USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 614 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 116 TYR OH : rot 5:sc= -1.35! USER MOD Set 1.2: A 160 HIS : no HD1:sc= -8.22! C(o=-9.6!,f=-12!) USER MOD Set 2.1: A 105 SER OG : rot -65:sc= 0.467 USER MOD Set 2.2: A 108 THR OG1 : rot 82:sc= 0.296! USER MOD Set 2.3: A 163 ASN : amide:sc= -2.08 K(o=-1.3,f=-3!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -149:sc= -7.62! (180deg=-9.18!) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0.0594 USER MOD Single : A 110 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.0592) USER MOD Single : A 111 LYS NZ :NH3+ -142:sc= -0.277 (180deg=-1.8!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 61:sc= 1.07 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 CYS SG : rot -149:sc= -4.99! USER MOD Single : A 127 THR OG1 : rot -168:sc= -1.66! USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 THR OG1 : rot 180:sc= -1.81! USER MOD Single : A 137 SER OG : rot -82:sc= 1.41 USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 SER OG : rot 180:sc= -0.423 USER MOD Single : A 150 SER OG : rot 44:sc= -0.892 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 MET CE :methyl -148:sc= -3.15! (180deg=-5.2!) USER MOD Single : A 157 GLN : amide:sc= -0.0325 X(o=-0.032,f=0) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 LYS NZ :NH3+ -146:sc= -0.191 (180deg=-1.52!) USER MOD Single : A 170 LYS NZ :NH3+ 138:sc= -0.0526 (180deg=-0.546) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 98 76.952 -7.050 3.530 1.00 0.00 N ATOM 2 CA LYS A 98 76.744 -6.009 2.482 1.00 0.00 C ATOM 3 C LYS A 98 75.342 -6.135 1.884 1.00 0.00 C ATOM 4 O LYS A 98 74.806 -7.218 1.758 1.00 0.00 O ATOM 5 CB LYS A 98 77.806 -6.296 1.418 1.00 0.00 C ATOM 6 CG LYS A 98 79.176 -6.440 2.083 1.00 0.00 C ATOM 7 CD LYS A 98 80.123 -7.187 1.140 1.00 0.00 C ATOM 8 CE LYS A 98 80.744 -6.198 0.152 1.00 0.00 C ATOM 9 NZ LYS A 98 80.555 -6.823 -1.186 1.00 0.00 N ATOM 0 HA LYS A 98 76.831 -4.999 2.882 1.00 0.00 H new ATOM 0 HB2 LYS A 98 77.556 -7.209 0.877 1.00 0.00 H new ATOM 0 HB3 LYS A 98 77.829 -5.488 0.686 1.00 0.00 H new ATOM 0 HG2 LYS A 98 79.582 -5.457 2.321 1.00 0.00 H new ATOM 0 HG3 LYS A 98 79.081 -6.981 3.024 1.00 0.00 H new ATOM 0 HD2 LYS A 98 80.905 -7.685 1.713 1.00 0.00 H new ATOM 0 HD3 LYS A 98 79.579 -7.963 0.601 1.00 0.00 H new ATOM 0 HE2 LYS A 98 80.255 -5.226 0.206 1.00 0.00 H new ATOM 0 HE3 LYS A 98 81.800 -6.036 0.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 80.956 -6.203 -1.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 81.037 -7.744 -1.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 79.540 -6.959 -1.365 1.00 0.00 H new ATOM 23 N MET A 99 74.743 -5.038 1.510 1.00 0.00 N ATOM 24 CA MET A 99 73.378 -5.104 0.919 1.00 0.00 C ATOM 25 C MET A 99 73.228 -4.067 -0.196 1.00 0.00 C ATOM 26 O MET A 99 74.104 -3.257 -0.431 1.00 0.00 O ATOM 27 CB MET A 99 72.425 -4.781 2.068 1.00 0.00 C ATOM 28 CG MET A 99 71.848 -6.071 2.649 1.00 0.00 C ATOM 29 SD MET A 99 70.252 -5.716 3.430 1.00 0.00 S ATOM 30 CE MET A 99 69.334 -5.302 1.925 1.00 0.00 C ATOM 0 H MET A 99 75.139 -4.101 1.588 1.00 0.00 H new ATOM 0 HA MET A 99 73.174 -6.080 0.479 1.00 0.00 H new ATOM 0 HB2 MET A 99 72.953 -4.228 2.844 1.00 0.00 H new ATOM 0 HB3 MET A 99 71.618 -4.140 1.713 1.00 0.00 H new ATOM 0 HG2 MET A 99 71.723 -6.814 1.861 1.00 0.00 H new ATOM 0 HG3 MET A 99 72.537 -6.494 3.380 1.00 0.00 H new ATOM 0 HE1 MET A 99 68.566 -4.564 2.158 1.00 0.00 H new ATOM 0 HE2 MET A 99 70.018 -4.891 1.183 1.00 0.00 H new ATOM 0 HE3 MET A 99 68.864 -6.201 1.527 1.00 0.00 H new ATOM 40 N PHE A 100 72.123 -4.096 -0.884 1.00 0.00 N ATOM 41 CA PHE A 100 71.897 -3.127 -1.994 1.00 0.00 C ATOM 42 C PHE A 100 70.613 -2.322 -1.754 1.00 0.00 C ATOM 43 O PHE A 100 69.585 -2.864 -1.403 1.00 0.00 O ATOM 44 CB PHE A 100 71.758 -4.009 -3.236 1.00 0.00 C ATOM 45 CG PHE A 100 71.807 -3.164 -4.486 1.00 0.00 C ATOM 46 CD1 PHE A 100 70.845 -2.170 -4.705 1.00 0.00 C ATOM 47 CD2 PHE A 100 72.817 -3.381 -5.430 1.00 0.00 C ATOM 48 CE1 PHE A 100 70.896 -1.394 -5.869 1.00 0.00 C ATOM 49 CE2 PHE A 100 72.866 -2.604 -6.592 1.00 0.00 C ATOM 50 CZ PHE A 100 71.907 -1.611 -6.812 1.00 0.00 C ATOM 0 H PHE A 100 71.360 -4.754 -0.725 1.00 0.00 H new ATOM 0 HA PHE A 100 72.702 -2.398 -2.086 1.00 0.00 H new ATOM 0 HB2 PHE A 100 72.559 -4.748 -3.257 1.00 0.00 H new ATOM 0 HB3 PHE A 100 70.818 -4.559 -3.197 1.00 0.00 H new ATOM 0 HD1 PHE A 100 70.065 -2.002 -3.977 1.00 0.00 H new ATOM 0 HD2 PHE A 100 73.558 -4.148 -5.261 1.00 0.00 H new ATOM 0 HE1 PHE A 100 70.155 -0.627 -6.039 1.00 0.00 H new ATOM 0 HE2 PHE A 100 73.646 -2.771 -7.320 1.00 0.00 H new ATOM 0 HZ PHE A 100 71.946 -1.011 -7.709 1.00 0.00 H new ATOM 60 N ILE A 101 70.666 -1.031 -1.952 1.00 0.00 N ATOM 61 CA ILE A 101 69.449 -0.184 -1.749 1.00 0.00 C ATOM 62 C ILE A 101 69.127 0.576 -3.039 1.00 0.00 C ATOM 63 O ILE A 101 69.816 1.507 -3.409 1.00 0.00 O ATOM 64 CB ILE A 101 69.821 0.788 -0.628 1.00 0.00 C ATOM 65 CG1 ILE A 101 70.548 0.034 0.488 1.00 0.00 C ATOM 66 CG2 ILE A 101 68.547 1.413 -0.063 1.00 0.00 C ATOM 67 CD1 ILE A 101 69.682 -1.133 0.964 1.00 0.00 C ATOM 0 H ILE A 101 71.501 -0.524 -2.246 1.00 0.00 H new ATOM 0 HA ILE A 101 68.568 -0.773 -1.494 1.00 0.00 H new ATOM 0 HB ILE A 101 70.473 1.566 -1.024 1.00 0.00 H new ATOM 0 HG12 ILE A 101 71.508 -0.335 0.126 1.00 0.00 H new ATOM 0 HG13 ILE A 101 70.758 0.707 1.319 1.00 0.00 H new ATOM 0 HG21 ILE A 101 68.806 2.107 0.737 1.00 0.00 H new ATOM 0 HG22 ILE A 101 68.023 1.950 -0.854 1.00 0.00 H new ATOM 0 HG23 ILE A 101 67.901 0.629 0.332 1.00 0.00 H new ATOM 0 HD11 ILE A 101 70.200 -1.670 1.759 1.00 0.00 H new ATOM 0 HD12 ILE A 101 68.733 -0.752 1.342 1.00 0.00 H new ATOM 0 HD13 ILE A 101 69.495 -1.810 0.131 1.00 0.00 H new ATOM 79 N GLY A 102 68.096 0.179 -3.738 1.00 0.00 N ATOM 80 CA GLY A 102 67.754 0.879 -5.012 1.00 0.00 C ATOM 81 C GLY A 102 66.558 1.814 -4.812 1.00 0.00 C ATOM 82 O GLY A 102 65.473 1.389 -4.475 1.00 0.00 O ATOM 0 H GLY A 102 67.480 -0.594 -3.485 1.00 0.00 H new ATOM 0 HA2 GLY A 102 68.614 1.450 -5.361 1.00 0.00 H new ATOM 0 HA3 GLY A 102 67.523 0.146 -5.785 1.00 0.00 H new ATOM 86 N GLY A 103 66.746 3.087 -5.036 1.00 0.00 N ATOM 87 CA GLY A 103 65.616 4.048 -4.873 1.00 0.00 C ATOM 88 C GLY A 103 66.042 5.208 -3.971 1.00 0.00 C ATOM 89 O GLY A 103 65.340 5.581 -3.053 1.00 0.00 O ATOM 0 H GLY A 103 67.632 3.503 -5.324 1.00 0.00 H new ATOM 0 HA2 GLY A 103 65.308 4.428 -5.847 1.00 0.00 H new ATOM 0 HA3 GLY A 103 64.754 3.539 -4.442 1.00 0.00 H new ATOM 93 N LEU A 104 67.187 5.786 -4.224 1.00 0.00 N ATOM 94 CA LEU A 104 67.648 6.923 -3.376 1.00 0.00 C ATOM 95 C LEU A 104 67.163 8.256 -3.961 1.00 0.00 C ATOM 96 O LEU A 104 66.700 8.320 -5.083 1.00 0.00 O ATOM 97 CB LEU A 104 69.177 6.850 -3.402 1.00 0.00 C ATOM 98 CG LEU A 104 69.686 6.064 -2.192 1.00 0.00 C ATOM 99 CD1 LEU A 104 69.069 6.629 -0.909 1.00 0.00 C ATOM 100 CD2 LEU A 104 69.295 4.591 -2.343 1.00 0.00 C ATOM 0 H LEU A 104 67.820 5.521 -4.978 1.00 0.00 H new ATOM 0 HA LEU A 104 67.256 6.861 -2.361 1.00 0.00 H new ATOM 0 HB2 LEU A 104 69.510 6.371 -4.323 1.00 0.00 H new ATOM 0 HB3 LEU A 104 69.597 7.856 -3.395 1.00 0.00 H new ATOM 0 HG LEU A 104 70.771 6.151 -2.135 1.00 0.00 H new ATOM 0 HD11 LEU A 104 69.435 6.066 -0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 104 69.349 7.677 -0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 104 67.983 6.547 -0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 104 69.656 4.029 -1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 104 68.210 4.507 -2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 104 69.740 4.188 -3.253 1.00 0.00 H new ATOM 112 N SER A 105 67.271 9.320 -3.210 1.00 0.00 N ATOM 113 CA SER A 105 66.821 10.649 -3.722 1.00 0.00 C ATOM 114 C SER A 105 67.979 11.363 -4.431 1.00 0.00 C ATOM 115 O SER A 105 69.106 11.339 -3.982 1.00 0.00 O ATOM 116 CB SER A 105 66.387 11.424 -2.478 1.00 0.00 C ATOM 117 OG SER A 105 67.357 12.421 -2.181 1.00 0.00 O ATOM 0 H SER A 105 67.651 9.327 -2.264 1.00 0.00 H new ATOM 0 HA SER A 105 66.013 10.563 -4.449 1.00 0.00 H new ATOM 0 HB2 SER A 105 65.414 11.886 -2.645 1.00 0.00 H new ATOM 0 HB3 SER A 105 66.277 10.745 -1.633 1.00 0.00 H new ATOM 0 HG SER A 105 68.205 11.992 -1.942 1.00 0.00 H new ATOM 123 N TRP A 106 67.713 11.999 -5.537 1.00 0.00 N ATOM 124 CA TRP A 106 68.805 12.707 -6.270 1.00 0.00 C ATOM 125 C TRP A 106 69.676 13.511 -5.300 1.00 0.00 C ATOM 126 O TRP A 106 70.813 13.821 -5.592 1.00 0.00 O ATOM 127 CB TRP A 106 68.089 13.637 -7.249 1.00 0.00 C ATOM 128 CG TRP A 106 67.374 12.825 -8.281 1.00 0.00 C ATOM 129 CD1 TRP A 106 67.974 12.048 -9.213 1.00 0.00 C ATOM 130 CD2 TRP A 106 65.940 12.698 -8.503 1.00 0.00 C ATOM 131 NE1 TRP A 106 66.999 11.454 -9.993 1.00 0.00 N ATOM 132 CE2 TRP A 106 65.729 11.823 -9.596 1.00 0.00 C ATOM 133 CE3 TRP A 106 64.813 13.252 -7.870 1.00 0.00 C ATOM 134 CZ2 TRP A 106 64.445 11.510 -10.043 1.00 0.00 C ATOM 135 CZ3 TRP A 106 63.520 12.939 -8.318 1.00 0.00 C ATOM 136 CH2 TRP A 106 63.335 12.070 -9.402 1.00 0.00 C ATOM 0 H TRP A 106 66.790 12.061 -5.966 1.00 0.00 H new ATOM 0 HA TRP A 106 69.471 12.011 -6.780 1.00 0.00 H new ATOM 0 HB2 TRP A 106 67.380 14.269 -6.714 1.00 0.00 H new ATOM 0 HB3 TRP A 106 68.809 14.301 -7.728 1.00 0.00 H new ATOM 0 HD1 TRP A 106 69.039 11.914 -9.328 1.00 0.00 H new ATOM 0 HE1 TRP A 106 67.194 10.820 -10.768 1.00 0.00 H new ATOM 0 HE3 TRP A 106 64.943 13.923 -7.034 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 64.309 10.840 -10.