USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=15 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 108 THR OG1 : rot 113:sc= -1.65! USER MOD Set 1.2: A 163 ASN : amide:sc= -1.55 K(o=-3.2,f=-7.5!) USER MOD Set 2.1: A 116 TYR OH : rot -138:sc= -2.08! USER MOD Set 2.2: A 160 HIS : no HD1:sc= -21.2! C(o=-23!,f=-28!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -126:sc= -7.21! (180deg=-14.5!) USER MOD Single : A 105 SER OG : rot 180:sc= -0.016 USER MOD Single : A 109 THR OG1 : rot -74:sc= 1.18 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot -44:sc= 0.0144 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 CYS SG : rot -110:sc= -2.92 USER MOD Single : A 127 THR OG1 : rot 35:sc= 0.4 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0.116 USER MOD Single : A 137 SER OG : rot 177:sc= 0.0251 USER MOD Single : A 146 LYS NZ :NH3+ -110:sc= 0.737 (180deg=-0.841) USER MOD Single : A 148 SER OG : rot 180:sc= 0 USER MOD Single : A 150 SER OG : rot -32:sc= -0.693 USER MOD Single : A 153 LYS NZ :NH3+ 162:sc=0.000381 (180deg=0) USER MOD Single : A 155 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 157 GLN : amide:sc=-0.00057 X(o=-0.00057,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+ 180:sc= 0 (180deg=0) USER MOD Single : A 170 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.493) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 98 76.697 -7.075 3.653 1.00 0.00 N ATOM 2 CA LYS A 98 76.474 -5.866 2.807 1.00 0.00 C ATOM 3 C LYS A 98 75.205 -6.032 1.968 1.00 0.00 C ATOM 4 O LYS A 98 74.795 -7.133 1.657 1.00 0.00 O ATOM 5 CB LYS A 98 77.702 -5.781 1.900 1.00 0.00 C ATOM 6 CG LYS A 98 78.968 -6.035 2.721 1.00 0.00 C ATOM 7 CD LYS A 98 80.198 -5.823 1.836 1.00 0.00 C ATOM 8 CE LYS A 98 81.468 -5.999 2.670 1.00 0.00 C ATOM 9 NZ LYS A 98 81.968 -7.358 2.325 1.00 0.00 N ATOM 0 HA LYS A 98 76.345 -4.965 3.407 1.00 0.00 H new ATOM 0 HB2 LYS A 98 77.624 -6.514 1.097 1.00 0.00 H new ATOM 0 HB3 LYS A 98 77.752 -4.798 1.431 1.00 0.00 H new ATOM 0 HG2 LYS A 98 79.001 -5.361 3.577 1.00 0.00 H new ATOM 0 HG3 LYS A 98 78.961 -7.051 3.116 1.00 0.00 H new ATOM 0 HD2 LYS A 98 80.191 -6.535 1.011 1.00 0.00 H new ATOM 0 HD3 LYS A 98 80.175 -4.826 1.397 1.00 0.00 H new ATOM 0 HE2 LYS A 98 82.207 -5.234 2.431 1.00 0.00 H new ATOM 0 HE3 LYS A 98 81.255 -5.915 3.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 82.839 -7.553 2.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 81.246 -8.066 2.