2.899 -2.480 11.037 1.00 0.00 C ATOM 0 H LEU A 30 2.851 -3.389 8.696 1.00 0.00 H new ATOM 0 HA LEU A 30 1.186 -5.434 9.389 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.285 -3.202 10.072 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.878 -4.066 11.058 1.00 0.00 H new ATOM 0 HG LEU A 30 1.829 -1.863 9.272 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.402 -0.245 11.139 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.117 -0.922 10.505 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.556 -1.527 12.038 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.468 -1.554 11.120 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.668 -2.855 12.034 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.489 -3.221 10.498 1.00 0.00 H new ATOM 488 N LEU A 31 -0.196 -3.451 7.107 1.00 0.00 N ATOM 489 CA LEU A 31 -1.244 -3.337 6.098 1.00 0.00 C ATOM 490 C LEU A 31 -1.367 -4.628 5.295 1.00 0.00 C ATOM 491 O LEU A 31 -2.438 -5.227 5.212 1.00 0.00 O ATOM 492 CB LEU A 31 -0.930 -2.175 5.141 1.00 0.00 C ATOM 493 CG LEU A 31 -2.166 -1.516 4.512 1.00 0.00 C ATOM 494 CD1 LEU A 31 -1.758 -0.644 3.326 1.00 0.00 C ATOM 495 CD2 LEU A 31 -3.245 -2.485 4.050 1.00 0.00 C ATOM 0 H LEU A 31 0.474 -2.682 7.087 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.187 -3.148 6.610 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.366 -1.416 5.684 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.284 -2.542 4.343 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.601 -0.922 5.316 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.645 -0.184 2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.074 0.134 3.665 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.263 -1.260 2.575 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.076 -1.926 3.620 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.832 -3.157 3.298 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.600 -3.067 4.901 1.00 0.00 H new ATOM 507 N LEU A 32 -0.260 -5.053 4.694 1.00 0.00 N ATOM 508 CA LEU A 32 -0.236 -6.224 3.839 1.00 0.00 C ATOM 509 C LEU A 32 -0.631 -7.450 4.637 1.00 0.00 C ATOM 510 O LEU A 32 -1.476 -8.229 4.213 1.00 0.00 O ATOM 511 CB LEU A 32 1.161 -6.428 3.249 1.00 0.00 C ATOM 512 CG LEU A 32 1.619 -5.282 2.345 1.00 0.00 C ATOM 513 CD1 LEU A 32 3.117 -5.460 2.085 1.00 0.00 C ATOM 514 CD2 LEU A 32 0.829 -5.224 1.034 1.00 0.00 C ATOM 0 H LEU A 32 0.644 -4.591 4.789 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.945 -6.074 3.025 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.876 -6.545 4.063 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.173 -7.357 2.678 1.00 0.00 H new ATOM 0 HG LEU A 32 1.431 -4.332 2.844 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.473 -4.655 1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.656 -5.433 3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.290 -6.419 1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.191 -4.394 0.427 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.961 -6.158 0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.229 -5.079 1.253 1.00 0.00 H new ATOM 526 N GLN A 33 -0.012 -7.605 5.801 1.00 0.00 N ATOM 527 CA GLN A 33 -0.211 -8.734 6.678 1.00 0.00 C ATOM 528 C GLN A 33 -1.684 -8.884 7.058 1.00 0.00 C ATOM 529 O GLN A 33 -2.221 -9.987 7.041 1.00 0.00 O ATOM 530 CB GLN A 33 0.668 -8.477 7.904 1.00 0.00 C ATOM 531 CG GLN A 33 2.085 -9.069 7.850 1.00 0.00 C ATOM 532 CD GLN A 33 2.686 -9.253 6.456 1.00 0.00 C ATOM 533 OE1 GLN A 33 2.921 -10.365 6.010 1.00 0.00 O ATOM 534 NE2 GLN A 33 2.961 -8.179 5.737 1.00 0.00 N ATOM 0 H GLN A 33 0.658 -6.927 6.163 1.00 0.00 H new ATOM 0 HA GLN A 33 0.065 -9.670 6.192 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.750 -7.400 8.048 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.161 -8.878 8.781 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.748 -8.424 8.427 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.071 -10.039 8.348 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.764 -7.251 6.111 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.370 -8.278 4.808 1.00 0.00 H new ATOM 543 N THR A 34 -2.327 -7.775 7.415 1.00 0.00 N ATOM 544 CA THR A 34 -3.710 -7.781 7.863 1.00 0.00 C ATOM 545 C THR A 34 -4.722 -7.828 6.715 1.00 0.00 C ATOM 546 O THR A 34 -5.644 -8.639 6.743 1.00 0.00 O ATOM 547 CB THR A 34 -3.943 -6.558 8.766 1.00 0.00 C ATOM 548 OG1 THR A 34 -2.877 -6.423 9.685 1.00 0.00 O ATOM 549 CG2 THR A 34 -5.245 -6.690 9.561 1.00 0.00 C ATOM 0 H THR A 34 -1.901 -6.849 7.401 1.00 0.00 H new ATOM 0 HA THR A 34 -3.876 -8.700 8.426 1.00 0.00 H new ATOM 0 HB THR A 34 -4.004 -5.683 8.118 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.103 -6.026 9.233 1.00 0.00 H new ATOM 0 HG21 THR A 34 -5.379 -5.809 10.189 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.085 -6.776 8.872 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.199 -7.580 10.189 1.00 0.00 H new ATOM 557 N GLU A 35 -4.582 -6.947 5.720 1.00 0.00 N ATOM 558 CA GLU A 35 -5.550 -6.798 4.639 1.00 0.00 C ATOM 559 C GLU A 35 -5.236 -7.566 3.352 1.00 0.00 C ATOM 560 O GLU A 35 -6.170 -7.896 2.625 1.00 0.00 O ATOM 561 CB GLU A 35 -5.699 -5.306 4.297 1.00 0.00 C ATOM 562 CG GLU A 35 -5.916 -4.389 5.512 1.00 0.00 C ATOM 563 CD GLU A 35 -7.160 -4.714 6.329 1.00 0.00 C ATOM 564 OE1 GLU A 35 -8.163 -5.138 5.717 1.00 0.00 O ATOM 565 OE2 GLU A 35 -7.089 -4.492 7.559 1.00 0.00 O ATOM 0 H GLU A 