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 62.662 13.371 -7.824 1.00 0.00 H new ATOM 0 HH2 TRP A 106 62.338 11.833 -9.742 1.00 0.00 H new ATOM 147 N ASP A 107 69.156 13.858 -4.156 1.00 0.00 N ATOM 148 CA ASP A 107 69.965 14.650 -3.188 1.00 0.00 C ATOM 149 C ASP A 107 70.242 13.846 -1.910 1.00 0.00 C ATOM 150 O ASP A 107 70.236 14.386 -0.821 1.00 0.00 O ATOM 151 CB ASP A 107 69.103 15.871 -2.872 1.00 0.00 C ATOM 152 CG ASP A 107 69.997 17.099 -2.696 1.00 0.00 C ATOM 153 OD1 ASP A 107 71.204 16.947 -2.786 1.00 0.00 O ATOM 154 OD2 ASP A 107 69.460 18.173 -2.474 1.00 0.00 O ATOM 0 H ASP A 107 68.210 13.629 -3.850 1.00 0.00 H new ATOM 0 HA ASP A 107 70.939 14.919 -3.597 1.00 0.00 H new ATOM 0 HB2 ASP A 107 68.388 16.042 -3.677 1.00 0.00 H new ATOM 0 HB3 ASP A 107 68.526 15.696 -1.964 1.00 0.00 H new ATOM 159 N THR A 108 70.495 12.566 -2.021 1.00 0.00 N ATOM 160 CA THR A 108 70.780 11.770 -0.786 1.00 0.00 C ATOM 161 C THR A 108 72.274 11.835 -0.454 1.00 0.00 C ATOM 162 O THR A 108 73.091 12.170 -1.287 1.00 0.00 O ATOM 163 CB THR A 108 70.364 10.328 -1.096 1.00 0.00 C ATOM 164 OG1 THR A 108 69.218 10.335 -1.932 1.00 0.00 O ATOM 165 CG2 THR A 108 70.026 9.607 0.209 1.00 0.00 C ATOM 0 H THR A 108 70.517 12.044 -2.897 1.00 0.00 H new ATOM 0 HA THR A 108 70.235 12.159 0.074 1.00 0.00 H new ATOM 0 HB THR A 108 71.183 9.815 -1.600 1.00 0.00 H new ATOM 0 HG1 THR A 108 69.493 10.468 -2.863 1.00 0.00 H new ATOM 0 HG21 THR A 108 69.730 8.581 -0.008 1.00 0.00 H new ATOM 0 HG22 THR A 108 70.901 9.602 0.859 1.00 0.00 H new ATOM 0 HG23 THR A 108 69.206 10.123 0.708 1.00 0.00 H new ATOM 173 N THR A 109 72.631 11.514 0.756 1.00 0.00 N ATOM 174 CA THR A 109 74.066 11.553 1.150 1.00 0.00 C ATOM 175 C THR A 109 74.394 10.352 2.037 1.00 0.00 C ATOM 176 O THR A 109 73.534 9.805 2.701 1.00 0.00 O ATOM 177 CB THR A 109 74.228 12.855 1.935 1.00 0.00 C ATOM 178 OG1 THR A 109 73.429 12.798 3.109 1.00 0.00 O ATOM 179 CG2 THR A 109 73.788 14.037 1.068 1.00 0.00 C ATOM 0 H THR A 109 71.988 11.225 1.493 1.00 0.00 H new ATOM 0 HA THR A 109 74.734 11.512 0.290 1.00 0.00 H new ATOM 0 HB THR A 109 75.274 12.986 2.213 1.00 0.00 H new ATOM 0 HG1 THR A 109 73.532 13.631 3.615 1.00 0.00 H new ATOM 0 HG21 THR A 109 73.904 14.964 1.630 1.00 0.00 H new ATOM 0 HG22 THR A 109 74.403 14.078 0.169 1.00 0.00 H new ATOM 0 HG23 THR A 109 72.742 13.912 0.787 1.00 0.00 H new ATOM 187 N LYS A 110 75.628 9.937 2.060 1.00 0.00 N ATOM 188 CA LYS A 110 76.006 8.772 2.909 1.00 0.00 C ATOM 189 C LYS A 110 75.673 9.059 4.377 1.00 0.00 C ATOM 190 O LYS A 110 75.656 8.169 5.205 1.00 0.00 O ATOM 191 CB LYS A 110 77.517 8.621 2.718 1.00 0.00 C ATOM 192 CG LYS A 110 77.791 7.731 1.505 1.00 0.00 C ATOM 193 CD LYS A 110 79.205 7.998 0.985 1.00 0.00 C ATOM 194 CE LYS A 110 79.188 8.029 -0.546 1.00 0.00 C ATOM 195 NZ LYS A 110 78.666 9.379 -0.898 1.00 0.00 N ATOM 0 H LYS A 110 76.392 10.353 1.528 1.00 0.00 H new ATOM 0 HA LYS A 110 75.468 7.865 2.634 1.00 0.00 H new ATOM 0 HB2 LYS A 110 77.976 9.599 2.576 1.00 0.00 H new ATOM 0 HB3 LYS A 110 77.965 8.185 3.611 1.00 0.00 H new ATOM 0 HG2 LYS A 110 77.685 6.681 1.779 1.00 0.00 H new ATOM 0 HG3 LYS A 110 77.060 7.931 0.721 1.00 0.00 H new ATOM 0 HD2 LYS A 110 79.574 8.947 1.375 1.00 0.00 H new ATOM 0 HD3 LYS A 110 79.886 7.223 1.336 1.00 0.00 H new ATOM 0 HE2 LYS A 110 80.186 7.873 -0.955 1.00 0.00 H new ATOM 0 HE3 LYS A 110 78.551 7.242 -0.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 77.979 9.294 -1.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 78.200 9.798 -0.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 79.454 9.989 -1.197 1.00 0.00 H new ATOM 209 N LYS A 111 75.411 10.295 4.704 1.00 0.00 N ATOM 210 CA LYS A 111 75.084 10.638 6.117 1.00 0.00 C ATOM 211 C LYS A 111 73.615 10.327 6.424 1.00 0.00 C ATOM 212 O LYS A 111 73.309 9.599 7.347 1.00 0.00 O ATOM 213 CB LYS A 111 75.349 12.140 6.227 1.00 0.00 C ATOM 214 CG LYS A 111 75.670 12.495 7.681 1.00 0.00 C ATOM 215 CD LYS A 111 77.172 12.332 7.928 1.00 0.00 C ATOM 216 CE LYS A 111 77.397 11.393 9.115 1.00 0.00 C ATOM 217 NZ LYS A 111 76.573 11.962 10.218 1.00 0.00 N ATOM 0 H LYS A 111 75.409 11.081 4.054 1.00 0.00 H new ATOM 0 HA LYS A 111 75.678 10.062 6.826 1.00 0.00 H new ATOM 0 HB2 LYS A 111 76.180 12.422 5.580 1.00 0.00 H new ATOM 0 HB3 LYS A 111 74.477 12.700 5.888 1.00 0.00 H new ATOM 0 HG2 LYS A 111 75.365 13.520 7.892 1.00 0.00 H new ATOM 0 HG3 LYS A 111 75.108 11.850 8.356 1.00 0.00 H new ATOM 0 HD2 LYS A 111 77.656 11.931 7.037 1.00 0.00 H new ATOM 0 HD3 LYS A 111 77.626 13.303 8.128 1.00 0.00 H new ATOM 0 HE2 LYS A 111 77.089 10.375 8.877 1.00 0.00 H new ATOM 0 HE3 LYS A 111 78.451 11.351 9.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 77.082 11.861 11.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 76.393 12.969 10.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 75.668 11.453 10.273 1.00 0.00 H new ATOM 231 N ASP A 112 72.701 10.876 5.668 1.00 0.00 N ATOM 232 CA ASP A 112 71.258 10.606 5.943 1.00 0.00 C ATOM 233 C ASP A 112 70.945 9.117 5.751 1.00 0.00 C ATOM 234 O ASP A 112 70.265 8.515 6.556 1.00 0.00 O ATOM 235 CB ASP A 112 70.476 11.487 4.953 1.00 0.00 C ATOM 236 CG ASP A 112 70.209 10.742 3.640 1.00 0.00 C ATOM 237 OD1 ASP A 112 69.576 9.700 3.685 1.00 0.00 O ATOM 238 OD2 ASP A 112 70.628 11.237 2.610 1.00 0.00 O ATOM 0 H ASP A 112 72.888 11.494 4.879 1.00 0.00 H new ATOM 0 HA ASP A 112 70.984 10.841 6.972 1.00 0.00 H new ATOM 0 HB2 ASP A 112 69.530 11.790 5.401 1.00 0.00 H new ATOM 0 HB3 ASP A 112 71.039 12.398 4.749 1.00 0.00 H new ATOM 243 N LEU A 113 71.433 8.513 4.700 1.00 0.00 N ATOM 244 CA LEU A 113 71.151 7.061 4.490 1.00 0.00 C ATOM 245 C LEU A 113 71.818 6.244 5.597 1.00 0.00 C ATOM 246 O LEU A 113 71.210 5.377 6.193 1.00 0.00 O ATOM 247 CB LEU A 113 71.755 6.716 3.127 1.00 0.00 C ATOM 248 CG LEU A 113 71.388 5.279 2.755 1.00 0.00 C ATOM 249 CD1 LEU A 113 70.587 5.281 1.453 1.00 0.00 C ATOM 250 CD2 LEU A 113 72.663 4.456 2.561 1.00 0.00 C ATOM 0 H LEU A 113 72.009 8.956 3.984 1.00 0.00 H new ATOM 0 HA LEU A 113 70.084 6.839 4.517 1.00 0.00 H new ATOM 0 HB2 LEU A 113 71.384 7.405 2.368 1.00 0.00 H new ATOM 0 HB3 LEU A 113 72.839 6.829 3.158 1.00 0.00 H new ATOM 0 HG LEU A 113 70.791 4.841 3.554 1.00 0.00 H new ATOM 0 HD11 LEU A 113 70.324 4.257 1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 113 69.677 5.866 1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 113 71.188 5.721 0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 113 72.398 3.432 2.296 1.00 0.00 H new ATOM 0 HD22 LEU A 113 73.261 4.895 1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 113 73.239 4.454 3.486 1.00 0.00 H new ATOM 262 N LYS A 114 73.062 6.518 5.887 1.00 0.00 N ATOM 263 CA LYS A 114 73.756 5.758 6.963 1.00 0.00 C ATOM 264 C LYS A 114 72.941 5.828 8.256 1.00 0.00 C ATOM 265 O LYS A 114 72.805 4.854 8.968 1.00 0.00 O ATOM 266 CB LYS A 114 75.106 6.454 7.141 1.00 0.00 C ATOM 267 CG LYS A 114 75.839 5.843 8.337 1.00 0.00 C ATOM 268 CD LYS A 114 76.900 6.823 8.843 1.00 0.00 C ATOM 269 CE LYS A 114 76.273 7.766 9.874 1.00 0.00 C ATOM 270 NZ LYS A 114 76.624 7.179 11.198 1.00 0.00 N ATOM 0 H LYS A 114 73.625 7.233 5.426 1.00 0.00 H new ATOM 0 HA LYS A 114 73.877 4.704 6.714 1.00 0.00 H new ATOM 0 HB2 LYS A 114 75.706 6.344 6.238 1.00 0.00 H new ATOM 0 HB3 LYS A 114 74.959 7.523 7.298 1.00 0.00 H new ATOM 0 HG2 LYS A 114 75.130 5.615 9.133 1.00 0.00 H new ATOM 0 HG3 LYS A 114 76.307 4.902 8.048 1.00 0.00 H new ATOM 0 HD2 LYS A 114 77.730 6.277 9.291 1.00 0.00 H new ATOM 0 HD3 LYS A 114 77.308 7.396 8.010 1.00 0.00 H new ATOM 0 HE2 LYS A 114 76.666 8.778 9.774 1.00 0.00 H new ATOM 0 HE3 LYS A 114 75.193 7.830 9.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 76.228 7.771 11.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 76.231 6.219 11.