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 82.168 -7.406 1.306 1.00 0.00 H new ATOM 23 N MET A 99 74.579 -4.948 1.596 1.00 0.00 N ATOM 24 CA MET A 99 73.340 -5.052 0.777 1.00 0.00 C ATOM 25 C MET A 99 73.263 -3.906 -0.230 1.00 0.00 C ATOM 26 O MET A 99 74.085 -3.011 -0.238 1.00 0.00 O ATOM 27 CB MET A 99 72.188 -4.944 1.776 1.00 0.00 C ATOM 28 CG MET A 99 72.390 -3.709 2.653 1.00 0.00 C ATOM 29 SD MET A 99 71.028 -3.585 3.836 1.00 0.00 S ATOM 30 CE MET A 99 69.675 -3.555 2.635 1.00 0.00 C ATOM 0 H MET A 99 74.872 -3.998 1.824 1.00 0.00 H new ATOM 0 HA MET A 99 73.311 -5.982 0.209 1.00 0.00 H new ATOM 0 HB2 MET A 99 71.238 -4.876 1.246 1.00 0.00 H new ATOM 0 HB3 MET A 99 72.144 -5.840 2.395 1.00 0.00 H new ATOM 0 HG2 MET A 99 73.341 -3.776 3.182 1.00 0.00 H new ATOM 0 HG3 MET A 99 72.432 -2.813 2.034 1.00 0.00 H new ATOM 0 HE1 MET A 99 69.051 -2.679 2.812 1.00 0.00 H new ATOM 0 HE2 MET A 99 70.085 -3.510 1.626 1.00 0.00 H new ATOM 0 HE3 MET A 99 69.073 -4.457 2.742 1.00 0.00 H new ATOM 40 N PHE A 100 72.271 -3.927 -1.073 1.00 0.00 N ATOM 41 CA PHE A 100 72.116 -2.841 -2.079 1.00 0.00 C ATOM 42 C PHE A 100 70.800 -2.104 -1.824 1.00 0.00 C ATOM 43 O PHE A 100 69.774 -2.710 -1.584 1.00 0.00 O ATOM 44 CB PHE A 100 72.098 -3.562 -3.427 1.00 0.00 C ATOM 45 CG PHE A 100 72.076 -2.559 -4.557 1.00 0.00 C ATOM 46 CD1 PHE A 100 71.000 -1.672 -4.703 1.00 0.00 C ATOM 47 CD2 PHE A 100 73.140 -2.519 -5.465 1.00 0.00 C ATOM 48 CE1 PHE A 100 70.993 -0.749 -5.754 1.00 0.00 C ATOM 49 CE2 PHE A 100 73.131 -1.597 -6.516 1.00 0.00 C ATOM 50 CZ PHE A 100 72.058 -0.712 -6.661 1.00 0.00 C ATOM 0 H PHE A 100 71.556 -4.654 -1.109 1.00 0.00 H new ATOM 0 HA PHE A 100 72.911 -2.096 -2.038 1.00 0.00 H new ATOM 0 HB2 PHE A 100 72.976 -4.202 -3.517 1.00 0.00 H new ATOM 0 HB3 PHE A 100 71.223 -4.210 -3.489 1.00 0.00 H new ATOM 0 HD1 PHE A 100 70.177 -1.701 -4.004 1.00 0.00 H new ATOM 0 HD2 PHE A 100 73.970 -3.202 -5.354 1.00 0.00 H new ATOM 0 HE1 PHE A 100 70.165 -0.064 -5.866 1.00 0.00 H new ATOM 0 HE2 PHE A 100 73.953 -1.568 -7.216 1.00 0.00 H new ATOM 0 HZ PHE A 100 72.051 0.000 -7.473 1.00 0.00 H new ATOM 60 N ILE A 101 70.821 -0.801 -1.863 1.00 0.00 N ATOM 61 CA ILE A 101 69.571 -0.025 -1.612 1.00 0.00 C ATOM 62 C ILE A 101 69.228 0.814 -2.841 1.00 0.00 C ATOM 63 O ILE A 101 69.912 1.762 -3.168 1.00 0.00 O ATOM 64 CB ILE A 101 69.892 0.875 -0.414 1.00 0.00 C ATOM 65 CG1 ILE A 101 70.759 0.116 0.602 1.00 0.00 C ATOM 66 CG2 ILE A 101 68.590 1.308 0.259 1.00 0.00 C ATOM 67 CD1 ILE A 101 70.136 -1.250 0.905 1.00 0.00 C ATOM 0 H ILE A 101 71.649 -0.238 -2.058 1.00 0.00 H new ATOM 0 HA ILE A 101 68.714 -0.668 -1.413 1.00 0.00 H new ATOM 0 HB ILE A 101 70.438 1.751 -0.765 1.00 0.00 H new ATOM 0 HG12 ILE A 101 71.767 -0.014 0.207 1.00 0.00 H new ATOM 0 HG13 ILE A 101 70.849 0.696 1.521 1.00 0.00 H new ATOM 0 HG21 ILE A 101 68.817 1.948 1.112 1.00 0.00 H new ATOM 0 HG22 ILE A 101 67.977 1.858 -0.455 1.00 0.00 H new ATOM 0 HG23 ILE A 101 68.047 0.427 0.601 1.00 0.00 H new ATOM 0 HD11 ILE A 101 70.757 -1.781 1.626 1.00 0.00 H new ATOM 0 HD12 ILE A 101 69.137 -1.111 1.319 1.00 0.00 H new ATOM 0 HD13 ILE A 101 70.069 -1.832 -0.014 1.00 0.00 H new ATOM 79 N GLY A 102 68.175 0.469 -3.531 1.00 0.00 N ATOM 80 CA GLY A 102 67.803 1.249 -4.743 1.00 0.00 C ATOM 81 C GLY A 102 66.502 2.017 -4.494 1.00 0.00 C ATOM 82 O GLY A 102 65.420 1.476 -4.601 1.00 0.00 O ATOM 0 H GLY A 102 67.560 -0.314 -3.309 1.00 0.00 H new ATOM 0 HA2 GLY A 102 68.603 1.945 -4.997 1.00 0.00 H new ATOM 0 HA3 GLY A 102 67.682 0.578 -5.594 1.00 0.00 H new ATOM 86 N GLY A 103 66.599 3.280 -4.168 1.00 0.00 N ATOM 87 CA GLY A 103 65.363 4.082 -3.919 1.00 0.00 C ATOM 88 C GLY A 103 65.730 5.426 -3.280 1.00 0.00 C ATOM 89 O GLY A 103 64.991 5.965 -2.480 1.00 0.00 O ATOM 0 H GLY A 103 67.477 3.789 -4.064 1.00 0.00 H new ATOM 0 HA2 GLY A 103 64.833 4.249 -4.857 1.00 0.00 H new ATOM 0 HA3 GLY A 103 64.688 3.531 -3.264 1.00 0.00 H new ATOM 93 N LEU A 104 66.858 5.977 -3.634 1.00 0.00 N ATOM 94 CA LEU A 104 67.264 7.290 -3.055 1.00 0.00 C ATOM 95 C LEU A 104 66.749 8.429 -3.940 1.00 0.00 C ATOM 96 O LEU A 104 66.451 8.235 -5.102 1.00 0.00 O ATOM 97 CB LEU A 104 68.794 7.269 -3.052 1.00 0.00 C ATOM 98 CG LEU A 104 69.307 6.390 -1.909 1.00 0.00 C ATOM 99 CD1 LEU A 104 68.670 6.831 -0.590 1.00 0.00 C ATOM 100 CD2 LEU A 104 68.951 4.927 -2.184 1.00 0.00 C ATOM 0 H LEU A 104 67.517 5.575 -4.300 1.00 0.00 H new ATOM 0 HA LEU A 104 66.858 7.446 -2.055 1.00 0.00 H new ATOM 0 HB2 LEU A 104 69.162 6.890 -4.005 1.00 0.00 H new ATOM 0 HB3 LEU A 104 69.179 8.283 -2.942 1.00 0.00 H new ATOM 0 HG LEU A 104 70.390 6.493 -1.838 1.00 0.00 H new ATOM 0 HD11 LEU A 104 69.039 6.202 0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 104 68.930 7.870 -0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 104 67.586 6.735 -0.659 1.00 0.00 H new ATOM 0 HD21 LEU A 104 69.318 4.304 -1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 104 67.869 4.824 -2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 104 69.413 4.610 -3.119 1.00 0.00 H new ATOM 112 N SER A 105 66.647 9.616 -3.407 1.00 0.00 N ATOM 113 CA SER A 105 66.158 10.761 -4.230 1.00 0.00 C ATOM 114 C SER A 105 67.326 11.381 -5.003 1.00 0.00 C ATOM 115 O SER A 105 68.437 10.891 -4.964 1.00 0.00 O ATOM 116 CB SER A 105 65.588 11.760 -3.226 1.00 0.00 C ATOM 117 OG SER A 105 64.882 12.777 -3.927 1.00 0.00 O ATOM 0 H SER A 105 66.880 9.843 -2.440 1.00 0.00 H new ATOM 0 HA SER A 105 65.411 10.457 -4.964 1.00 0.00 H new ATOM 0 HB2 SER A 105 64.921 11.253 -2.529 1.00 0.00 H new ATOM 0 HB3 SER A 105 66.392 12.200 -2.636 1.00 0.00 H new ATOM 0 HG SER A 105 64.513 13.420 -3.286 1.00 0.00 H new ATOM 123 N TRP A 106 67.088 12.457 -5.705 1.00 0.00 N ATOM 124 CA TRP A 106 68.194 13.097 -6.473 1.00 0.00 C