35 -3.786 -6.314 5.645 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.471 -7.236 5.023 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.806 -4.978 3.766 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.539 -5.186 3.613 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.043 -4.453 6.161 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.982 -3.357 5.167 1.00 0.00 H new ATOM 572 N PHE A 36 -3.966 -7.837 3.035 1.00 0.00 N ATOM 573 CA PHE A 36 -3.607 -8.467 1.764 1.00 0.00 C ATOM 574 C PHE A 36 -2.538 -9.561 1.865 1.00 0.00 C ATOM 575 O PHE A 36 -1.601 -9.531 1.072 1.00 0.00 O ATOM 576 CB PHE A 36 -3.087 -7.369 0.820 1.00 0.00 C ATOM 577 CG PHE A 36 -3.989 -6.169 0.619 1.00 0.00 C ATOM 578 CD1 PHE A 36 -5.050 -6.239 -0.299 1.00 0.00 C ATOM 579 CD2 PHE A 36 -3.639 -4.928 1.183 1.00 0.00 C ATOM 580 CE1 PHE A 36 -5.714 -5.074 -0.702 1.00 0.00 C ATOM 581 CE2 PHE A 36 -4.337 -3.765 0.816 1.00 0.00 C ATOM 582 CZ PHE A 36 -5.370 -3.834 -0.132 1.00 0.00 C ATOM 0 H PHE A 36 -3.172 -7.630 3.641 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.508 -8.958 1.398 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.129 -7.016 1.202 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.895 -7.819 -0.154 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.355 -7.196 -0.696 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.833 -4.869 1.899 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.491 -5.127 -1.451 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.078 -2.817 1.264 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.899 -2.939 -0.423 1.00 0.00 H new ATOM 592 N PRO A 37 -2.614 -10.536 2.779 1.00 0.00 N ATOM 593 CA PRO A 37 -1.569 -11.542 2.866 1.00 0.00 C ATOM 594 C PRO A 37 -1.574 -12.476 1.650 1.00 0.00 C ATOM 595 O PRO A 37 -0.559 -12.641 0.980 1.00 0.00 O ATOM 596 CB PRO A 37 -1.834 -12.275 4.186 1.00 0.00 C ATOM 597 CG PRO A 37 -3.336 -12.088 4.427 1.00 0.00 C ATOM 598 CD PRO A 37 -3.635 -10.727 3.795 1.00 0.00 C ATOM 0 HA PRO A 37 -0.572 -11.102 2.857 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.571 -13.330 4.115 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.245 -11.854 5.000 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.919 -12.883 3.962 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.576 -12.098 5.490 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.633 -10.709 3.356 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.600 -9.932 4.540 1.00 0.00 H new ATOM 606 N SER A 38 -2.717 -13.093 1.354 1.00 0.00 N ATOM 607 CA SER A 38 -2.873 -14.040 0.258 1.00 0.00 C ATOM 608 C SER A 38 -2.954 -13.346 -1.102 1.00 0.00 C ATOM 609 O SER A 38 -2.582 -13.918 -2.122 1.00 0.00 O ATOM 610 CB SER A 38 -4.114 -14.883 0.551 1.00 0.00 C ATOM 611 OG SER A 38 -5.201 -14.021 0.837 1.00 0.00 O ATOM 0 H SER A 38 -3.577 -12.943 1.882 1.00 0.00 H new ATOM 0 HA SER A 38 -1.994 -14.681 0.195 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.350 -15.515 -0.305 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.928 -15.546 1.395 1.00 0.00 H new ATOM 0 HG SER A 38 -6.001 -14.555 1.024 1.00 0.00 H new ATOM 617 N LEU A 39 -3.449 -12.108 -1.117 1.00 0.00 N ATOM 618 CA LEU A 39 -3.618 -11.272 -2.280 1.00 0.00 C ATOM 619 C LEU A 39 -2.298 -11.123 -3.051 1.00 0.00 C ATOM 620 O LEU A 39 -2.322 -11.059 -4.278 1.00 0.00 O ATOM 621 CB LEU A 39 -4.216 -9.970 -1.738 1.00 0.00 C ATOM 622 CG LEU A 39 -5.728 -10.051 -1.441 1.00 0.00 C ATOM 623 CD1 LEU A 39 -6.538 -9.801 -2.718 1.00 0.00 C ATOM 624 CD2 LEU A 39 -6.229 -11.325 -0.748 1.00 0.00 C ATOM 0 H LEU A 39 -3.757 -11.646 -0.262 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.287 -11.691 -3.031 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.691 -9.694 -0.824 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.040 -9.173 -2.460 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.888 -9.263 -0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.602 -9.862 -2.491 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.306 -8.810 -3.108 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.282 -10.553 -3.464 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.306 -11.257 -0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.004 -12.191 -1.371 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.733 -11.434 0.216 1.00 0.00 H new ATOM 636 N LEU A 40 -1.145 -11.110 -2.363 1.00 0.00 N ATOM 637 CA LEU A 40 0.179 -11.018 -2.990 1.00 0.00 C ATOM 638 C LEU A 40 0.592 -12.347 -3.644 1.00 0.00 C ATOM 639 O LEU A 40 1.680 -12.863 -3.391 1.00 0.00 O ATOM 640 CB LEU A 40 1.241 -10.625 -1.953 1.00 0.00 C ATOM 641 CG LEU A 40 0.974 -9.326 -1.187 1.00 0.00 C ATOM 642 CD1 LEU A 40 2.178 -9.073 -0.276 1.00 0.00 C ATOM 643 CD2 LEU A 40 0.751 -8.136 -2.129 1.00 0.00 C ATOM 0 H LEU A 40 -1.108 -11.164 -1.345 1.00 0.00 H new ATOM 0 HA LEU A 40 0.113 -10.252 -3.763 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.336 -11.437 -1.232 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.202 -10.535 -2.460 1.00 0.00 H new ATOM 0 HG LEU A 40 0.059 -9.430 -0.604 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.022 -8.153 0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.292 -9.907 0.417 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.079 -8.979 -0.882 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.565 -7.237 -1.542 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.637 -7.990 -2.746 