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 77.659 7.137 11.296 1.00 0.00 H new ATOM 284 N ASP A 115 72.390 6.972 8.561 1.00 0.00 N ATOM 285 CA ASP A 115 71.578 7.088 9.805 1.00 0.00 C ATOM 286 C ASP A 115 70.225 6.421 9.599 1.00 0.00 C ATOM 287 O ASP A 115 69.790 5.631 10.412 1.00 0.00 O ATOM 288 CB ASP A 115 71.422 8.589 10.053 1.00 0.00 C ATOM 289 CG ASP A 115 72.796 9.209 10.313 1.00 0.00 C ATOM 290 OD1 ASP A 115 73.500 8.700 11.170 1.00 0.00 O ATOM 291 OD2 ASP A 115 73.122 10.181 9.652 1.00 0.00 O ATOM 0 H ASP A 115 72.466 7.825 8.007 1.00 0.00 H new ATOM 0 HA ASP A 115 72.048 6.597 10.657 1.00 0.00 H new ATOM 0 HB2 ASP A 115 70.954 9.064 9.191 1.00 0.00 H new ATOM 0 HB3 ASP A 115 70.766 8.761 10.906 1.00 0.00 H new ATOM 296 N TYR A 116 69.565 6.698 8.509 1.00 0.00 N ATOM 297 CA TYR A 116 68.263 6.028 8.271 1.00 0.00 C ATOM 298 C TYR A 116 68.442 4.539 8.536 1.00 0.00 C ATOM 299 O TYR A 116 67.552 3.860 9.010 1.00 0.00 O ATOM 300 CB TYR A 116 67.942 6.237 6.799 1.00 0.00 C ATOM 301 CG TYR A 116 66.707 5.437 6.489 1.00 0.00 C ATOM 302 CD1 TYR A 116 66.814 4.104 6.075 1.00 0.00 C ATOM 303 CD2 TYR A 116 65.454 6.023 6.646 1.00 0.00 C ATOM 304 CE1 TYR A 116 65.658 3.358 5.815 1.00 0.00 C ATOM 305 CE2 TYR A 116 64.295 5.283 6.383 1.00 0.00 C ATOM 306 CZ TYR A 116 64.398 3.949 5.968 1.00 0.00 C ATOM 307 OH TYR A 116 63.256 3.215 5.714 1.00 0.00 O ATOM 0 H TYR A 116 69.867 7.349 7.785 1.00 0.00 H new ATOM 0 HA TYR A 116 67.472 6.420 8.910 1.00 0.00 H new ATOM 0 HB2 TYR A 116 67.777 7.294 6.589 1.00 0.00 H new ATOM 0 HB3 TYR A 116 68.775 5.914 6.175 1.00 0.00 H new ATOM 0 HD1 TYR A 116 67.787 3.651 5.956 1.00 0.00 H new ATOM 0 HD2 TYR A 116 65.376 7.050 6.971 1.00 0.00 H new ATOM 0 HE1 TYR A 116 65.738 2.329 5.497 1.00 0.00 H new ATOM 0 HE2 TYR A 116 63.323 5.740 6.500 1.00 0.00 H new ATOM 0 HH TYR A 116 63.501 2.287 5.517 1.00 0.00 H new ATOM 317 N PHE A 117 69.603 4.030 8.215 1.00 0.00 N ATOM 318 CA PHE A 117 69.868 2.586 8.425 1.00 0.00 C ATOM 319 C PHE A 117 70.479 2.333 9.803 1.00 0.00 C ATOM 320 O PHE A 117 70.511 1.218 10.281 1.00 0.00 O ATOM 321 CB PHE A 117 70.811 2.184 7.292 1.00 0.00 C ATOM 322 CG PHE A 117 69.971 1.861 6.081 1.00 0.00 C ATOM 323 CD1 PHE A 117 68.945 0.917 6.194 1.00 0.00 C ATOM 324 CD2 PHE A 117 70.197 2.509 4.859 1.00 0.00 C ATOM 325 CE1 PHE A 117 68.142 0.617 5.093 1.00 0.00 C ATOM 326 CE2 PHE A 117 69.394 2.204 3.751 1.00 0.00 C ATOM 327 CZ PHE A 117 68.366 1.258 3.868 1.00 0.00 C ATOM 0 H PHE A 117 70.378 4.559 7.815 1.00 0.00 H new ATOM 0 HA PHE A 117 68.954 1.992 8.405 1.00 0.00 H new ATOM 0 HB2 PHE A 117 71.506 2.993 7.069 1.00 0.00 H new ATOM 0 HB3 PHE A 117 71.410 1.321 7.582 1.00 0.00 H new ATOM 0 HD1 PHE A 117 68.774 0.419 7.137 1.00 0.00 H new ATOM 0 HD2 PHE A 117 70.987 3.240 4.771 1.00 0.00 H new ATOM 0 HE1 PHE A 117 67.348 -0.109 5.185 1.00 0.00 H new ATOM 0 HE2 PHE A 117 69.567 2.698 2.807 1.00 0.00 H new ATOM 0 HZ PHE A 117 67.747 1.024 3.014 1.00 0.00 H new ATOM 337 N SER A 118 70.932 3.354 10.467 1.00 0.00 N ATOM 338 CA SER A 118 71.490 3.143 11.826 1.00 0.00 C ATOM 339 C SER A 118 70.361 2.661 12.744 1.00 0.00 C ATOM 340 O SER A 118 70.586 2.199 13.844 1.00 0.00 O ATOM 341 CB SER A 118 72.007 4.510 12.270 1.00 0.00 C ATOM 342 OG SER A 118 73.268 4.755 11.663 1.00 0.00 O ATOM 0 H SER A 118 70.941 4.317 10.132 1.00 0.00 H new ATOM 0 HA SER A 118 72.286 2.399 11.853 1.00 0.00 H new ATOM 0 HB2 SER A 118 71.298 5.289 11.989 1.00 0.00 H new ATOM 0 HB3 SER A 118 72.101 4.541 13.356 1.00 0.00 H new ATOM 0 HG SER A 118 73.168 4.751 10.688 1.00 0.00 H new ATOM 348 N LYS A 119 69.138 2.771 12.282 1.00 0.00 N ATOM 349 CA LYS A 119 67.972 2.327 13.097 1.00 0.00 C ATOM 350 C LYS A 119 67.917 0.797 13.161 1.00 0.00 C ATOM 351 O LYS A 119 67.407 0.227 14.105 1.00 0.00 O ATOM 352 CB LYS A 119 66.753 2.880 12.359 1.00 0.00 C ATOM 353 CG LYS A 119 65.477 2.478 13.099 1.00 0.00 C ATOM 354 CD LYS A 119 64.444 3.599 12.970 1.00 0.00 C ATOM 355 CE LYS A 119 64.633 4.600 14.112 1.00 0.00 C ATOM 356 NZ LYS A 119 64.505 5.940 13.472 1.00 0.00 N ATOM 0 H LYS A 119 68.900 3.153 11.367 1.00 0.00 H new ATOM 0 HA LYS A 119 68.025 2.680 14.127 1.00 0.00 H new ATOM 0 HB2 LYS A 119 66.819 3.966 12.291 1.00 0.00 H new ATOM 0 HB3 LYS A 119 66.729 2.497 11.339 1.00 0.00 H new ATOM 0 HG2 LYS A 119 65.079 1.552 12.685 1.00 0.00 H new ATOM 0 HG3 LYS A 119 65.696 2.289 14.150 1.00 0.00 H new ATOM 0 HD2 LYS A 119 64.555 4.102 12.009 1.00 0.00 H new ATOM 0 HD3 LYS A 119 63.436 3.185 12.998 1.00 0.00 H new ATOM 0 HE2 LYS A 119 63.881 4.460 14.889 1.00 0.00 H new ATOM 0 HE3 LYS A 119 65.607 4.480 14.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 64.623 6.681 14.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 65.237 6.047 12.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 63.565 6.028 13.035 1.00 0.00 H new ATOM 370 N PHE A 120 68.448 0.125 12.173 1.00 0.00 N ATOM 371 CA PHE A 120 68.430 -1.366 12.201 1.00 0.00 C ATOM 372 C PHE A 120 69.678 -1.870 12.924 1.00 0.00 C ATOM 373 O PHE A 120 69.604 -2.590 13.901 1.00 0.00 O ATOM 374 CB PHE A 120 68.476 -1.825 10.740 1.00 0.00 C ATOM 375 CG PHE A 120 67.458 -1.090 9.899 1.00 0.00 C ATOM 376 CD1 PHE A 120 66.164 -1.607 9.748 1.00 0.00 C ATOM 377 CD2 PHE A 120 67.820 0.089 9.241 1.00 0.00 C ATOM 378 CE1 PHE A 120 65.237 -0.941 8.934 1.00 0.00 C ATOM 379 CE2 PHE A 120 66.891 0.757 8.435 1.00 0.00 C ATOM 380 CZ PHE A 120 65.603 0.242 8.279 1.00 0.00 C ATOM 0 H PHE A 120 68.890 0.541 11.354 1.00 0.00 H new ATOM 0 HA PHE A 120 67.547 -1.747 12.714 1.00 0.00 H new ATOM 0 HB2 PHE A 120 69.474 -1.657 10.335 1.00 0.00 H new ATOM 0 HB3 PHE A 120 68.287 -2.897 10.688 1.00 0.00 H new ATOM 0 HD1 PHE A 120 65.882 -2.516 10.258 1.00 0.00 H new ATOM 0 HD2 PHE A 120 68.818 0.485 9.355 1.00 0.00 H new ATOM 0 HE1 PHE A 120 64.241 -1.340 8.812 1.00 0.00 H new ATOM 0 HE2 PHE A 120 67.171 1.672 7.933 1.00 0.00 H new ATOM 0 HZ PHE A 120 64.888 0.756 7.653 1.00 0.00 H new ATOM 390 N GLY A 121 70.825 -1.488 12.440 1.00 0.00 N ATOM 391 CA GLY A 121 72.098 -1.927 13.075 1.00 0.00 C ATOM 392 C GLY A 121 73.217 -0.971 12.663 1.00 0.00 C ATOM 393 O GLY A 121 73.061 -0.172 11.762 1.00 0.00 O ATOM 0 H GLY A 121 70.937 -0.885 11.625 1.00 0.00 H new ATOM 0 HA2 GLY A 121 71.993 -1.938 14.160 1.00 0.00 H new ATOM 0 HA3 GLY A 121 72.340 -2.944 12.768 1.00 0.00 H new ATOM 397 N GLU A 122 74.345 -1.044 13.311 1.00 0.00 N ATOM 398 CA GLU A 122 75.468 -0.135 12.945 1.00 0.00 C ATOM 399 C GLU A 122 75.907 -0.403 11.503 1.00 0.00 C ATOM 400 O GLU A 122 75.697 -1.472 10.970 1.00 0.00 O ATOM 401 CB GLU A 122 76.592 -0.482 13.921 1.00 0.00 C ATOM 402 CG GLU A 122 76.824 0.690 14.877 1.00 0.00 C ATOM 403 CD GLU A 122 77.436 0.172 16.180 1.00 0.00 C ATOM 404 OE1 GLU A 122 76.936 -0.814 16.695 1.00 0.00 O ATOM 405 OE2 GLU A 122 78.395 0.770 16.640 1.00 0.00 O ATOM 0 H GLU A 122 74.539 -1.691 14.076 1.00 0.00 H new ATOM 0 HA GLU A 122 75.189 0.917 13.005 1.00 0.00 H new ATOM 0 HB2 GLU A 122 76.333 -1.378 14.485 1.00 0.00 H new ATOM 0 HB3 GLU A 122 77.508 -0.703 13.373 1.00 0.00 H new ATOM 0 HG2 GLU A 122 77.487 1.422 14.417 1.00 0.00 H new ATOM 0 HG3 GLU A 122 75.882 1.198 15.082 1.00 0.00 H new ATOM 412 N VAL A 123 76.517 0.559 10.869 1.00 0.00 N ATOM 413 CA VAL A 123 76.976 0.357 9.464 1.00 0.00 C ATOM 414 C VAL A 123 78.463 0.658 9.329 1.00 0.00 C ATOM 415 O VAL A 123 78.939 1.705 9.720 1.00 0.00 O ATOM 416 CB VAL A 123 76.139 1.326 8.613 1.00 0.00 C ATOM 417 CG1 VAL A 123 76.960 1.861 7.432 1.00 0.00 C ATOM 418 CG2 VAL A 123 74.953 0.562 8.041 1.00 0.00 C ATOM 0 H VAL A 123 76.718 1.478 11.263 1.00 0.00 H new ATOM 0 HA VAL A 123 76.843 -0.676 9.143 1.00 0.00 H new ATOM 0 HB VAL A 123 75.820 2.158 9.241 1.00 0.00 H new ATOM 0 HG11 VAL A 123 76.348 2.545 6.843 1.00 0.00 H new ATOM 0 HG12 VAL A 123 77.836 2.390 7.808 1.00 0.00 H new ATOM 0 HG13 VAL A 123 77.280 1.029 6.805 1.00 0.00 H new ATOM 0 HG21 VAL A 123 74.346 1.234 7.433 1.00 0.00 H new ATOM 0 HG22 VAL A 123 75.314 -0.260 7.423 1.00 0.00 H new ATOM 0 HG23 VAL A 123 74.348 0.165 8.856 1.00 0.00 H new ATOM 428 N VAL A 124 79.190 -0.240 8.736 1.00 0.00 N ATOM 429 CA VAL A 124 80.633 0.006 8.525 1.00 0.00 C ATOM 430 C VAL A 124 80.795 0.703 7.179 1.00 0.00 C ATOM 431 O VAL A 124 81.759 1.403 6.939 1.00 0.00 O ATOM 432 CB VAL A 124 81.291 -1.380 8.502 1.00 0.00 C ATOM 433 CG1 VAL A 124 82.532 -1.357 7.599 1.00 0.00 C ATOM 434 CG2 VAL A 124 81.707 -1.767 9.923 1.00 0.00 C ATOM 0 H VAL A 124 78.845 -1.135 8.388 1.00 0.00 H new ATOM 0 HA VAL A 124 81.083 0.631 9.296 1.00 0.00 H new ATOM 0 HB VAL A 124 80.578 -2.108 8.114 1.00 0.00 H new ATOM 0 HG11 VAL A 124 82.993 -2.345 7.589 1.00 0.00 H new ATOM 0 HG12 VAL A 124 82.240 -1.082 6.586 1.00 0.00 H new ATOM 0 HG13 VAL A 124 83.246 -0.628 7.981 1.00 0.00 H new ATOM 0 HG21 VAL A 124 82.175 -2.751 9.910 1.00 0.00 H new ATOM 0 HG22 VAL A 124 82.416 -1.033 10.307 1.00 0.00 H new ATOM 0 HG23 VAL A 124 80.827 -1.792 10.566 1.00 0.00 H new ATOM 444 N ASP A 125 79.859 0.502 6.291 1.00 0.00 N ATOM 445 CA ASP A 125 79.978 1.146 4.961 1.00 0.00 C ATOM 446 C ASP A 125 78.626 1.654 4.453 1.00 0.00 C ATOM 447 O ASP A 125 77.579 1.243 4.912 1.00 0.00 O ATOM 448 CB ASP A 125 80.525 0.055 4.040 1.00 0.00 C ATOM 449 CG ASP A 125 82.033 0.239 3.866 1.00 0.00 C ATOM 450 OD1 ASP A 125 82.637 0.861 4.723 1.00 0.00 O ATOM 451 OD2 ASP A 125 82.558 -0.247 2.877 1.00 0.00 O ATOM 0 H ASP A 125 79.029 -0.074 6.430 1.00 0.00 H new ATOM 0 HA ASP A 125 80.627 2.021 5.001 1.00 0.00 H new ATOM 0 HB2 ASP A 125 80.315 -0.929 4.460 1.00 0.00 H new ATOM 0 HB3 ASP A 125 80.029 0.101 3.071 1.00 0.00 H new ATOM 456 N CYS A 126 78.655 2.548 3.499 1.00 0.00 N ATOM 457 CA CYS A 126 77.390 3.103 2.933 1.00 0.00 C ATOM 458 C CYS A 126 77.701 3.923 1.686 1.00 0.00 C ATOM 459 O CYS A 126 78.564 4.779 1.684 1.00 0.00 O ATOM 460 CB CYS A 126 76.809 3.987 4.037 1.00 0.00 C ATOM 461 SG CYS A 126 75.507 5.041 3.349 1.00 0.00 S ATOM 0 H CYS A 126 79.509 2.920 3.084 1.00 0.00 H new ATOM 0 HA CYS A 126 76.687 2.324 2.637 1.00 0.00 H new ATOM 0 HB2 CYS A 126 76.404 3.368 4.838 1.00 0.00 H new ATOM 0 HB3 CYS A 126 77.595 4.602 4.476 1.00 0.00 H new ATOM 0 HG CYS A 126 75.472 6.167 3.998 1.00 0.00 H new ATOM 467 N THR A 127 77.021 3.640 0.617 1.00 0.00 N ATOM 468 CA THR A 127 77.280 4.363 -0.648 1.00 0.00 C ATOM 469 C THR A 127 75.987 4.974 -1.203 1.00 0.00 C ATOM 470 O THR A 127 74.916 4.419 -1.061 1.00 0.00 O ATOM 471 CB THR A 127 77.804 3.275 -1.582 1.00 0.00 C ATOM 472 OG1 THR A 127 77.873 2.033 -0.891 1.00 0.00 O ATOM 473 CG2 THR A 127 79.193 3.658 -2.066 1.00 0.00 C ATOM 0 H THR A 127 76.289 2.931 0.567 1.00 0.00 H new ATOM 0 HA THR A 127 77.977 5.192 -0.525 1.00 0.00 H new ATOM 0 HB THR A 127 77.129 3.175 -2.432 1.00 0.00 H new ATOM 0 HG1 THR A 127 78.381 1.389 -1.426 1.00 0.00 H new ATOM 0 HG21 THR A 127 79.572 2.884 -2.734 1.00 0.00 H new ATOM 0 HG22 THR A 127 79.143 4.606 -2.601 1.00 0.00 H new ATOM 0 HG23 THR A 127 79.861 3.759 -1.211 1.00 0.00 H new ATOM 481 N LEU A 128 76.084 6.108 -1.847 1.00 0.00 N ATOM 482 CA LEU A 128 74.866 6.746 -2.424 1.00 0.00 C ATOM 483 C LEU A 128 75.128 7.164 -3.874 1.00 0.00 C ATOM 484 O LEU A 128 75.736 8.182 -4.137 1.00 0.00 O ATOM 485 CB LEU A 128 74.586 7.979 -1.549 1.00 0.00 C ATOM 486 CG LEU A 128 73.459 8.834 -2.151 1.00 0.00 C ATOM 487 CD1 LEU A 128 74.047 9.882 -3.102 1.00 0.00 C ATOM 488 CD2 LEU A 128 72.472 7.946 -2.918 1.00 0.00 C ATOM 0 H LEU A 128 76.954 6.619 -1.998 1.00 0.00 H new ATOM 0 HA LEU A 128 74.016 6.064 -2.434 1.00 0.00 H new ATOM 0 HB2 LEU A 128 74.310 7.661 -0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 128 75.492 8.578 -1.456 1.00 0.00 H new ATOM 0 HG LEU A 128 72.933 9.336 -1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 128 73.242 10.483 -3.524 1.00 0.00 H new ATOM 0 HD12 LEU A 128 74.732 10.528 -2.553 1.00 0.00 H new ATOM 0 HD13 LEU A 128 74.586 9.382 -3.907 1.00 0.00 H new ATOM 0 HD21 LEU A 128 71.679 8.563 -3.339 1.00 0.00 H new ATOM 0 HD22 LEU A 128 72.996 7.430 -3.722 1.00 0.00 H new ATOM 0 HD23 LEU A 128 72.038 7.212 -2.238 1.00 0.00 H new ATOM 500 N LYS A 129 74.674 6.385 -4.817 1.00 0.00 N ATOM 501 CA LYS A 129 74.894 6.740 -6.249 1.00 0.00 C ATOM 502 C LYS A 129 73.843 7.759 -6.700 1.00 0.00 C ATOM 503 O LYS A 129 72.979 7.470 -7.506 1.00 0.00 O ATOM 504 CB LYS A 129 74.741 5.427 -7.018 1.00 0.00 C ATOM 505 CG LYS A 129 75.935 5.243 -7.956 1.00 0.00 C ATOM 506 CD LYS A 129 77.186 4.926 -7.136 1.00 0.00 C ATOM 507 CE LYS A 129 78.310 5.888 -7.527 1.00 0.00 C ATOM 508 NZ LYS A 129 79.463 5.497 -6.671 1.00 0.00 N ATOM 0 H LYS A 129 74.160 5.518 -4.659 1.00 0.00 H new ATOM 0 HA LYS A 129 75.871 7.192 -6.419 1.00 0.00 H new ATOM 0 HB2 LYS A 129 74.680 4.591 -6.322 1.00 0.00 H new ATOM 0 HB3 LYS A 129 73.813 5.434 -7.590 1.00 0.00 H new ATOM 0 HG2 LYS A 129 75.736 4.436 -8.661 1.00 0.00 H new ATOM 0 HG3 LYS A 129 76.092 6.148 -8.543 1.00 0.00 H new ATOM 0 HD2 LYS A 129 76.969 5.017 -6.072 1.00 0.00 H new ATOM 0 HD3 LYS A 129 77.497 3.896 -7.311 1.00 0.00 H new ATOM 0 HE2 LYS A 129 78.556 5.800 -8.585 1.00 0.00 H new ATOM 0 HE3 LYS A 129 78.022 6.925 -7.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 80.275 6.112 -6.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 79.202 5.598 -5.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 79.719 4.508 -6.864 1.00 0.00 H new ATOM 522 N LEU A 130 73.921 8.953 -6.177 1.00 0.00 N ATOM 523 CA LEU A 130 72.949 10.019 -6.558 1.00 0.00 C ATOM 524 C LEU A 130 73.603 11.398 -6.398 1.00 0.00 C ATOM 525 O LEU A 130 72.962 12.362 -6.028 1.00 0.00 O ATOM 526 CB LEU A 130 71.761 9.857 -5.611 1.00 0.00 C ATOM 527 CG LEU A 130 70.621 9.163 -6.360 1.00 0.00 C ATOM 528 CD1 LEU A 130 69.402 9.039 -5.449 1.00 0.00 C ATOM 529 CD2 LEU A 130 70.247 9.987 -7.593 1.00 0.00 C ATOM 0 H LEU A 130 74.624 9.238 -5.495 1.00 0.00 H new ATOM 0 HA LEU A 130 72.631 9.936 -7.597 1.00 0.00 H new ATOM 0 HB2 LEU A 130 72.051 9.271 -4.739 1.00 0.00 H new ATOM 0 HB3 LEU A 130 71.434 10.831 -5.246 1.00 0.00 H new ATOM 0 HG LEU A 130 70.946 8.169 -6.666 1.00 0.00 H new ATOM 0 HD11 LEU A 130 68.594 8.544 -5.988 1.00 0.00 H new ATOM 0 HD12 LEU A 130 69.664 8.452 -4.569 1.00 0.00 H new ATOM 0 HD13 LEU A 130 69.077 10.032 -5.139 1.00 0.00 H new ATOM 0 HD21 LEU A 130 69.435 9.494 -8.128 1.00 0.00 H new ATOM 0 HD22 LEU A 130 69.926 10.981 -7.282 1.00 0.00 H new ATOM 0 HD23 LEU A 130 71.113 10.074 -8.249 1.00 0.00 H new ATOM 541 N ASP A 131 74.878 11.494 -6.672 1.00 0.00 N ATOM 542 CA ASP A 131 75.584 12.804 -6.534 1.00 0.00 C ATOM 543 C ASP A 131 74.804 13.918 -7.242 1.00 0.00 C ATOM 544 O ASP A 131 74.675 13.914 -8.449 1.00 0.00 O ATOM 545 CB ASP A 131 76.940 12.593 -7.211 1.00 0.00 C ATOM 546 CG ASP A 131 77.611 11.349 -6.629 1.00 0.00 C ATOM 547 OD1 ASP A 131 77.076 10.799 -5.681 1.00 0.00 O ATOM 548 OD2 ASP A 131 78.651 10.967 -7.142 1.00 0.00 O ATOM 0 H ASP A 131 75.463 10.720 -6.986 1.00 0.00 H new ATOM 0 HA ASP A 131 75.683 13.105 -5.491 1.00 0.00 H new ATOM 0 HB2 ASP A 131 76.808 12.478 -8.287 1.00 0.00 H new ATOM 0 HB3 ASP A 131 77.574 13.466 -7.059 1.00 0.00 H new ATOM 553 N PRO A 132 74.311 14.840 -6.458 1.00 0.00 N ATOM 554 CA PRO A 132 73.540 15.975 -7.011 1.00 0.00 C ATOM 555 C PRO A 132 74.481 17.074 -7.518 1.00 0.00 C ATOM 556 O PRO A 132 74.051 18.047 -8.104 1.00 0.00 O ATOM 557 CB PRO A 132 72.736 16.471 -5.813 1.00 0.00 C ATOM 558 CG PRO A 132 73.516 16.052 -4.602 1.00 0.00 C ATOM 559 CD PRO A 132 74.418 14.906 -4.999 1.00 0.00 C ATOM 0 HA PRO A 132 72.917 15.693 -7.860 1.00 0.00 H new ATOM 0 HB2 PRO A 132 72.613 17.554 -5.845 1.00 0.00 H new ATOM 0 HB3 PRO A 132 71.736 16.037 -5.805 1.00 0.00 H new ATOM 0 HG2 PRO A 132 74.105 16.886 -4.221 1.00 0.00 H new ATOM 0 HG3 PRO A 132 72.842 15.746 -3.802 1.00 0.00 H new ATOM 0 HD2 PRO A 132 75.446 15.084 -4.685 1.00 0.00 H new ATOM 0 HD3 PRO A 132 74.100 13.972 -4.536 1.00 0.00 H new ATOM 567 N ILE A 133 75.760 16.934 -7.291 1.00 0.00 N ATOM 568 CA ILE A 133 76.716 17.982 -7.755 1.00 0.00 C ATOM 569 C ILE A 133 77.569 17.463 -8.918 1.00 0.00 C ATOM 570 O ILE A 133 77.995 18.216 -9.770 1.00 0.00 O ATOM 571 CB ILE A 133 77.589 18.286 -6.534 1.00 0.00 C ATOM 572 CG1 ILE A 133 78.250 19.653 -6.712 1.00 0.00 C ATOM 573 CG2 ILE A 133 78.671 17.213 -6.383 1.00 0.00 C ATOM 574 CD1 ILE A 133 79.172 19.606 -7.926 1.00 0.00 C ATOM 0 H ILE A 133 76.183 16.143 -6.806 1.00 0.00 H new ATOM 0 HA ILE A 133 76.203 18.870 -8.124 1.00 0.00 H new ATOM 0 HB ILE A 133 76.965 18.292 -5.640 1.00 0.00 H new ATOM 0 HG12 ILE A 133 77.491 20.423 -6.846 1.00 0.00 H new ATOM 0 HG13 ILE A 133 78.817 19.916 -5.819 1.00 0.00 H new ATOM 0 HG21 ILE A 133 79.287 17.437 -5.512 1.00 0.00 H new ATOM 0 HG22 ILE A 133 78.201 16.238 -6.254 1.00 0.00 H new ATOM 0 HG23 ILE A 133 79.296 17.199 -7.276 1.00 0.00 H new ATOM 0 HD11 ILE A 133 79.647 20.578 -8.060 1.00 0.00 H new ATOM 0 HD12 ILE A 133 79.938 18.846 -7.772 1.00 0.00 H new ATOM 0 HD13 ILE A 133 78.591 19.361 -8.815 1.00 0.00 H new ATOM 586 N THR A 134 77.831 16.185 -8.955 1.00 0.00 N ATOM 587 CA THR A 134 78.665 15.631 -10.058 1.00 0.00 C ATOM 588 C THR A 134 77.784 15.229 -11.245 1.00 0.00 C ATOM 589 O THR A 134 78.273 14.851 -12.292 1.00 0.00 O ATOM 590 CB THR A 134 79.349 14.400 -9.457 1.00 0.00 C ATOM 591 OG1 THR A 134 79.176 14.400 -8.046 1.00 0.00 O ATOM 592 CG2 THR A 134 80.839 14.438 -9.786 1.00 0.00 C ATOM 0 H THR A 134 77.504 15.502 -8.271 1.00 0.00 H new ATOM 0 HA THR A 134 79.385 16.358 -10.433 1.00 0.00 H new ATOM 0 HB THR A 134 78.905 13.497 -9.876 1.00 0.00 H new ATOM 0 HG1 THR A 134 79.613 13.611 -7.663 1.00 0.00 H new ATOM 0 HG21 THR A 134 81.328 13.563 -9.359 1.00 0.00 H new ATOM 