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.108 -8.335 -2.769 1.00 0.00 H new ATOM 655 N LYS A 41 -0.264 -12.896 -4.505 1.00 0.00 N ATOM 656 CA LYS A 41 -0.063 -14.152 -5.217 1.00 0.00 C ATOM 657 C LYS A 41 1.304 -14.195 -5.908 1.00 0.00 C ATOM 658 O LYS A 41 1.913 -15.255 -6.019 1.00 0.00 O ATOM 659 CB LYS A 41 -1.192 -14.331 -6.239 1.00 0.00 C ATOM 660 CG LYS A 41 -2.558 -14.496 -5.555 1.00 0.00 C ATOM 661 CD LYS A 41 -3.720 -14.475 -6.560 1.00 0.00 C ATOM 662 CE LYS A 41 -3.933 -13.065 -7.126 1.00 0.00 C ATOM 663 NZ LYS A 41 -5.112 -12.993 -8.003 1.00 0.00 N ATOM 0 H LYS A 41 -1.155 -12.456 -4.734 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.083 -14.971 -4.498 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.220 -13.468 -6.905 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.987 -15.205 -6.858 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.574 -15.436 -5.004 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.696 -13.697 -4.827 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.514 -15.170 -7.374 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.633 -14.817 -6.073 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.049 -12.359 -6.304 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.047 -12.761 -7.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.160 -12.052 -8.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.038 -13.718 -8.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.972 -13.158 -7.442 1.00 0.00 H new ATOM 677 N GLY A 42 1.785 -13.040 -6.373 1.00 0.00 N ATOM 678 CA GLY A 42 3.074 -12.907 -7.032 1.00 0.00 C ATOM 679 C GLY A 42 4.231 -13.412 -6.165 1.00 0.00 C ATOM 680 O GLY A 42 5.208 -13.927 -6.697 1.00 0.00 O ATOM 0 H GLY A 42 1.276 -12.159 -6.298 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.058 -13.462 -7.970 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.243 -11.860 -7.284 1.00 0.00 H new ATOM 684 N GLY A 43 4.143 -13.254 -4.839 1.00 0.00 N ATOM 685 CA GLY A 43 5.193 -13.685 -3.916 1.00 0.00 C ATOM 686 C GLY A 43 6.110 -12.520 -3.541 1.00 0.00 C ATOM 687 O GLY A 43 6.969 -12.655 -2.675 1.00 0.00 O ATOM 0 H GLY A 43 3.341 -12.824 -4.378 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.741 -14.101 -3.015 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.780 -14.481 -4.374 1.00 0.00 H new ATOM 691 N SER A 44 5.905 -11.376 -4.197 1.00 0.00 N ATOM 692 CA SER A 44 6.562 -10.098 -4.033 1.00 0.00 C ATOM 693 C SER A 44 6.942 -9.818 -2.575 1.00 0.00 C ATOM 694 O SER A 44 6.074 -9.501 -1.765 1.00 0.00 O ATOM 695 CB SER A 44 5.517 -9.098 -4.529 1.00 0.00 C ATOM 696 OG SER A 44 5.104 -9.479 -5.832 1.00 0.00 O ATOM 0 H SER A 44 5.198 -11.328 -4.931 1.00 0.00 H new ATOM 0 HA SER A 44 7.505 -10.048 -4.577 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.662 -9.078 -3.853 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.935 -8.091 -4.544 1.00 0.00 H new ATOM 0 HG SER A 44 4.432 -8.846 -6.160 1.00 0.00 H new ATOM 702 N THR A 45 8.230 -9.930 -2.235 1.00 0.00 N ATOM 703 CA THR A 45 8.681 -9.693 -0.872 1.00 0.00 C ATOM 704 C THR A 45 8.476 -8.224 -0.498 1.00 0.00 C ATOM 705 O THR A 45 8.381 -7.362 -1.369 1.00 0.00 O ATOM 706 CB THR A 45 10.147 -10.113 -0.696 1.00 0.00 C ATOM 707 OG1 THR A 45 10.985 -9.325 -1.511 1.00 0.00 O ATOM 708 CG2 THR A 45 10.356 -11.596 -1.021 1.00 0.00 C ATOM 0 H THR A 45 8.972 -10.183 -2.887 1.00 0.00 H new ATOM 0 HA THR A 45 8.084 -10.305 -0.197 1.00 0.00 H new ATOM 0 HB THR A 45 10.406 -9.957 0.351 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.858 -9.576 -2.450 1.00 0.00 H new ATOM 0 HG21 THR A 45 11.406 -11.854 -0.884 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.743 -12.204 -0.355 1.00 0.00 H new ATOM 0 HG23 THR A 45 10.067 -11.786 -2.055 1.00 0.00 H new ATOM 716 N LEU A 46 8.422 -7.949 0.807 1.00 0.00 N ATOM 717 CA LEU A 46 8.224 -6.624 1.382 1.00 0.00 C ATOM 718 C LEU A 46 9.081 -5.574 0.683 1.00 0.00 C ATOM 719 O LEU A 46 8.588 -4.511 0.330 1.00 0.00 O ATOM 720 CB LEU A 46 8.577 -6.667 2.878 1.00 0.00 C ATOM 721 CG LEU A 46 8.414 -5.315 3.600 1.00 0.00 C ATOM 722 CD1 LEU A 46 6.936 -4.934 3.759 1.00 0.00 C ATOM 723 CD2 LEU A 46 9.092 -5.398 4.970 1.00 0.00 C ATOM 0 H LEU A 46 8.519 -8.675 1.517 1.00 0.00 H new ATOM 0 HA LEU A 46 7.179 -6.344 1.247 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.945 -7.408 3.369 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.608 -7.004 2.988 1.00 0.00 H new ATOM 0 HG LEU A 46 8.885 -4.538 2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.861 -3.975 4.272 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.472 -4.857 2.776 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.424 -5.699 4.342 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.982 -4.446 5.489 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.626 -6.188 5.559 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.151 -5.620 4.839 1.00 0.00 H new ATOM 735 N ASP A 47 10.366 -5.873 0.500 1.00 0.00 N ATOM 736 CA ASP A 47 11.336 -4.981 -0.094 1.00 0.00 C ATOM 737 C ASP A 47 10.981 -4.735 -1.550 1.00 0.00 C ATOM 738 O ASP A 47 10.742 -3.594 -1.914 1.00 0.00 O ATOM 739 CB ASP A 47 12.753 -5.534 0.087 1.00 0.00 C ATOM 740 CG ASP A 47 13.112 -5.614 1.567 1.00 0.00 C ATOM 741 OD1 ASP A 47 13.527 -4.568 2.112 1.00 0.00 O ATOM 742 OD2 ASP A 47 12.923 -6.713 2.133 1.00 0.00 O ATOM 0 H ASP A 47 10.764 -6.772 0.772 1.00 0.00 H new ATOM 0 HA ASP A 47 11.312 -4.017 