0 HG22 THR A 134 80.973 14.437 -10.868 1.00 0.00 H new ATOM 0 HG23 THR A 134 81.281 15.342 -9.366 1.00 0.00 H new ATOM 600 N GLY A 135 76.491 15.311 -11.091 1.00 0.00 N ATOM 601 CA GLY A 135 75.582 14.935 -12.212 1.00 0.00 C ATOM 602 C GLY A 135 75.647 13.424 -12.443 1.00 0.00 C ATOM 603 O GLY A 135 75.084 12.906 -13.387 1.00 0.00 O ATOM 0 H GLY A 135 76.024 15.622 -10.239 1.00 0.00 H new ATOM 0 HA2 GLY A 135 74.560 15.234 -11.980 1.00 0.00 H new ATOM 0 HA3 GLY A 135 75.870 15.464 -13.120 1.00 0.00 H new ATOM 607 N ARG A 136 76.332 12.713 -11.590 1.00 0.00 N ATOM 608 CA ARG A 136 76.434 11.235 -11.762 1.00 0.00 C ATOM 609 C ARG A 136 75.465 10.524 -10.818 1.00 0.00 C ATOM 610 O ARG A 136 75.783 9.502 -10.244 1.00 0.00 O ATOM 611 CB ARG A 136 77.875 10.894 -11.392 1.00 0.00 C ATOM 612 CG ARG A 136 78.829 11.768 -12.204 1.00 0.00 C ATOM 613 CD ARG A 136 79.944 10.897 -12.784 1.00 0.00 C ATOM 614 NE ARG A 136 79.370 10.325 -14.032 1.00 0.00 N ATOM 615 CZ ARG A 136 79.963 10.531 -15.175 1.00 0.00 C ATOM 616 NH1 ARG A 136 81.089 9.930 -15.443 1.00 0.00 N ATOM 617 NH2 ARG A 136 79.432 11.340 -16.050 1.00 0.00 N ATOM 0 H ARG A 136 76.826 13.091 -10.781 1.00 0.00 H new ATOM 0 HA ARG A 136 76.183 10.921 -12.775 1.00 0.00 H new ATOM 0 HB2 ARG A 136 78.036 11.055 -10.326 1.00 0.00 H new ATOM 0 HB3 ARG A 136 78.073 9.840 -11.589 1.00 0.00 H new ATOM 0 HG2 ARG A 136 78.288 12.268 -13.007 1.00 0.00 H new ATOM 0 HG3 ARG A 136 79.253 12.548 -11.572 1.00 0.00 H new ATOM 0 HD2 ARG A 136 80.837 11.486 -12.993 1.00 0.00 H new ATOM 0 HD3 ARG A 136 80.236 10.112 -12.087 1.00 0.00 H new ATOM 0 HE ARG A 136 78.514 9.772 -13.993 1.00 0.00 H new ATOM 0 HH11 ARG A 136 81.506 9.299 -14.759 1.00 0.00 H new ATOM 0 HH12 ARG A 136 81.553 10.091 -16.337 1.00 0.00 H new ATOM 0 HH21 ARG A 136 78.552 11.812 -15.840 1.00 0.00 H new ATOM 0 HH22 ARG A 136 79.896 11.501 -16.944 1.00 0.00 H new ATOM 631 N SER A 137 74.287 11.055 -10.651 1.00 0.00 N ATOM 632 CA SER A 137 73.305 10.405 -9.739 1.00 0.00 C ATOM 633 C SER A 137 72.575 9.272 -10.469 1.00 0.00 C ATOM 634 O SER A 137 71.848 9.502 -11.415 1.00 0.00 O ATOM 635 CB SER A 137 72.316 11.512 -9.355 1.00 0.00 C ATOM 636 OG SER A 137 72.718 12.739 -9.953 1.00 0.00 O ATOM 0 H SER A 137 73.962 11.909 -11.105 1.00 0.00 H new ATOM 0 HA SER A 137 73.787 9.968 -8.865 1.00 0.00 H new ATOM 0 HB2 SER A 137 71.312 11.247 -9.685 1.00 0.00 H new ATOM 0 HB3 SER A 137 72.278 11.619 -8.271 1.00 0.00 H new ATOM 0 HG SER A 137 73.418 13.155 -9.408 1.00 0.00 H new ATOM 642 N ARG A 138 72.752 8.054 -10.033 1.00 0.00 N ATOM 643 CA ARG A 138 72.055 6.916 -10.703 1.00 0.00 C ATOM 644 C ARG A 138 70.694 6.688 -10.041 1.00 0.00 C ATOM 645 O ARG A 138 69.823 6.044 -10.588 1.00 0.00 O ATOM 646 CB ARG A 138 72.967 5.707 -10.492 1.00 0.00 C ATOM 647 CG ARG A 138 73.830 5.495 -11.738 1.00 0.00 C ATOM 648 CD ARG A 138 75.069 6.390 -11.658 1.00 0.00 C ATOM 649 NE ARG A 138 76.019 5.823 -12.656 1.00 0.00 N ATOM 650 CZ ARG A 138 75.998 6.244 -13.892 1.00 0.00 C ATOM 651 NH1 ARG A 138 75.191 5.691 -14.755 1.00 0.00 N ATOM 652 NH2 ARG A 138 76.785 7.218 -14.263 1.00 0.00 N ATOM 0 H ARG A 138 73.347 7.797 -9.245 1.00 0.00 H new ATOM 0 HA ARG A 138 71.874 7.100 -11.762 1.00 0.00 H new ATOM 0 HB2 ARG A 138 73.601 5.864 -9.620 1.00 0.00 H new ATOM 0 HB3 ARG A 138 72.369 4.817 -10.295 1.00 0.00 H new ATOM 0 HG2 ARG A 138 74.128 4.449 -11.814 1.00 0.00 H new ATOM 0 HG3 ARG A 138 73.256 5.729 -12.635 1.00 0.00 H new ATOM 0 HD2 ARG A 138 74.823 7.426 -11.891 1.00 0.00 H new ATOM 0 HD3 ARG A 138 75.498 6.382 -10.656 1.00 0.00 H new ATOM 0 HE ARG A 138 76.686 5.105 -12.374 1.00 0.00 H new ATOM 0 HH11 ARG A 138 74.577 4.930 -14.464 1.00 0.00 H new ATOM 0 HH12 ARG A 138 75.174 6.019 -15.721 1.00 0.00 H new ATOM 0 HH21 ARG A 138 77.416 7.650 -13.587 1.00 0.00 H new ATOM 0 HH22 ARG A 138 76.769 7.547 -15.228 1.00 0.00 H new ATOM 666 N GLY A 139 70.510 7.227 -8.866 1.00 0.00 N ATOM 667 CA GLY A 139 69.207 7.061 -8.161 1.00 0.00 C ATOM 668 C GLY A 139 69.244 5.816 -7.273 1.00 0.00 C ATOM 669 O GLY A 139 68.228 5.200 -7.015 1.00 0.00 O ATOM 0 H GLY A 139 71.207 7.776 -8.363 1.00 0.00 H new ATOM 0 HA2 GLY A 139 68.997 7.943 -7.556 1.00 0.00 H new ATOM 0 HA3 GLY A 139 68.400 6.975 -8.888 1.00 0.00 H new ATOM 673 N PHE A 140 70.399 5.438 -6.797 1.00 0.00 N ATOM 674 CA PHE A 140 70.473 4.230 -5.922 1.00 0.00 C ATOM 675 C PHE A 140 71.815 4.183 -5.182 1.00 0.00 C ATOM 676 O PHE A 140 72.739 4.888 -5.520 1.00 0.00 O ATOM 677 CB PHE A 140 70.321 3.041 -6.879 1.00 0.00 C ATOM 678 CG PHE A 140 71.658 2.678 -7.487 1.00 0.00 C ATOM 679 CD1 PHE A 140 72.349 3.606 -8.275 1.00 0.00 C ATOM 680 CD2 PHE A 140 72.201 1.409 -7.258 1.00 0.00 C ATOM 681 CE1 PHE A 140 73.587 3.261 -8.833 1.00 0.00 C ATOM 682 CE2 PHE A 140 73.438 1.066 -7.816 1.00 0.00 C ATOM 683 CZ PHE A 140 74.131 1.991 -8.605 1.00 0.00 C ATOM 0 H PHE A 140 71.288 5.907 -6.973 1.00 0.00 H new ATOM 0 HA PHE A 140 69.703 4.227 -5.151 1.00 0.00 H new ATOM 0 HB2 PHE A 140 69.914 2.184 -6.342 1.00 0.00 H new ATOM 0 HB3 PHE A 140 69.611 3.290 -7.668 1.00 0.00 H new ATOM 0 HD1 PHE A 140 71.929 4.585 -8.452 1.00 0.00 H new ATOM 0 HD2 PHE A 140 71.666 0.694 -6.651 1.00 0.00 H new ATOM 0 HE1 PHE A 140 74.123 3.976 -9.440 1.00 0.00 H new ATOM 0 HE2 PHE A 140 73.858 0.087 -7.638 1.00 0.00 H new ATOM 0 HZ PHE A 140 75.084 1.726 -9.038 1.00 0.00 H new ATOM 693 N GLY A 141 71.927 3.355 -4.178 1.00 0.00 N ATOM 694 CA GLY A 141 73.211 3.270 -3.424 1.00 0.00 C ATOM 695 C GLY A 141 73.281 1.941 -2.670 1.00 0.00 C ATOM 696 O GLY A 141 72.364 1.145 -2.707 1.00 0.00 O ATOM 0 H GLY A 141 71.187 2.735 -3.848 1.00 0.00 H new ATOM 0 HA2 GLY A 141 74.053 3.354 -4.111 1.00 0.00 H new ATOM 0 HA3 GLY A 141 73.288 4.101 -2.723 1.00 0.00 H new ATOM 700 N PHE A 142 74.367 1.689 -1.988 1.00 0.00 N ATOM 701 CA PHE A 142 74.496 0.407 -1.234 1.00 0.00 C ATOM 702 C PHE A 142 74.532 0.666 0.274 1.00 0.00 C ATOM 703 O PHE A 142 74.638 1.791 0.722 1.00 0.00 O ATOM 704 CB PHE A 142 75.833 -0.186 -1.680 1.00 0.00 C ATOM 705 CG PHE A 142 75.670 -0.914 -2.989 1.00 0.00 C ATOM 706 CD1 PHE A 142 75.420 -0.198 -4.166 1.00 0.00 C ATOM 707 CD2 PHE A 142 75.781 -2.308 -3.025 1.00 0.00 C ATOM 708 CE1 PHE A 142 75.279 -0.878 -5.381 1.00 0.00 C ATOM 709 CE2 PHE A 142 75.641 -2.989 -4.241 1.00 0.00 C ATOM 710 CZ PHE A 142 75.390 -2.273 -5.419 1.00 0.00 C ATOM 0 H PHE A 142 75.170 2.315 -1.920 1.00 0.00 H new ATOM 0 HA PHE A 142 73.654 -0.257 -1.430 1.00 0.00 H new ATOM 0 HB2 PHE A 142 76.573 0.607 -1.787 1.00 0.00 H new ATOM 0 HB3 PHE A 142 76.207 -0.871 -0.919 1.00 0.00 H new ATOM 0 HD1 PHE A 142 75.336 0.878 -4.136 1.00 0.00 H new ATOM 0 HD2 PHE A 142 75.974 -2.859 -2.116 1.00 0.00 H new ATOM 0 HE1 PHE A 142 75.085 -0.327 -6.289 1.00 0.00 H new ATOM 0 HE2 PHE A 142 75.726 -4.065 -4.271 1.00 0.00 H new ATOM 0 HZ PHE A 142 75.282 -2.798 -6.357 1.00 0.00 H new ATOM 720 N VAL A 143 74.466 -0.376 1.055 1.00 0.00 N ATOM 721 CA VAL A 143 74.517 -0.213 2.534 1.00 0.00 C ATOM 722 C VAL A 143 75.178 -1.439 3.155 1.00 0.00 C ATOM 723 O VAL A 143 74.808 -2.564 2.887 1.00 0.00 O ATOM 724 CB VAL A 143 73.062 -0.081 2.984 1.00 0.00 C ATOM 725 CG1 VAL A 143 72.968 -0.303 4.494 1.00 0.00 C ATOM 726 CG2 VAL A 143 72.554 1.321 2.643 1.00 0.00 C ATOM 0 H VAL A 143 74.378 -1.339 0.730 1.00 0.00 H new ATOM 0 HA VAL A 143 75.098 0.657 2.841 1.00 0.00 H new ATOM 0 HB VAL A 143 72.454 -0.827 2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 143 71.930 -0.208 4.812 1.00 0.00 H new ATOM 0 HG12 VAL A 143 73.333 -1.301 4.738 1.00 0.00 H new ATOM 0 HG13 VAL A 143 73.575 0.441 5.010 1.00 0.00 H new ATOM 0 HG21 VAL A 143 71.516 1.420 2.962 1.00 0.00 H new ATOM 0 HG22 VAL A 143 73.164 2.064 3.157 1.00 0.00 H new ATOM 0 HG23 VAL A 143 72.619 1.480 1.567 1.00 0.00 H new ATOM 736 N LEU A 144 76.169 -1.225 3.966 1.00 0.00 N ATOM 737 CA LEU A 144 76.882 -2.368 4.592 1.00 0.00 C ATOM 738 C LEU A 144 76.694 -2.341 6.109 1.00 0.00 C ATOM 739 O LEU A 144 77.303 -1.552 6.809 1.00 0.00 O ATOM 740 CB LEU A 144 78.342 -2.139 4.217 1.00 0.00 C ATOM 741 CG LEU A 144 78.694 -2.986 2.991 1.00 0.00 C ATOM 742 CD1 LEU A 144 77.894 -2.495 1.781 1.00 0.00 C ATOM 743 CD2 LEU A 144 80.190 -2.856 2.696 1.00 0.00 C ATOM 0 H LEU A 144 76.519 -0.302 4.225 1.00 0.00 H new ATOM 0 HA LEU A 144 76.515 -3.338 4.256 1.00 0.00 H new ATOM 0 HB2 LEU A 144 78.512 -1.084 4.004 1.00 0.00 H new ATOM 0 HB3 LEU A 144 78.989 -2.404 5.053 1.00 0.00 H new ATOM 0 HG LEU A 144 78.449 -4.029 3.189 1.00 0.00 H new ATOM 0 HD11 LEU A 144 78.146 -3.099 0.909 1.00 0.00 H new ATOM 0 HD12 LEU A 144 76.828 -2.585 1.989 1.00 0.00 H new ATOM 0 HD13 LEU A 144 78.138 -1.451 1.582 1.00 0.00 H new ATOM 0 HD21 LEU A 144 80.442 -3.458 1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 144 80.433 -1.812 2.499 1.00 0.00 H new ATOM 0 HD23 LEU A 144 80.762 -3.205 3.556 1.00 0.00 H new ATOM 755 N PHE A 145 75.851 -3.196 6.618 1.00 0.00 N ATOM 756 CA PHE A 145 75.611 -3.225 8.087 1.00 0.00 C ATOM 757 C PHE A 145 76.783 -3.895 8.806 1.00 0.00 C ATOM 758 O PHE A 145 77.586 -4.583 8.207 1.00 0.00 O ATOM 759 CB PHE A 145 74.331 -4.041 8.262 1.00 0.00 C ATOM 760 CG PHE A 145 73.149 -3.203 7.839 1.00 0.00 C ATOM 761 CD1 PHE A 145 72.830 -2.039 8.548 1.00 0.00 C ATOM 762 CD2 PHE A 145 72.374 -3.588 6.738 1.00 0.00 C ATOM 763 CE1 PHE A 145 71.734 -1.259 8.156 1.00 0.00 C ATOM 764 CE2 PHE A 145 71.279 -2.809 6.346 1.00 0.00 C ATOM 765 CZ PHE A 145 70.959 -1.644 7.054 1.00 0.00 C ATOM 0 H PHE A 145 75.317 -3.877 6.078 1.00 0.00 H new ATOM 0 HA PHE A 145 75.517 -2.225 8.509 1.00 0.00 H new ATOM 0 HB2 PHE A 145 74.380 -4.951 7.664 1.00 0.00 H new ATOM 0 HB3 PHE A 145 74.221 -4.349 9.302 1.00 0.00 H new ATOM 0 HD1 PHE A 145 73.428 -1.742 9.397 1.00 0.00 H new ATOM 0 HD2 PHE A 145 72.621 -4.486 6.191 1.00 0.00 H new ATOM 0 HE1 PHE A 145 71.487 -0.361 8.703 1.00 0.00 H new ATOM 0 HE2 PHE A 145 70.681 -3.107 5.497 1.00 0.00 H new ATOM 0 HZ PHE A 145 70.115 -1.042 6.751 1.00 0.00 H new ATOM 775 N LYS A 146 76.889 -3.683 10.087 1.00 0.00 N ATOM 776 CA LYS A 146 78.013 -4.288 10.857 1.00 0.00 C ATOM 777 C LYS A 146 77.673 -5.716 11.301 1.00 0.00 C ATOM 778 O LYS A 146 78.554 -6.514 11.558 1.00 0.00 O ATOM 779 CB LYS A 146 78.190 -3.379 12.075 1.00 0.00 C ATOM 780 CG LYS A 146 79.657 -2.965 12.193 1.00 0.00 C ATOM 781 CD LYS A 146 80.429 -4.033 12.970 1.00 0.00 C ATOM 782 CE LYS A 146 81.139 -4.966 11.986 1.00 0.00 C ATOM 783 NZ LYS A 146 82.577 -4.906 12.370 1.00 0.00 N ATOM 0 H LYS A 146 76.244 -3.115 10.637 1.00 0.00 H new ATOM 0 HA LYS A 146 78.920 -4.361 10.257 1.00 0.00 H new ATOM 0 HB2 LYS A 146 77.559 -2.496 11.978 1.00 0.00 H new ATOM 0 HB3 LYS A 146 77.874 -3.899 12.979 1.00 0.00 H new ATOM 0 HG2 LYS A 146 80.091 -2.837 11.201 1.00 0.00 H new ATOM 0 HG3 LYS A 146 79.735 -2.004 12.701 1.00 0.00 H new ATOM 0 HD2 LYS A 146 81.157 -3.562 13.631 1.00 0.00 H new ATOM 0 HD3 LYS A 146 79.747 -4.603 13.601 1.00 0.00 H new ATOM 0 HE2 LYS A 146 80.753 -5.983 12.057 1.00 0.00 H new ATOM 0 HE3 LYS A 146 80.991 -4.641 10.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 83.131 -5.521 11.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 82.918 -3.927 12.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 82.688 -5.228 13.353 1.00 0.00 H new ATOM 797 N GLU A 147 76.414 -6.053 11.407 1.00 0.00 N ATOM 798 CA GLU A 147 76.064 -7.435 11.847 1.00 0.00 C ATOM 799 C GLU A 147 75.067 -8.081 10.883 1.00 0.00 C ATOM 800 O GLU A 147 74.360 -7.412 10.155 1.00 0.00 O ATOM 801 CB GLU A 147 75.431 -7.258 13.227 1.00 0.00 C ATOM 802 CG GLU A 147 75.634 -8.537 14.044 1.00 0.00 C ATOM 803 CD GLU A 147 74.285 -9.039 14.563 1.00 0.00 C ATOM 804 OE1 GLU A 147 73.279 -8.435 14.226 1.00 0.00 O ATOM 805 OE2 GLU A 147 74.280 -10.019 15.290 1.00 0.00 O ATOM 0 H GLU A 147 75.623 -5.440 11.211 1.00 0.00 H new ATOM 0 HA GLU A 147 76.938 -8.086 11.870 1.00 0.00 H new ATOM 0 HB2 GLU A 147 75.882 -6.409 13.741 1.00 0.00 H new ATOM 0 HB3 GLU A 147 74.367 -7.041 13.127 1.00 0.00 H new ATOM 0 HG2 GLU A 147 76.105 -9.303 13.427 1.00 0.00 H new ATOM 0 HG3 GLU A 147 76.306 -8.343 14.880 1.00 0.00 H new ATOM 812 N SER A 148 74.998 -9.384 10.885 1.00 0.00 N ATOM 813 CA SER A 148 74.041 -10.079 9.983 1.00 0.00 C ATOM 814 C SER A 148 72.617 -9.867 10.496 1.00 0.00 C ATOM 815 O SER A 148 71.712 -9.570 9.743 1.00 0.00 O ATOM 816 CB SER A 148 74.428 -11.553 10.054 1.00 0.00 C ATOM 817 OG SER A 148 73.967 -12.100 11.283 1.00 0.00 O ATOM 0 H SER A 148 75.564 -9.996 11.473 1.00 0.00 H new ATOM 0 HA SER A 148 74.077 -9.706 8.959 1.00 0.00 H new ATOM 0 HB2 SER A 148 73.993 -12.096 9.215 1.00 0.00 H new ATOM 0 HB3 SER A 148 75.510 -11.661 9.977 1.00 0.00 H new ATOM 0 HG SER A 148 74.212 -13.048 11.332 1.00 0.00 H new ATOM 823 N GLU A 149 72.417 -10.007 11.778 1.00 0.00 N ATOM 824 CA GLU A 149 71.056 -9.800 12.342 1.00 0.00 C ATOM 825 C GLU A 149 70.550 -8.407 11.960 1.00 0.00 C ATOM 826 O GLU A 149 69.400 -8.227 11.614 1.00 0.00 O ATOM 827 CB GLU A 149 71.223 -9.923 13.857 1.00 0.00 C ATOM 828 CG GLU A 149 70.113 -10.809 14.424 1.00 0.00 C ATOM 829 CD GLU A 149 69.652 -10.251 15.772 1.00 0.00 C ATOM 830 OE1 GLU A 149 69.091 -9.169 15.782 1.00 0.00 O ATOM 831 OE2 GLU A 149 69.868 -10.918 16.771 1.00 0.00 O ATOM 0 H GLU A 149 73.137 -10.255 12.457 1.00 0.00 H new ATOM 0 HA GLU A 149 70.332 -10.521 11.964 1.00 0.00 H new ATOM 0 HB2 GLU A 149 72.198 -10.349 14.092 1.00 0.00 H new ATOM 0 HB3 GLU A 149 71.186 -8.936 14.319 1.00 0.00 H new ATOM 0 HG2 GLU A 149 69.274 -10.849 13.729 1.00 0.00 H new ATOM 0 HG3 GLU A 149 70.475 -11.830 14.546 1.00 0.00 H new ATOM 838 N SER A 150 71.405 -7.419 12.006 1.00 0.00 N ATOM 839 CA SER A 150 70.960 -6.047 11.627 1.00 0.00 C ATOM 840 C SER A 150 70.525 -6.042 10.159 1.00 0.00 C ATOM 841 O SER A 150 69.607 -5.343 9.773 1.00 0.00 O ATOM 842 CB SER A 150 72.177 -5.138 11.835 1.00 0.00 C ATOM 843 OG SER A 150 73.373 -5.855 11.548 1.00 0.00 O ATOM 0 H SER A 150 72.382 -7.501 12.287 1.00 0.00 H new ATOM 0 HA SER A 150 70.113 -5.708 12.223 1.00 0.00 H new ATOM 0 HB2 SER A 150 72.103 -4.263 11.189 1.00 0.00 H new ATOM 0 HB3 SER A 150 72.199 -4.774 12.862 1.00 0.00 H new ATOM 0 HG SER A 150 73.256 -6.369 10.722 1.00 0.00 H new ATOM 849 N VAL A 151 71.170 -6.826 9.338 1.00 0.00 N ATOM 850 CA VAL A 151 70.787 -6.870 7.897 1.00 0.00 C ATOM 851 C VAL A 151 69.470 -7.635 7.722 1.00 0.00 C ATOM 852 O VAL A 151 68.536 -7.146 7.120 1.00 0.00 O ATOM 853 CB VAL A 151 71.931 -7.604 7.197 1.00 0.00 C ATOM 854 CG1 VAL A 151 71.824 -7.391 5.687 1.00 0.00 C ATOM 855 CG2 VAL A 151 73.270 -7.057 7.695 1.00 0.00 C ATOM 0 H VAL A 151 71.944 -7.436 9.601 1.00 0.00 H new ATOM 0 HA VAL A 151 70.634 -5.873 7.483 1.00 0.00 H new ATOM 0 HB VAL A 151 71.869 -8.669 7.420 1.00 0.00 H new ATOM 0 HG11 VAL A 151 72.639 -7.914 5.187 1.00 0.00 H new ATOM 0 HG12 VAL A 151 70.870 -7.781 5.331 1.00 0.00 H new ATOM 0 HG13 VAL A 151 71.886 -6.326 5.465 1.00 0.00 H new ATOM 0 HG21 VAL A 151 74.085 -7.581 7.196 1.00 0.00 H new ATOM 0 HG22 VAL A 151 73.333 -5.992 7.473 1.00 0.00 H new ATOM 0 HG23 VAL A 151 73.347 -7.208 8.772 1.00 0.00 H new ATOM 865 N ASP A 152 69.385 -8.831 8.239 1.00 0.00 N ATOM 866 CA ASP A 152 68.124 -9.612 8.088 1.00 0.00 C ATOM 867 C ASP A 152 66.928 -8.763 8.536 1.00 0.00 C ATOM 868 O ASP A 152 65.868 -8.804 7.944 1.00 0.00 O ATOM 869 CB ASP A 152 68.309 -10.854 8.980 1.00 0.00 C ATOM 870 CG ASP A 152 67.684 -10.633 10.364 1.00 0.00 C ATOM 871 OD1 ASP A 152 66.479 -10.784 10.478 1.00 0.00 O ATOM 872 OD2 ASP A 152 68.421 -10.315 11.282 1.00 0.00 O ATOM 0 H ASP A 152 70.129 -9.299 8.756 1.00 0.00 H new ATOM 0 HA ASP A 152 67.926 -9.900 7.055 1.00 0.00 H new ATOM 0 HB2 ASP A 152 67.850 -11.720 8.504 1.00 0.00 H new ATOM 0 HB3 ASP A 152 69.371 -11.075 9.087 1.00 0.00 H new ATOM 877 N LYS A 153 67.094 -7.995 9.577 1.00 0.00 N ATOM 878 CA LYS A 153 65.971 -7.146 10.063 1.00 0.00 C ATOM 879 C LYS A 153 65.618 -6.091 9.011 1.00 0.00 C ATOM 880 O LYS A 153 64.464 -5.883 8.694 1.00 0.00 O ATOM 881 CB LYS A 153 66.492 -6.484 11.338 1.00 0.00 C ATOM 882 CG LYS A 153 65.433 -6.595 12.437 1.00 0.00 C ATOM 883 CD LYS A 153 64.692 -5.263 12.573 1.00 0.00 C ATOM 884 CE LYS A 153 65.526 -4.297 13.418 1.00 0.00 C ATOM 885 NZ LYS A 153 64.528 -3.459 14.137 1.00 0.00 N ATOM 0 H LYS A 153 67.959 -7.919 10.112 1.00 0.00 H new ATOM 0 HA LYS A 153 65.066 -7.724 10.250 1.00 0.00 H new ATOM 0 HB2 LYS A 153 67.417 -6.964 11.659 1.00 0.00 H new ATOM 0 HB3 LYS A 153 66.726 -5.437 11.148 1.00 0.00 H new ATOM 0 HG2 LYS A 153 64.729 -7.392 12.198 1.00 0.00 H new ATOM 0 HG3 LYS A 153 65.904 -6.859 13.384 1.00 0.00 H new ATOM 0 HD2 LYS A 153 64.508 -4.835 11.588 1.00 0.00 H new ATOM 0 HD3 LYS A 153 63.719 -5.422 13.038 1.00 0.00 H new ATOM 0 HE2 LYS A 153 66.167 -4.835 14.116 1.00 0.00 H new ATOM 0 HE3 LYS A 153 66.178 -3.687 12.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 65.022 -2.770 14.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 63.937 -2.954 13.