0.414 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.823 -6.524 -0.364 1.00 0.00 H new ATOM 0 HB3 ASP A 47 13.468 -4.895 -0.432 1.00 0.00 H new ATOM 747 N GLU A 48 10.921 -5.782 -2.378 1.00 0.00 N ATOM 748 CA GLU A 48 10.572 -5.651 -3.792 1.00 0.00 C ATOM 749 C GLU A 48 9.293 -4.821 -3.948 1.00 0.00 C ATOM 750 O GLU A 48 9.221 -3.877 -4.730 1.00 0.00 O ATOM 751 CB GLU A 48 10.331 -7.042 -4.392 1.00 0.00 C ATOM 752 CG GLU A 48 11.589 -7.916 -4.438 1.00 0.00 C ATOM 753 CD GLU A 48 11.232 -9.340 -4.858 1.00 0.00 C ATOM 754 OE1 GLU A 48 10.434 -9.959 -4.115 1.00 0.00 O ATOM 755 OE2 GLU A 48 11.752 -9.781 -5.905 1.00 0.00 O ATOM 0 H GLU A 48 11.113 -6.740 -2.086 1.00 0.00 H new ATOM 0 HA GLU A 48 11.393 -5.155 -4.309 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.565 -7.553 -3.808 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.939 -6.930 -5.403 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.308 -7.493 -5.139 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.067 -7.928 -3.459 1.00 0.00 H new ATOM 762 N LEU A 49 8.278 -5.204 -3.183 1.00 0.00 N ATOM 763 CA LEU A 49 6.963 -4.604 -3.178 1.00 0.00 C ATOM 764 C LEU A 49 7.016 -3.130 -2.793 1.00 0.00 C ATOM 765 O LEU A 49 6.631 -2.268 -3.580 1.00 0.00 O ATOM 766 CB LEU A 49 6.100 -5.451 -2.242 1.00 0.00 C ATOM 767 CG LEU A 49 4.717 -4.875 -1.964 1.00 0.00 C ATOM 768 CD1 LEU A 49 3.925 -4.593 -3.238 1.00 0.00 C ATOM 769 CD2 LEU A 49 3.952 -5.907 -1.134 1.00 0.00 C ATOM 0 H LEU A 49 8.360 -5.977 -2.522 1.00 0.00 H new ATOM 0 HA LEU A 49 6.523 -4.602 -4.175 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.986 -6.445 -2.674 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.626 -5.574 -1.295 1.00 0.00 H new ATOM 0 HG LEU A 49 4.839 -3.925 -1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.949 -4.184 -2.977 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.467 -3.874 -3.852 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.793 -5.520 -3.797 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.953 -5.529 -0.914 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.872 -6.838 -1.695 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.484 -6.090 -0.201 1.00 0.00 H new ATOM 781 N PHE A 50 7.499 -2.817 -1.590 1.00 0.00 N ATOM 782 CA PHE A 50 7.625 -1.465 -1.111 1.00 0.00 C ATOM 783 C PHE A 50 8.498 -0.678 -2.083 1.00 0.00 C ATOM 784 O PHE A 50 8.254 0.500 -2.289 1.00 0.00 O ATOM 785 CB PHE A 50 8.230 -1.508 0.293 1.00 0.00 C ATOM 786 CG PHE A 50 8.682 -0.159 0.776 1.00 0.00 C ATOM 787 CD1 PHE A 50 9.965 0.273 0.415 1.00 0.00 C ATOM 788 CD2 PHE A 50 7.785 0.720 1.403 1.00 0.00 C ATOM 789 CE1 PHE A 50 10.391 1.570 0.749 1.00 0.00 C ATOM 790 CE2 PHE A 50 8.221 2.007 1.766 1.00 0.00 C ATOM 791 CZ PHE A 50 9.532 2.420 1.466 1.00 0.00 C ATOM 0 H PHE A 50 7.815 -3.517 -0.919 1.00 0.00 H new ATOM 0 HA PHE A 50 6.656 -0.969 -1.054 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.493 -1.909 0.989 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.078 -2.193 0.297 1.00 0.00 H new ATOM 0 HD1 PHE A 50 10.627 -0.391 -0.120 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.770 0.411 1.605 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.373 1.911 0.456 1.00 0.00 H new ATOM 0 HE2 PHE A 50 7.548 2.680 2.276 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.878 3.391 1.787 1.00 0.00 H new ATOM 801 N GLU A 51 9.508 -1.301 -2.691 1.00 0.00 N ATOM 802 CA GLU A 51 10.354 -0.592 -3.647 1.00 0.00 C ATOM 803 C GLU A 51 9.573 -0.266 -4.919 1.00 0.00 C ATOM 804 O GLU A 51 9.704 0.841 -5.435 1.00 0.00 O ATOM 805 CB GLU A 51 11.639 -1.371 -3.949 1.00 0.00 C ATOM 806 CG GLU A 51 12.630 -1.289 -2.780 1.00 0.00 C ATOM 807 CD GLU A 51 13.825 -2.209 -3.008 1.00 0.00 C ATOM 808 OE1 GLU A 51 14.792 -1.735 -3.641 1.00 0.00 O ATOM 809 OE2 GLU A 51 13.747 -3.371 -2.553 1.00 0.00 O ATOM 0 H GLU A 51 9.756 -2.279 -2.541 1.00 0.00 H new ATOM 0 HA GLU A 51 10.659 0.351 -3.194 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.395 -2.414 -4.149 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.104 -0.973 -4.851 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.975 -0.262 -2.663 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.127 -1.564 -1.853 1.00 0.00 H new ATOM 816 N GLU A 52 8.750 -1.193 -5.421 1.00 0.00 N ATOM 817 CA GLU A 52 7.927 -0.925 -6.597 1.00 0.00 C ATOM 818 C GLU A 52 7.034 0.266 -6.258 1.00 0.00 C ATOM 819 O GLU A 52 6.867 1.203 -7.033 1.00 0.00 O ATOM 820 CB GLU A 52 7.075 -2.163 -6.930 1.00 0.00 C ATOM 821 CG GLU A 52 5.905 -1.837 -7.878 1.00 0.00 C ATOM 822 CD GLU A 52 5.092 -3.073 -8.261 1.00 0.00 C ATOM 823 OE1 GLU A 52 4.886 -3.924 -7.368 1.00 0.00 O ATOM 824 OE2 GLU A 52 4.670 -3.135 -9.436 1.00 0.00 O ATOM 0 H GLU A 52 8.639 -2.129 -5.031 1.00 0.00 H new ATOM 0 HA GLU A 52 8.544 -0.702 -7.468 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.708 -2.923 -7.388 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.682 -2.589 -6.007 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.249 -1.109 -7.401 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.295 -1.370 -8.782 1.00 0.00 H new ATOM 831 N LEU A 53 6.448 0.183 -5.071 1.00 0.00 N ATOM 832 CA LEU A 53 5.538 1.156 -4.518 1.00 0.00 C ATOM 833 C LEU A 53 6.165 2.527 -4.263 1.00 0.00 C ATOM 834 O LEU A 53 5.546 3.536 -4.582 1.00 0.00 O ATOM 835 CB LEU A 53 5.013 0.578 -3.203 1.00 0.00 C ATOM 836 CG LEU A 53 3.798 -0.325 -3.398 1.00 0.00 C ATOM 