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 63.926 -4.067 14.729 1.00 0.00 H new ATOM 899 N VAL A 154 66.596 -5.423 8.465 1.00 0.00 N ATOM 900 CA VAL A 154 66.295 -4.390 7.435 1.00 0.00 C ATOM 901 C VAL A 154 65.716 -5.055 6.180 1.00 0.00 C ATOM 902 O VAL A 154 65.183 -4.399 5.306 1.00 0.00 O ATOM 903 CB VAL A 154 67.642 -3.713 7.142 1.00 0.00 C ATOM 904 CG1 VAL A 154 68.427 -4.509 6.093 1.00 0.00 C ATOM 905 CG2 VAL A 154 67.396 -2.295 6.619 1.00 0.00 C ATOM 0 H VAL A 154 67.584 -5.546 8.686 1.00 0.00 H new ATOM 0 HA VAL A 154 65.554 -3.665 7.770 1.00 0.00 H new ATOM 0 HB VAL A 154 68.222 -3.675 8.064 1.00 0.00 H new ATOM 0 HG11 VAL A 154 69.379 -4.014 5.898 1.00 0.00 H new ATOM 0 HG12 VAL A 154 68.611 -5.517 6.464 1.00 0.00 H new ATOM 0 HG13 VAL A 154 67.850 -4.562 5.170 1.00 0.00 H new ATOM 0 HG21 VAL A 154 68.351 -1.813 6.411 1.00 0.00 H new ATOM 0 HG22 VAL A 154 66.806 -2.342 5.704 1.00 0.00 H new ATOM 0 HG23 VAL A 154 66.855 -1.719 7.370 1.00 0.00 H new ATOM 915 N MET A 155 65.824 -6.354 6.085 1.00 0.00 N ATOM 916 CA MET A 155 65.288 -7.064 4.887 1.00 0.00 C ATOM 917 C MET A 155 63.825 -7.467 5.104 1.00 0.00 C ATOM 918 O MET A 155 62.966 -7.168 4.299 1.00 0.00 O ATOM 919 CB MET A 155 66.169 -8.305 4.733 1.00 0.00 C ATOM 920 CG MET A 155 65.988 -8.890 3.331 1.00 0.00 C ATOM 921 SD MET A 155 67.341 -8.332 2.266 1.00 0.00 S ATOM 922 CE MET A 155 66.506 -8.600 0.684 1.00 0.00 C ATOM 0 H MET A 155 66.260 -6.954 6.785 1.00 0.00 H new ATOM 0 HA MET A 155 65.308 -6.434 3.998 1.00 0.00 H new ATOM 0 HB2 MET A 155 67.215 -8.044 4.897 1.00 0.00 H new ATOM 0 HB3 MET A 155 65.904 -9.048 5.485 1.00 0.00 H new ATOM 0 HG2 MET A 155 65.974 -9.979 3.379 1.00 0.00 H new ATOM 0 HG3 MET A 155 65.030 -8.576 2.915 1.00 0.00 H new ATOM 0 HE1 MET A 155 67.240 -8.875 -0.073 1.00 0.00 H new ATOM 0 HE2 MET A 155 65.776 -9.402 0.789 1.00 0.00 H new ATOM 0 HE3 MET A 155 65.998 -7.684 0.381 1.00 0.00 H new ATOM 932 N ASP A 156 63.533 -8.148 6.180 1.00 0.00 N ATOM 933 CA ASP A 156 62.122 -8.568 6.431 1.00 0.00 C ATOM 934 C ASP A 156 61.190 -7.352 6.351 1.00 0.00 C ATOM 935 O ASP A 156 60.044 -7.459 5.960 1.00 0.00 O ATOM 936 CB ASP A 156 62.127 -9.189 7.838 1.00 0.00 C ATOM 937 CG ASP A 156 61.852 -8.120 8.902 1.00 0.00 C ATOM 938 OD1 ASP A 156 62.481 -7.078 8.844 1.00 0.00 O ATOM 939 OD2 ASP A 156 61.016 -8.364 9.756 1.00 0.00 O ATOM 0 H ASP A 156 64.206 -8.431 6.893 1.00 0.00 H new ATOM 0 HA ASP A 156 61.759 -9.282 5.691 1.00 0.00 H new ATOM 0 HB2 ASP A 156 61.371 -9.972 7.898 1.00 0.00 H new ATOM 0 HB3 ASP A 156 63.091 -9.661 8.030 1.00 0.00 H new ATOM 944 N GLN A 157 61.678 -6.197 6.712 1.00 0.00 N ATOM 945 CA GLN A 157 60.830 -4.973 6.653 1.00 0.00 C ATOM 946 C GLN A 157 61.365 -4.026 5.574 1.00 0.00 C ATOM 947 O GLN A 157 62.040 -3.057 5.865 1.00 0.00 O ATOM 948 CB GLN A 157 60.959 -4.336 8.038 1.00 0.00 C ATOM 949 CG GLN A 157 59.748 -4.716 8.893 1.00 0.00 C ATOM 950 CD GLN A 157 58.588 -3.763 8.589 1.00 0.00 C ATOM 951 OE1 GLN A 157 57.566 -4.176 8.078 1.00 0.00 O ATOM 952 NE2 GLN A 157 58.704 -2.498 8.886 1.00 0.00 N ATOM 0 H GLN A 157 62.630 -6.048 7.046 1.00 0.00 H new ATOM 0 HA GLN A 157 59.792 -5.194 6.404 1.00 0.00 H new ATOM 0 HB2 GLN A 157 61.877 -4.672 8.520 1.00 0.00 H new ATOM 0 HB3 GLN A 157 61.026 -3.252 7.946 1.00 0.00 H new ATOM 0 HG2 GLN A 157 59.452 -5.744 8.686 1.00 0.00 H new ATOM 0 HG3 GLN A 157 60.006 -4.666 9.951 1.00 0.00 H new ATOM 0 HE21 GLN A 157 59.562 -2.151 9.315 1.00 0.00 H new ATOM 0 HE22 GLN A 157 57.937 -1.855 8.689 1.00 0.00 H new ATOM 961 N LYS A 158 61.079 -4.304 4.331 1.00 0.00 N ATOM 962 CA LYS A 158 61.586 -3.425 3.236 1.00 0.00 C ATOM 963 C LYS A 158 60.633 -2.266 2.981 1.00 0.00 C ATOM 964 O LYS A 158 60.616 -1.688 1.914 1.00 0.00 O ATOM 965 CB LYS A 158 61.682 -4.327 2.007 1.00 0.00 C ATOM 966 CG LYS A 158 60.274 -4.634 1.491 1.00 0.00 C ATOM 967 CD LYS A 158 60.359 -5.619 0.322 1.00 0.00 C ATOM 968 CE LYS A 158 58.954 -5.882 -0.226 1.00 0.00 C ATOM 969 NZ LYS A 158 58.840 -5.007 -1.426 1.00 0.00 N ATOM 0 H LYS A 158 60.518 -5.099 4.026 1.00 0.00 H new ATOM 0 HA LYS A 158 62.548 -2.980 3.490 1.00 0.00 H new ATOM 0 HB2 LYS A 158 62.268 -3.839 1.229 1.00 0.00 H new ATOM 0 HB3 LYS A 158 62.198 -5.253 2.261 1.00 0.00 H new ATOM 0 HG2 LYS A 158 59.666 -5.056 2.292 1.00 0.00 H new ATOM 0 HG3 LYS A 158 59.785 -3.714 1.170 1.00 0.00 H new ATOM 0 HD2 LYS A 158 60.997 -5.214 -0.463 1.00 0.00 H new ATOM 0 HD3 LYS A 158 60.813 -6.553 0.652 1.00 0.00 H new ATOM 0 HE2 LYS A 158 58.823 -6.932 -0.489 1.00 0.00 H new ATOM 0 HE3 LYS A 158 58.190 -5.640 0.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 57.902 -5.131 -1.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 58.963 -4.013 -1.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 59.575 -5.265 -2.115 1.00 0.00 H new ATOM 983 N GLU A 159 59.878 -1.887 3.964 1.00 0.00 N ATOM 984 CA GLU A 159 58.979 -0.727 3.780 1.00 0.00 C ATOM 985 C GLU A 159 59.778 0.507 4.147 1.00 0.00 C ATOM 986 O GLU A 159 59.539 1.157 5.144 1.00 0.00 O ATOM 987 CB GLU A 159 57.845 -0.928 4.761 1.00 0.00 C ATOM 988 CG GLU A 159 56.562 -1.279 4.007 1.00 0.00 C ATOM 989 CD GLU A 159 55.358 -1.109 4.935 1.00 0.00 C ATOM 990 OE1 GLU A 159 55.063 -2.041 5.665 1.00 0.00 O ATOM 991 OE2 GLU A 159 54.754 -0.050 4.902 1.00 0.00 O ATOM 0 H GLU A 159 59.844 -2.328 4.883 1.00 0.00 H new ATOM 0 HA GLU A 159 58.594 -0.624 2.766 1.00 0.00 H new ATOM 0 HB2 GLU A 159 58.095 -1.725 5.461 1.00 0.00 H new ATOM 0 HB3 GLU A 159 57.696 -0.022 5.349 1.00 0.00 H new ATOM 0 HG2 GLU A 159 56.454 -0.636 3.134 1.00 0.00 H new ATOM 0 HG3 GLU A 159 56.611 -2.305 3.643 1.00 0.00 H new ATOM 998 N HIS A 160 60.760 0.795 3.357 1.00 0.00 N ATOM 999 CA HIS A 160 61.642 1.950 3.652 1.00 0.00 C ATOM 1000 C HIS A 160 61.056 3.240 3.075 1.00 0.00 C ATOM 1001 O HIS A 160 60.003 3.241 2.469 1.00 0.00 O ATOM 1002 CB HIS A 160 62.960 1.627 2.953 1.00 0.00 C ATOM 1003 CG HIS A 160 63.627 0.475 3.647 1.00 0.00 C ATOM 1004 ND1 HIS A 160 64.581 0.657 4.655 1.00 0.00 N ATOM 1005 CD2 HIS A 160 63.494 -0.883 3.492 1.00 0.00 C ATOM 1006 CE1 HIS A 160 64.981 -0.566 5.063 1.00 0.00 C ATOM 1007 NE2 HIS A 160 64.345 -1.507 4.383 1.00 0.00 N ATOM 0 H HIS A 160 60.995 0.277 2.510 1.00 0.00 H new ATOM 0 HA HIS A 160 61.761 2.103 4.725 1.00 0.00 H new ATOM 0 HB2 HIS A 160 62.778 1.379 1.907 1.00 0.00 H new ATOM 0 HB3 HIS A 160 63.613 2.500 2.965 1.00 0.00 H new ATOM 0 HD2 HIS A 160 62.836 -1.378 2.793 1.00 0.00 H new ATOM 0 HE1 HIS A 160 65.715 -0.750 5.834 1.00 0.00 H new ATOM 0 HE2 HIS A 160 64.463 -2.514 4.497 1.00 0.00 H new ATOM 1015 N LYS A 161 61.733 4.338 3.262 1.00 0.00 N ATOM 1016 CA LYS A 161 61.227 5.634 2.730 1.00 0.00 C ATOM 1017 C LYS A 161 62.206 6.754 3.085 1.00 0.00 C ATOM 1018 O LYS A 161 62.033 7.454 4.063 1.00 0.00 O ATOM 1019 CB LYS A 161 59.884 5.849 3.431 1.00 0.00 C ATOM 1020 CG LYS A 161 58.961 6.668 2.529 1.00 0.00 C ATOM 1021 CD LYS A 161 57.555 6.699 3.132 1.00 0.00 C ATOM 1022 CE LYS A 161 57.623 7.236 4.564 1.00 0.00 C ATOM 1023 NZ LYS A 161 56.217 7.194 5.052 1.00 0.00 N ATOM 0 H LYS A 161 62.620 4.394 3.763 1.00 0.00 H new ATOM 0 HA LYS A 161 61.121 5.631 1.645 1.00 0.00 H new ATOM 0 HB2 LYS A 161 59.425 4.888 3.662 1.00 0.00 H new ATOM 0 HB3 LYS A 161 60.035 6.366 4.379 1.00 0.00 H new ATOM 0 HG2 LYS A 161 59.345 7.682 2.423 1.00 0.00 H new ATOM 0 HG3 LYS A 161 58.931 6.232 1.530 1.00 0.00 H new ATOM 0 HD2 LYS A 161 56.903 7.329 2.527 1.00 0.00 H new ATOM 0 HD3 LYS A 161 57.124 5.698 3.128 1.00 0.00 H new ATOM 0 HE2 LYS A 161 58.276 6.624 5.186 1.00 0.00 H new ATOM 0 HE3 LYS A 161 58.020 8.251 4.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 56.178 7.547 6.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 55.621 7.791 4.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 55.869 6.214 5.024 1.00 0.00 H new ATOM 1037 N LEU A 162 63.239 6.925 2.306 1.00 0.00 N ATOM 1038 CA LEU A 162 64.229 7.992 2.612 1.00 0.00 C ATOM 1039 C LEU A 162 63.991 9.195 1.696 1.00 0.00 C ATOM 1040 O LEU A 162 63.599 9.049 0.556 1.00 0.00 O ATOM 1041 CB LEU A 162 65.616 7.389 2.336 1.00 0.00 C ATOM 1042 CG LEU A 162 65.575 5.856 2.304 1.00 0.00 C ATOM 1043 CD1 LEU A 162 66.999 5.314 2.171 1.00 0.00 C ATOM 1044 CD2 LEU A 162 64.954 5.334 3.599 1.00 0.00 C ATOM 0 H LEU A 162 63.439 6.372 1.472 1.00 0.00 H new ATOM 0 HA LEU A 162 64.144 8.332 3.644 1.00 0.00 H new ATOM 0 HB2 LEU A 162 65.992 7.762 1.383 1.00 0.00 H new ATOM 0 HB3 LEU A 162 66.315 7.718 3.105 1.00 0.00 H new ATOM 0 HG LEU A 162 64.976 5.526 1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 162 66.973 4.225 2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 162 67.445 5.686 1.249 1.00 0.00 H new ATOM 0 HD13 LEU A 162 67.595 5.645 3.021 1.00 0.00 H new ATOM 0 HD21 LEU A 162 64.925 4.245 3.575 1.00 0.00 H new ATOM 0 HD22 LEU A 162 65.553 5.663 4.448 1.00 0.00 H new ATOM 0 HD23 LEU A 162 63.940 5.722 3.698 1.00 0.00 H new ATOM 1056 N ASN A 163 64.225 10.381 2.183 1.00 0.00 N ATOM 1057 CA ASN A 163 64.009 11.587 1.332 1.00 0.00 C ATOM 1058 C ASN A 163 62.587 11.577 0.760 1.00 0.00 C ATOM 1059 O ASN A 163 62.289 12.258 -0.200 1.00 0.00 O ATOM 1060 CB ASN A 163 65.040 11.467 0.206 1.00 0.00 C ATOM 1061 CG ASN A 163 66.386 12.016 0.681 1.00 0.00 C ATOM 1062 OD1 ASN A 163 67.410 11.381 0.508 1.00 0.00 O ATOM 1063 ND2 ASN A 163 66.433 