837 CD1 LEU A 53 3.603 -1.113 -2.102 1.00 0.00 C ATOM 838 CD2 LEU A 53 2.554 0.511 -3.725 1.00 0.00 C ATOM 0 H LEU A 53 6.607 -0.605 -4.444 1.00 0.00 H new ATOM 0 HA LEU A 53 4.747 1.333 -5.247 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.807 0.011 -2.718 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.749 1.395 -2.532 1.00 0.00 H new ATOM 0 HG LEU A 53 3.954 -1.007 -4.234 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.741 -1.772 -2.203 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.493 -1.709 -1.901 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.436 -0.421 -1.277 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.697 -0.149 -3.861 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.354 1.201 -2.906 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.726 1.076 -4.641 1.00 0.00 H new ATOM 850 N ASP A 54 7.361 2.607 -3.677 1.00 0.00 N ATOM 851 CA ASP A 54 7.994 3.867 -3.304 1.00 0.00 C ATOM 852 C ASP A 54 8.602 4.541 -4.536 1.00 0.00 C ATOM 853 O ASP A 54 9.800 4.808 -4.575 1.00 0.00 O ATOM 854 CB ASP A 54 9.015 3.614 -2.173 1.00 0.00 C ATOM 855 CG ASP A 54 9.532 4.890 -1.504 1.00 0.00 C ATOM 856 OD1 ASP A 54 9.118 5.985 -1.936 1.00 0.00 O ATOM 857 OD2 ASP A 54 10.346 4.772 -0.561 1.00 0.00 O ATOM 0 H ASP A 54 7.922 1.787 -3.447 1.00 0.00 H new ATOM 0 HA ASP A 54 7.253 4.564 -2.914 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.553 2.980 -1.416 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.862 3.060 -2.579 1.00 0.00 H new ATOM 862 N LYS A 55 7.771 4.835 -5.542 1.00 0.00 N ATOM 863 CA LYS A 55 8.203 5.469 -6.786 1.00 0.00 C ATOM 864 C LYS A 55 8.739 6.874 -6.501 1.00 0.00 C ATOM 865 O LYS A 55 9.605 7.379 -7.207 1.00 0.00 O ATOM 866 CB LYS A 55 7.054 5.511 -7.802 1.00 0.00 C ATOM 867 CG LYS A 55 6.521 4.109 -8.126 1.00 0.00 C ATOM 868 CD LYS A 55 5.411 4.124 -9.186 1.00 0.00 C ATOM 869 CE LYS A 55 5.932 4.543 -10.566 1.00 0.00 C ATOM 870 NZ LYS A 55 4.894 4.394 -11.599 1.00 0.00 N ATOM 0 H LYS A 55 6.771 4.636 -5.512 1.00 0.00 H new ATOM 0 HA LYS A 55 9.008 4.876 -7.221 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.244 6.125 -7.408 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.398 5.989 -8.719 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.343 3.485 -8.476 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.139 3.651 -7.214 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.963 3.133 -9.254 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.623 4.809 -8.874 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.267 5.580 -10.531 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.799 3.937 -10.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.277 4.685 -12.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.593 3.400 -11.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.077 4.992 -11.359 1.00 0.00 H new ATOM 884 N ASN A 56 8.216 7.491 -5.444 1.00 0.00 N ATOM 885 CA ASN A 56 8.601 8.804 -4.958 1.00 0.00 C ATOM 886 C ASN A 56 9.998 8.725 -4.331 1.00 0.00 C ATOM 887 O ASN A 56 10.759 9.682 -4.432 1.00 0.00 O ATOM 888 CB ASN A 56 7.543 9.322 -3.969 1.00 0.00 C ATOM 889 CG ASN A 56 7.206 8.305 -2.879 1.00 0.00 C ATOM 890 OD1 ASN A 56 6.811 7.179 -3.164 1.00 0.00 O ATOM 891 ND2 ASN A 56 7.342 8.660 -1.618 1.00 0.00 N ATOM 0 H ASN A 56 7.479 7.066 -4.881 1.00 0.00 H new ATOM 0 HA ASN A 56 8.649 9.515 -5.782 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.904 10.240 -3.505 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.635 9.577 -4.515 1.00 0.00 H new ATOM 0 HD21 ASN A 56 7.119 7.998 -0.875 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.671 9.597 -1.385 1.00 0.00 H new ATOM 898 N GLY A 57 10.354 7.598 -3.704 1.00 0.00 N ATOM 899 CA GLY A 57 11.668 7.357 -3.133 1.00 0.00 C ATOM 900 C GLY A 57 11.968 8.290 -1.969 1.00 0.00 C ATOM 901 O GLY A 57 12.779 9.201 -2.114 1.00 0.00 O ATOM 0 H GLY A 57 9.714 6.813 -3.581 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.731 6.323 -2.793 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.427 7.486 -3.905 1.00 0.00 H new ATOM 905 N ASP A 58 11.338 8.073 -0.807 1.00 0.00 N ATOM 906 CA ASP A 58 11.595 8.944 0.346 1.00 0.00 C ATOM 907 C ASP A 58 11.534 8.232 1.692 1.00 0.00 C ATOM 908 O ASP A 58 11.796 8.861 2.711 1.00 0.00 O ATOM 909 CB ASP A 58 10.675 10.177 0.326 1.00 0.00 C ATOM 910 CG ASP A 58 9.190 9.875 0.521 1.00 0.00 C ATOM 911 OD1 ASP A 58 8.861 8.883 1.209 1.00 0.00 O ATOM 912 OD2 ASP A 58 8.390 10.651 -0.048 1.00 0.00 O ATOM 0 H ASP A 58 10.665 7.324 -0.642 1.00 0.00 H new ATOM 0 HA ASP A 58 12.628 9.273 0.238 1.00 0.00 H new ATOM 0 HB2 ASP A 58 10.997 10.865 1.108 1.00 0.00 H new ATOM 0 HB3 ASP A 58 10.804 10.693 -0.625 1.00 0.00 H new ATOM 917 N GLY A 59 11.186 6.944 1.709 1.00 0.00 N ATOM 918 CA GLY A 59 11.057 6.194 2.949 1.00 0.00 C ATOM 919 C GLY A 59 9.627 5.696 3.102 1.00 0.00 C ATOM 920 O GLY A 59 9.403 4.713 3.810 1.00 0.00 O ATOM 0 H GLY A 59 10.988 6.400 0.869 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.748 5.351 2.949 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.325 6.825 3.796 1.00 0.00 H new ATOM 924 N GLU A 60 8.655 6.344 2.446 1.00 0.00 N ATOM 925 CA GLU A 60 7.283 5.903 2.474 1.00 0.00 C ATOM 926 C GLU A 60 6.685 5.900 1.068 1.00 0.00 C ATOM 927 O GLU A 60 7.206 6.515 0.146 1.00 0.00 O ATOM 928 CB GLU A 60 6.455 6.832 3.361 1.00 0.00 C ATOM 929 CG GLU A 60 7.096 7.334 4.663 1.00 0.00 C ATOM 930 CD GLU A 60 7.743 8.705 4.473 1.00 0.00 C ATOM 931 OE1 GLU A 60 6.968 9.682 4.336 1.00 0.00 O ATOM 932 OE2 GLU A 60 8.992 8.750 4.468 1.00 0.00 O ATOM 0 H GLU A 60 8.812 7.183 1.888 1.00 0.00 H new ATOM 0 HA GLU A 60 7.262 4.889 2.873 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.176 7.702 2.767 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.532 6.314 3.620 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.338 7.393 5.444 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.847 6.619 5.000 1.00 0.00 H new ATOM 939 N VAL A 61 5.557 5.216 0.955 1.00 0.00 N ATOM 940 CA VAL A 61 4.688 5.050 -0.195 1.00 0.00 C ATOM 941 C VAL A 61 3.554 6.054 0.025 1.00 0.00 C ATOM 942 O VAL A 61 3.501 6.684 1.076 1.00 0.00 O ATOM 943 CB VAL A 61 4.174 3.592 -0.146 1.00 0.00 C ATOM 944 CG1 VAL A 61 3.143 3.234 -1.218 1.00 0.00 C ATOM 945 CG2 VAL A 61 5.359 2.627 -0.248 1.00 0.00 C ATOM 0 H VAL A 61 5.189 4.707 1.759 1.00 0.00 H new ATOM 0 HA VAL A 61 5.162 5.222 -1.162 1.00 0.00 H new ATOM 0 HB VAL A 61 3.657 3.498 0.809 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.844 2.192 -1.102 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.269 3.877 -1.111 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.581 3.378 -2.206 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.996 1.600 -0.213 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.885 2.794 -1.188 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.041 2.799 0.585 1.00 0.00 H new ATOM 955 N SER A 62 2.619 6.213 -0.908 1.00 0.00 N ATOM 956 CA SER A 62 1.455 7.068 -0.734 1.00 0.00 C ATOM 957 C SER A 62 0.362 6.563 -1.669 1.00 0.00 C ATOM 958 O SER A 62 0.638 5.736 -2.542 1.00 0.00 O ATOM 959 CB SER A 62 1.758 8.549 -0.964 1.00 0.00 C ATOM 960 OG SER A 62 1.963 8.792 -2.331 1.00 0.00 O ATOM 0 H SER A 62 2.651 5.746 -1.814 1.00 0.00 H new ATOM 0 HA SER A 62 1.125 7.010 0.303 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.932 9.158 -0.598 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.643 8.839 -0.398 1.00 0.00 H new ATOM 0 HG SER A 62 2.871 8.519 -2.579 1.00 0.00 H new ATOM 966 N PHE A 63 -0.868 7.048 -1.495 1.00 0.00 N ATOM 967 CA PHE A 63 -1.986 6.648 -2.338 1.00 0.00 C ATOM 968 C PHE A 63 -1.639 6.839 -3.814 1.00 0.00 C ATOM 969 O PHE A 63 -1.980 5.993 -4.637 1.00 0.00 O ATOM 970 CB PHE A 63 -3.261 7.370 -1.913 1.00 0.00 C ATOM 971 CG PHE A 63 -4.483 7.045 -2.745 1.00 0.00 C ATOM 972 CD1 PHE A 63 -5.238 5.897 -2.442 1.00 0.00 C ATOM 973 CD2 PHE A 63 -4.796 7.803 -3.890 1.00 0.00 C ATOM 974 CE1 PHE A 63 -6.372 5.579 -3.212 1.00 0.00 C ATOM 975 CE2 PHE A 63 -5.899 7.447 -4.689 1.00 0.00 C ATOM 976 CZ PHE A 63 -6.742 6.395 -4.292 1.00 0.00 C ATOM 0 H PHE A 63 -1.112 7.724 -0.771 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.180 5.584 -2.206 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.472 7.123 -0.872 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.085 8.445 -1.957 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.947 5.261 -1.619 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.190 8.657 -4.155 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.959 4.705 -2.971 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.097 7.982 -5.606 1.00 0.00 H new ATOM 0 HZ PHE A 63 -7.670 6.216 -4.815 1.00 0.00 H new ATOM 986 N GLU A 64 -0.944 7.938 -4.128 1.00 0.00 N ATOM 987 CA GLU A 64 -0.495 8.298 -5.466 1.00 0.00 C ATOM 988 C GLU A 64 0.112 7.079 -6.165 1.00 0.00 C ATOM 989 O GLU A 64 -0.441 6.555 -7.130 1.00 0.00 O ATOM 990 CB GLU A 64 0.522 9.450 -5.347 1.00 0.00 C ATOM 991 CG GLU A 64 0.826 10.085 -6.709 1.00 0.00 C ATOM 992 CD GLU A 64 1.866 11.192 -6.573 1.00 0.00 C ATOM 993 OE1 GLU A 64 3.067 10.842 -6.569 1.00 0.00 O ATOM 994 OE2 GLU A 64 1.442 12.361 -6.461 1.00 0.00 O ATOM 0 H GLU A 64 -0.671 8.624 -3.425 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.337 8.631 -6.073 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.132 10.210 -4.670 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.446 9.075 -4.907 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.189 9.322 -7.398 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.090 10.492 -7.138 1.00 0.00 H new ATOM 1001 N GLU A 65 1.256 6.620 -5.655 1.00 0.00 N ATOM 1002 CA GLU A 65 1.958 5.463 -6.192 1.00 0.00 C ATOM 1003 C GLU A 65 1.069 4.231 -6.052 1.00 0.00 C ATOM 1004 O GLU A 65 0.978 3.425 -6.975 1.00 0.00 O ATOM 1005 CB GLU A 65 3.287 5.181 -5.470 1.00 0.00 C ATOM 1006 CG GLU A 65 3.657 6.096 -4.296 1.00 0.00 C ATOM 1007 CD GLU A 65 4.254 7.443 -4.696 1.00 0.00 C ATOM 1008 OE1 GLU A 65 4.874 7.517 -5.778 1.00 0.00 O ATOM 1009 OE2 GLU A 65 4.082 8.380 -3.887 1.00 0.00 O ATOM 0 H GLU A 65 1.721 7.046 -4.853 1.00 0.00 H new ATOM 0 HA GLU A 65 2.184 5.683 -7.235 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.260 4.155 -5.103 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.089 5.235 -6.206 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.764 6.274 -3.697 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.370 5.574 -3.658 1.00 0.00 H new ATOM 1016 N PHE A 66 0.434 4.081 -4.883 1.00 0.00 N ATOM 1017 CA PHE A 66 -0.424 2.940 -4.595 1.00 0.00 C ATOM 1018 C PHE A 66 -1.407 2.611 -5.729 1.00 0.00 C ATOM 1019 O PHE A 66 -1.722 1.442 -5.927 1.00 0.00 O ATOM 1020 CB PHE A 66 -1.131 3.141 -3.256 1.00 0.00 C ATOM 1021 CG PHE A 66 -1.802 1.903 -2.711 1.00 0.00 C ATOM 1022 CD1 PHE A 66 -1.076 0.995 -1.920 1.00 0.00 C