13.178 1.274 1.00 0.00 N ATOM 0 H ASN A 163 64.555 10.569 3.130 1.00 0.00 H new ATOM 0 HA ASN A 163 64.123 12.516 1.891 1.00 0.00 H new ATOM 0 HB2 ASN A 163 65.147 10.424 -0.093 1.00 0.00 H new ATOM 0 HB3 ASN A 163 64.701 12.018 -0.671 1.00 0.00 H new ATOM 0 HD21 ASN A 163 67.327 13.553 1.592 1.00 0.00 H new ATOM 0 HD22 ASN A 163 65.576 13.711 1.420 1.00 0.00 H new ATOM 1070 N GLY A 164 61.706 10.809 1.341 1.00 0.00 N ATOM 1071 CA GLY A 164 60.309 10.759 0.828 1.00 0.00 C ATOM 1072 C GLY A 164 60.225 9.780 -0.345 1.00 0.00 C ATOM 1073 O GLY A 164 59.406 9.927 -1.229 1.00 0.00 O ATOM 0 H GLY A 164 61.894 10.215 2.148 1.00 0.00 H new ATOM 0 HA2 GLY A 164 59.630 10.449 1.623 1.00 0.00 H new ATOM 0 HA3 GLY A 164 59.993 11.752 0.509 1.00 0.00 H new ATOM 1077 N LYS A 165 61.066 8.781 -0.363 1.00 0.00 N ATOM 1078 CA LYS A 165 61.028 7.798 -1.486 1.00 0.00 C ATOM 1079 C LYS A 165 61.384 6.397 -0.982 1.00 0.00 C ATOM 1080 O LYS A 165 62.222 6.230 -0.118 1.00 0.00 O ATOM 1081 CB LYS A 165 62.084 8.291 -2.475 1.00 0.00 C ATOM 1082 CG LYS A 165 61.396 8.942 -3.676 1.00 0.00 C ATOM 1083 CD LYS A 165 62.455 9.410 -4.676 1.00 0.00 C ATOM 1084 CE LYS A 165 63.095 10.706 -4.175 1.00 0.00 C ATOM 1085 NZ LYS A 165 62.003 11.717 -4.225 1.00 0.00 N ATOM 0 H LYS A 165 61.775 8.603 0.348 1.00 0.00 H new ATOM 0 HA LYS A 165 60.039 7.729 -1.939 1.00 0.00 H new ATOM 0 HB2 LYS A 165 62.746 9.008 -1.989 1.00 0.00 H new ATOM 0 HB3 LYS A 165 62.704 7.458 -2.806 1.00 0.00 H new ATOM 0 HG2 LYS A 165 60.720 8.231 -4.151 1.00 0.00 H new ATOM 0 HG3 LYS A 165 60.791 9.787 -3.348 1.00 0.00 H new ATOM 0 HD2 LYS A 165 63.217 8.641 -4.801 1.00 0.00 H new ATOM 0 HD3 LYS A 165 62.001 9.571 -5.654 1.00 0.00 H new ATOM 0 HE2 LYS A 165 63.480 10.590 -3.162 1.00 0.00 H new ATOM 0 HE3 LYS A 165 63.935 11.001 -4.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 62.401 12.647 -4.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 61.306 11.440 -4.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 61.538 11.772 -3.297 1.00 0.00 H new ATOM 1099 N VAL A 166 60.753 5.386 -1.516 1.00 0.00 N ATOM 1100 CA VAL A 166 61.058 3.998 -1.068 1.00 0.00 C ATOM 1101 C VAL A 166 62.337 3.493 -1.738 1.00 0.00 C ATOM 1102 O VAL A 166 62.857 4.107 -2.648 1.00 0.00 O ATOM 1103 CB VAL A 166 59.858 3.163 -1.515 1.00 0.00 C ATOM 1104 CG1 VAL A 166 59.949 1.767 -0.899 1.00 0.00 C ATOM 1105 CG2 VAL A 166 58.567 3.839 -1.051 1.00 0.00 C ATOM 0 H VAL A 166 60.041 5.462 -2.242 1.00 0.00 H new ATOM 0 HA VAL A 166 61.218 3.940 0.009 1.00 0.00 H new ATOM 0 HB VAL A 166 59.858 3.081 -2.602 1.00 0.00 H new ATOM 0 HG11 VAL A 166 59.093 1.172 -1.218 1.00 0.00 H new ATOM 0 HG12 VAL A 166 60.869 1.284 -1.227 1.00 0.00 H new ATOM 0 HG13 VAL A 166 59.949 1.848 0.188 1.00 0.00 H new ATOM 0 HG21 VAL A 166 57.710 3.245 -1.369 1.00 0.00 H new ATOM 0 HG22 VAL A 166 58.569 3.920 0.036 1.00 0.00 H new ATOM 0 HG23 VAL A 166 58.500 4.835 -1.489 1.00 0.00 H new ATOM 1115 N ILE A 167 62.848 2.376 -1.297 1.00 0.00 N ATOM 1116 CA ILE A 167 64.096 1.832 -1.911 1.00 0.00 C ATOM 1117 C ILE A 167 63.928 0.354 -2.256 1.00 0.00 C ATOM 1118 O ILE A 167 62.893 -0.243 -2.032 1.00 0.00 O ATOM 1119 CB ILE A 167 65.203 1.970 -0.854 1.00 0.00 C ATOM 1120 CG1 ILE A 167 64.603 1.982 0.559 1.00 0.00 C ATOM 1121 CG2 ILE A 167 65.992 3.254 -1.095 1.00 0.00 C ATOM 1122 CD1 ILE A 167 65.720 2.169 1.589 1.00 0.00 C ATOM 0 H ILE A 167 62.457 1.816 -0.539 1.00 0.00 H new ATOM 0 HA ILE A 167 64.333 2.372 -2.828 1.00 0.00 H new ATOM 0 HB ILE A 167 65.873 1.114 -0.938 1.00 0.00 H new ATOM 0 HG12 ILE A 167 63.873 2.787 0.648 1.00 0.00 H new ATOM 0 HG13 ILE A 167 64.073 1.049 0.748 1.00 0.00 H new ATOM 0 HG21 ILE A 167 66.775 3.346 -0.343 1.00 0.00 H new ATOM 0 HG22 ILE A 167 66.443 3.223 -2.087 1.00 0.00 H new ATOM 0 HG23 ILE A 167 65.322 4.111 -1.028 1.00 0.00 H new ATOM 0 HD11 ILE A 167 65.293 2.177 2.592 1.00 0.00 H new ATOM 0 HD12 ILE A 167 66.433 1.349 1.505 1.00 0.00 H new ATOM 0 HD13 ILE A 167 66.231 3.114 1.404 1.00 0.00 H new ATOM 1134 N ASP A 168 64.963 -0.238 -2.774 1.00 0.00 N ATOM 1135 CA ASP A 168 64.923 -1.680 -3.115 1.00 0.00 C ATOM 1136 C ASP A 168 66.008 -2.385 -2.307 1.00 0.00 C ATOM 1137 O ASP A 168 67.110 -2.586 -2.785 1.00 0.00 O ATOM 1138 CB ASP A 168 65.222 -1.750 -4.613 1.00 0.00 C ATOM 1139 CG ASP A 168 64.911 -3.153 -5.134 1.00 0.00 C ATOM 1140 OD1 ASP A 168 63.755 -3.413 -5.425 1.00 0.00 O ATOM 1141 OD2 ASP A 168 65.833 -3.946 -5.233 1.00 0.00 O ATOM 0 H ASP A 168 65.849 0.225 -2.978 1.00 0.00 H new ATOM 0 HA ASP A 168 63.968 -2.155 -2.890 1.00 0.00 H new ATOM 0 HB2 ASP A 168 64.624 -1.012 -5.148 1.00 0.00 H new ATOM 0 HB3 ASP A 168 66.268 -1.507 -4.797 1.00 0.00 H new ATOM 1146 N PRO A 169 65.665 -2.701 -1.087 1.00 0.00 N ATOM 1147 CA PRO A 169 66.622 -3.359 -0.167 1.00 0.00 C ATOM 1148 C PRO A 169 66.852 -4.817 -0.567 1.00 0.00 C ATOM 1149 O PRO A 169 65.965 -5.644 -0.488 1.00 0.00 O ATOM 1150 CB PRO A 169 65.932 -3.268 1.192 1.00 0.00 C ATOM 1151 CG PRO A 169 64.475 -3.160 0.881 1.00 0.00 C ATOM 1152 CD PRO A 169 64.358 -2.476 -0.458 1.00 0.00 C ATOM 0 HA PRO A 169 67.607 -2.892 -0.175 1.00 0.00 H new ATOM 0 HB2 PRO A 169 66.141 -4.148 1.800 1.00 0.00 H new ATOM 0 HB3 PRO A 169 66.281 -2.402 1.754 1.00 0.00 H new ATOM 0 HG2 PRO A 169 64.013 -4.147 0.851 1.00 0.00 H new ATOM 0 HG3 PRO A 169 63.958 -2.589 1.652 1.00 0.00 H new ATOM 0 HD2 PRO A 169 63.550 -2.900 -1.054 1.00 0.00 H new ATOM 0 HD3 PRO A 169 64.147 -1.413 -0.346 1.00 0.00 H new ATOM 1160 N LYS A 170 68.045 -5.136 -0.979 1.00 0.00 N ATOM 1161 CA LYS A 170 68.360 -6.537 -1.372 1.00 0.00 C ATOM 1162 C LYS A 170 69.704 -6.931 -0.786 1.00 0.00 C ATOM 1163 O LYS A 170 70.411 -6.118 -0.238 1.00 0.00 O ATOM 1164 CB LYS A 170 68.475 -6.527 -2.888 1.00 0.00 C ATOM 1165 CG LYS A 170 67.119 -6.847 -3.519 1.00 0.00 C ATOM 1166 CD LYS A 170 67.333 -7.622 -4.820 1.00 0.00 C ATOM 1167 CE LYS A 170 67.412 -6.642 -5.993 1.00 0.00 C ATOM 1168 NZ LYS A 170 68.848 -6.254 -6.075 1.00 0.00 N ATOM 0 H LYS A 170 68.823 -4.481 -1.061 1.00 0.00 H new ATOM 0 HA LYS A 170 67.600 -7.235 -1.020 1.00 0.00 H new ATOM 0 HB2 LYS A 170 68.822 -5.551 -3.228 1.00 0.00 H new ATOM 0 HB3 LYS A 170 69.216 -7.259 -3.209 1.00 0.00 H new ATOM 0 HG2 LYS A 170 66.514 -7.434 -2.828 1.00 0.00 H new ATOM 0 HG3 LYS A 170 66.572 -5.926 -3.718 1.00 0.00 H new ATOM 0 HD2 LYS A 170 68.250 -8.208 -4.760 1.00 0.00 H new ATOM 0 HD3 LYS A 170 66.515 -8.326 -4.975 1.00 0.00 H new ATOM 0 HE2 LYS A 170 67.075 -7.107 -6.919 1.00 0.00 H new ATOM 0 HE3 LYS A 170 66.777 -5.772 -5.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 69.145 -6.231 -7.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 68.978 -5.312 -5.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 69.425 -6.947 -5.557 1.00 0.00 H new ATOM 1182 N ARG A 171 70.085 -8.162 -0.913 1.00 0.00 N ATOM 1183 CA ARG A 171 71.407 -8.556 -0.375 1.00 0.00 C ATOM 1184 C ARG A 171 72.468 -8.430 -1.463 1.00 0.00 C ATOM 1185 O ARG A 171 72.253 -7.816 -2.489 1.00 0.00 O ATOM 1186 CB ARG A 171 71.256 -10.003 0.089 1.00 0.00 C ATOM 1187 CG ARG A 171 70.987 -10.900 -1.119 1.00 0.00 C ATOM 1188 CD ARG A 171 72.163 -11.858 -1.318 1.00 0.00 C ATOM 1189 NE ARG A 171 71.831 -12.618 -2.555 1.00 0.00 N ATOM 1190 CZ ARG A 171 72.055 -13.901 -2.611 1.00 0.00 C ATOM 1191 NH1 ARG A 171 73.098 -14.408 -2.013 1.00 0.00 N ATOM 1192 NH2 ARG A 171 71.236 -14.678 -3.266 1.00 0.00 N ATOM 0 H ARG A 171 69.548 -8.905 -1.360 1.00 0.00 H new ATOM 0 HA ARG A 171 71.723 -7.917 0.450 1.00 0.00 H new ATOM 0 HB2 ARG A 171 72.161 -10.328 0.602 1.00 0.00 H new ATOM 0 HB3 ARG A 171 70.438 -10.083 0.804 1.00 0.00 H new ATOM 0 HG2 ARG A 171 70.067 -11.464 -0.968 1.00 0.00 H new ATOM 0 HG3 ARG A 171 70.845 -10.292 -2.012 1.00 0.00 H new ATOM 0 HD2 ARG A 171 73.101 -11.315 -1.428 1.00 0.00 H new ATOM 0 HD3 ARG A 171 72.279 -12.525 -0.463 1.00 0.00 H new ATOM 0 HE ARG A 171 71.429 -12.135 -3.358 1.00 0.00 H new ATOM 0 HH11 ARG A 171 73.738 -13.800 -1.502 1.00 0.00 H new ATOM 0 HH12 ARG A 171 73.273 -15.412 -2.057 1.00 0.00 H new ATOM 0 HH21 ARG A 171 70.421 -14.281 -3.734 1.00 0.00 H new ATOM 0 HH22 ARG A 171 71.411 -15.682 -3.310 1.00 0.00 H new ATOM 1206 N ALA A 172 73.615 -8.995 -1.239 1.00 0.00 N ATOM 1207 CA ALA A 172 74.698 -8.895 -2.252 1.00 0.00 C ATOM 1208 C ALA A 172 75.371 -10.257 -2.457 1.00 0.00 C ATOM 1209 O ALA A 172 76.420 -10.531 -1.910 1.00 0.00 O ATOM 1210 CB ALA A 172 75.671 -7.882 -1.653 1.00 0.00 C ATOM 0 H ALA A 172 73.852 -9.522 -0.399 1.00 0.00 H new ATOM 0 HA ALA A 172 74.335 -8.590 -3.233 1.00 0.00 H new ATOM 0 HB1 ALA A 172 76.511 -7.739 -2.332 1.00 0.00 H new ATOM 0 HB2 ALA A 172 75.160 -6.931 -1.503 1.00 0.00 H new ATOM 0 HB3 ALA A 172 76.037 -8.252 -0.695 1.00 0.00 H new TER 1216 ALA A 172