ATOM 1023 CD2 PHE A 66 -3.145 1.642 -3.028 1.00 0.00 C ATOM 1024 CE1 PHE A 66 -1.705 -0.156 -1.419 1.00 0.00 C ATOM 1025 CE2 PHE A 66 -3.736 0.436 -2.619 1.00 0.00 C ATOM 1026 CZ PHE A 66 -3.027 -0.453 -1.793 1.00 0.00 C ATOM 0 H PHE A 66 0.505 4.749 -4.116 1.00 0.00 H new ATOM 0 HA PHE A 66 0.219 2.063 -4.521 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.404 3.497 -2.525 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.880 3.925 -3.369 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.036 1.183 -1.698 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.721 2.366 -3.584 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.173 -0.813 -0.747 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.738 0.191 -2.940 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.497 -1.362 -1.447 1.00 0.00 H new ATOM 1036 N GLN A 67 -1.889 3.594 -6.502 1.00 0.00 N ATOM 1037 CA GLN A 67 -2.795 3.296 -7.615 1.00 0.00 C ATOM 1038 C GLN A 67 -2.181 2.322 -8.624 1.00 0.00 C ATOM 1039 O GLN A 67 -2.894 1.531 -9.234 1.00 0.00 O ATOM 1040 CB GLN A 67 -3.391 4.559 -8.258 1.00 0.00 C ATOM 1041 CG GLN A 67 -3.985 5.519 -7.226 1.00 0.00 C ATOM 1042 CD GLN A 67 -4.852 4.762 -6.234 1.00 0.00 C ATOM 1043 OE1 GLN A 67 -5.981 4.386 -6.520 1.00 0.00 O ATOM 1044 NE2 GLN A 67 -4.329 4.511 -5.048 1.00 0.00 N ATOM 0 H GLN A 67 -1.671 4.583 -6.380 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.648 2.771 -7.185 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.615 5.075 -8.824 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -4.166 4.270 -8.968 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.184 6.036 -6.698 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.579 6.282 -7.729 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.386 4.832 -4.828 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.868 3.996 -4.352 1.00 0.00 H new ATOM 1053 N VAL A 68 -0.859 2.335 -8.785 1.00 0.00 N ATOM 1054 CA VAL A 68 -0.186 1.384 -9.658 1.00 0.00 C ATOM 1055 C VAL A 68 -0.274 0.003 -9.000 1.00 0.00 C ATOM 1056 O VAL A 68 -0.375 -1.003 -9.691 1.00 0.00 O ATOM 1057 CB VAL A 68 1.270 1.823 -9.900 1.00 0.00 C ATOM 1058 CG1 VAL A 68 1.997 0.853 -10.841 1.00 0.00 C ATOM 1059 CG2 VAL A 68 1.312 3.230 -10.512 1.00 0.00 C ATOM 0 H VAL A 68 -0.235 2.995 -8.321 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.664 1.342 -10.637 1.00 0.00 H new ATOM 0 HB VAL A 68 1.773 1.824 -8.933 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.022 1.191 -10.991 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.005 -0.144 -10.401 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.481 0.822 -11.801 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.349 3.524 -10.676 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.780 3.229 -11.463 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.838 3.937 -9.832 1.00 0.00 H new ATOM 1069 N LEU A 69 -0.257 -0.061 -7.667 1.00 0.00 N ATOM 1070 CA LEU A 69 -0.354 -1.319 -6.950 1.00 0.00 C ATOM 1071 C LEU A 69 -1.786 -1.827 -6.970 1.00 0.00 C ATOM 1072 O LEU A 69 -1.954 -3.031 -7.053 1.00 0.00 O ATOM 1073 CB LEU A 69 0.174 -1.218 -5.526 1.00 0.00 C ATOM 1074 CG LEU A 69 0.321 -2.626 -4.918 1.00 0.00 C ATOM 1075 CD1 LEU A 69 1.718 -3.179 -5.180 1.00 0.00 C ATOM 1076 CD2 LEU A 69 -0.021 -2.620 -3.435 1.00 0.00 C ATOM 0 H LEU A 69 -0.176 0.757 -7.063 1.00 0.00 H new ATOM 0 HA LEU A 69 0.282 -2.039 -7.465 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.138 -0.709 -5.522 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.505 -0.620 -4.919 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.392 -3.290 -5.406 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.803 -4.174 -4.743 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.890 -3.238 -6.255 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.460 -2.520 -4.729 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.091 -3.626 -3.032 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.651 -1.941 -2.909 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.050 -2.288 -3.300 1.00 0.00 H new ATOM 1088 N VAL A 70 -2.819 -0.977 -6.909 1.00 0.00 N ATOM 1089 CA VAL A 70 -4.209 -1.438 -7.040 1.00 0.00 C ATOM 1090 C VAL A 70 -4.302 -2.498 -8.156 1.00 0.00 C ATOM 1091 O VAL A 70 -4.972 -3.516 -8.005 1.00 0.00 O ATOM 1092 CB VAL A 70 -5.152 -0.250 -7.306 1.00 0.00 C ATOM 1093 CG1 VAL A 70 -6.555 -0.727 -7.705 1.00 0.00 C ATOM 1094 CG2 VAL A 70 -5.254 0.648 -6.066 1.00 0.00 C ATOM 0 H VAL A 70 -2.721 0.029 -6.771 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.525 -1.899 -6.104 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.729 0.320 -8.133 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.195 0.136 -7.885 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.491 -1.327 -8.613 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.977 -1.330 -6.901 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.925 1.481 -6.275 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.644 0.069 -5.229 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.266 1.032 -5.813 1.00 0.00 H new ATOM 1104 N LYS A 71 -3.593 -2.265 -9.264 1.00 0.00 N ATOM 1105 CA LYS A 71 -3.518 -3.173 -10.398 1.00 0.00 C ATOM 1106 C LYS A 71 -2.868 -4.527 -10.043 1.00 0.00 C ATOM 1107 O LYS A 71 -3.284 -5.563 -10.553 1.00 0.00 O ATOM 1108 CB LYS A 71 -2.722 -2.468 -11.508 1.00 0.00 C ATOM 1109 CG LYS A 71 -2.714 -3.293 -12.797 1.00 0.00 C ATOM 1110 CD LYS A 71 -1.978 -2.537 -13.911 1.00 0.00 C ATOM 1111 CE LYS A 71 -2.013 -3.308 -15.237 1.00 0.00 C ATOM 1112 NZ LYS A 71 -1.327 -4.608 -15.139 1.00 0.00 N ATOM 0 H LYS A 71 -3.043 -1.416 -9.395 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.531 -3.408 -10.726 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.157 -1.488 -11.704 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.698 -2.301 -11.174 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.230 -4.253 -12.619 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.737 -3.505 -13.107 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.433 -1.556 -14.048 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.943 -2.369 -13.615 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.049 -3.467 -15.537 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.544 -2.709 -16.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.255 -5.035 -16.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.373 -4.469 -14.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.868 -5.240 -14.514 1.00 0.00 H new ATOM 1126 N LYS A 72 -1.834 -4.533 -9.198 1.00 0.00 N ATOM 1127 CA LYS A 72 -1.036 -5.662 -8.799 1.00 0.00 C ATOM 1128 C LYS A 72 -1.482 -6.286 -7.474 1.00 0.00 C ATOM 1129 O LYS A 72 -0.965 -7.327 -7.078 1.00 0.00 O ATOM 1130 CB LYS A 72 0.395 -5.175 -8.597 1.00 0.00 C ATOM 1131 CG LYS A 72 0.997 -4.260 -9.669 1.00 0.00 C ATOM 1132 CD LYS A 72 0.963 -4.888 -11.064 1.00 0.00 C ATOM 1133 CE LYS A 72 1.660 -3.987 -12.091 1.00 0.00 C ATOM 1134 NZ LYS A 72 3.112 -3.891 -11.851 1.00 0.00 N ATOM 0 H LYS A 72 -1.520 -3.673 -8.748 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.136 -6.416 -9.580 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.438 -4.648 -7.644 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.037 -6.051 -8.506 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.450 -3.317 -9.685 1.00 0.00 H new ATOM 0 HG3 LYS A 72 2.028 -4.026 -9.405 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.451 -5.862 -11.040 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.071 -5.057 -11.365 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.484 -4.377 -13.093 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.221 -2.990 -12.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.560 -3.372 -12.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.284 -3.387 -10.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.518 -4.847 -11.793 1.00 0.00 H new ATOM 1148 N ILE A 73 -2.381 -5.625 -6.749 1.00 0.00 N ATOM 1149 CA ILE A 73 -2.752 -5.993 -5.395 1.00 0.00 C ATOM 1150 C ILE A 73 -3.216 -7.437 -5.327 1.00 0.00 C ATOM 1151 O ILE A 73 -2.880 -8.159 -4.395 1.00 0.00 O ATOM 1152 CB ILE A 73 -3.800 -4.992 -4.858 1.00 0.00 C ATOM 1153 CG1 ILE A 73 -3.321 -4.335 -3.564 1.00 0.00 C ATOM 1154 CG2 ILE A 73 -5.222 -5.545 -4.681 1.00 0.00 C ATOM 1155 CD1 ILE A 73 -2.787 -5.314 -2.516 1.00 0.00 C ATOM 0 H ILE A 73 -2.878 -4.805 -7.097 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.878 -5.933 -4.746 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.885 -4.248 -5.650 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.537 -3.617 -3.804 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.147 -3.772 -3.130 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.873 -4.759 -4.300 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.599 -5.894 -5.642 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.204 -6.375 -3.975 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.469 -4.762 -1.631 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.573 -6.018 -2.242 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.938 -5.860 -2.927 1.00 0.00 H new ATOM 1167 N SER A 74 -3.968 -7.849 -6.339 1.00 0.00 N ATOM 1168 CA SER A 74 -4.450 -9.205 -6.491 1.00 0.00 C ATOM 1169 C SER A 74 -3.657 -9.793 -7.655 1.00 0.00 C ATOM 1170 O SER A 74 -4.240 -10.203 -8.657 1.00 0.00 O ATOM 1171 CB SER A 74 -5.957 -9.149 -6.755 1.00 0.00 C ATOM 1172 OG SER A 74 -6.215 -8.323 -7.872 1.00 0.00 O ATOM 0 H SER A 74 -4.264 -7.229 -7.093 1.00 0.00 H new ATOM 0 HA SER A 74 -4.310 -9.830 -5.609 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.342 -10.153 -6.936 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.475 -8.763 -5.877 1.00 0.00 H new ATOM 0 HG SER A 74 -5.764 -8.689 -8.661 1.00 0.00 H new ATOM 1178 N GLN A 75 -2.326 -9.803 -7.546 1.00 0.00 N ATOM 1179 CA GLN A 75 -1.419 -10.268 -8.586 1.00 0.00 C ATOM 1180 C GLN A 75 -0.119 -10.777 -7.966 1.00 0.00 C ATOM 1181 O GLN A 75 0.015 -10.882 -6.746 1.00 0.00 O ATOM 1182 CB GLN A 75 -1.136 -9.105 -9.556 1.00 0.00 C ATOM 1183 CG GLN A 75 -0.816 -9.583 -10.979 1.00 0.00 C ATOM 1184 CD GLN A 75 -2.040 -9.976 -11.813 1.00 0.00 C ATOM 1185 OE1 GLN A 75 -1.922 -10.208 -13.007 1.00 0.00 O ATOM 1186 NE2 GLN A 75 -3.234 -10.064 -11.242 1.00 0.00 N ATOM 0 H GLN A 75 -1.842 -9.479 -6.709 1.00 0.00 H new ATOM 0 HA GLN A 75 -1.877 -11.093 -9.132 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -2.002 -8.444 -9.586 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -0.299 -8.518 -9.178 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.277 -8.792 -11.501 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -0.145 -10.440 -10.918 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -3.338 -9.871 -10.246 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -4.048 -10.324 -11.799 1.00 0.00 H new TER 1195 GLN A 75