ATOM 125 C TRP A 106 69.202 13.736 -5.513 1.00 0.00 C ATOM 126 O TRP A 106 70.387 13.773 -5.776 1.00 0.00 O ATOM 127 CB TRP A 106 67.524 14.169 -7.333 1.00 0.00 C ATOM 128 CG TRP A 106 68.558 14.836 -8.185 1.00 0.00 C ATOM 129 CD1 TRP A 106 69.105 14.306 -9.303 1.00 0.00 C ATOM 130 CD2 TRP A 106 69.183 16.141 -8.005 1.00 0.00 C ATOM 131 NE1 TRP A 106 70.024 15.201 -9.819 1.00 0.00 N ATOM 132 CE2 TRP A 106 70.108 16.346 -9.055 1.00 0.00 C ATOM 133 CE3 TRP A 106 69.039 17.157 -7.041 1.00 0.00 C ATOM 134 CZ2 TRP A 106 70.864 17.516 -9.147 1.00 0.00 C ATOM 135 CZ3 TRP A 106 69.797 18.336 -7.131 1.00 0.00 C ATOM 136 CH2 TRP A 106 70.708 18.515 -8.183 1.00 0.00 C ATOM 0 H TRP A 106 66.181 12.918 -5.779 1.00 0.00 H new ATOM 0 HA TRP A 106 68.741 12.375 -7.080 1.00 0.00 H new ATOM 0 HB2 TRP A 106 66.754 13.720 -7.960 1.00 0.00 H new ATOM 0 HB3 TRP A 106 67.029 14.904 -6.698 1.00 0.00 H new ATOM 0 HD1 TRP A 106 68.863 13.341 -9.724 1.00 0.00 H new ATOM 0 HE1 TRP A 106 70.573 15.035 -10.662 1.00 0.00 H new ATOM 0 HE3 TRP A 106 68.341 17.029 -6.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 71.565 17.648 -9.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 69.678 19.109 -6.386 1.00 0.00 H new ATOM 0 HH2 TRP A 106 71.288 19.424 -8.247 1.00 0.00 H new ATOM 147 N ASP A 107 68.740 14.239 -4.400 1.00 0.00 N ATOM 148 CA ASP A 107 69.672 14.875 -3.425 1.00 0.00 C ATOM 149 C ASP A 107 69.921 13.940 -2.240 1.00 0.00 C ATOM 150 O ASP A 107 69.843 14.340 -1.096 1.00 0.00 O ATOM 151 CB ASP A 107 68.955 16.143 -2.962 1.00 0.00 C ATOM 152 CG ASP A 107 67.652 15.766 -2.255 1.00 0.00 C ATOM 153 OD1 ASP A 107 66.661 15.581 -2.941 1.00 0.00 O ATOM 154 OD2 ASP A 107 67.668 15.668 -1.039 1.00 0.00 O ATOM 0 H ASP A 107 67.758 14.237 -4.124 1.00 0.00 H new ATOM 0 HA ASP A 107 70.644 15.092 -3.867 1.00 0.00 H new ATOM 0 HB2 ASP A 107 69.596 16.710 -2.287 1.00 0.00 H new ATOM 0 HB3 ASP A 107 68.744 16.786 -3.816 1.00 0.00 H new ATOM 159 N THR A 108 70.222 12.697 -2.501 1.00 0.00 N ATOM 160 CA THR A 108 70.473 11.744 -1.383 1.00 0.00 C ATOM 161 C THR A 108 71.949 11.782 -0.972 1.00 0.00 C ATOM 162 O THR A 108 72.812 12.131 -1.751 1.00 0.00 O ATOM 163 CB THR A 108 70.107 10.369 -1.940 1.00 0.00 C ATOM 164 OG1 THR A 108 68.827 10.434 -2.552 1.00 0.00 O ATOM 165 CG2 THR A 108 70.080 9.351 -0.802 1.00 0.00 C ATOM 0 H THR A 108 70.305 12.301 -3.437 1.00 0.00 H new ATOM 0 HA THR A 108 69.891 11.991 -0.495 1.00 0.00 H new ATOM 0 HB THR A 108 70.847 10.065 -2.680 1.00 0.00 H new ATOM 0 HG1 THR A 108 68.920 10.307 -3.519 1.00 0.00 H new ATOM 0 HG21 THR A 108 69.819 8.370 -1.198 1.00 0.00 H new ATOM 0 HG22 THR A 108 71.063 9.303 -0.333 1.00 0.00 H new ATOM 0 HG23 THR A 108 69.339 9.652 -0.062 1.00 0.00 H new ATOM 173 N THR A 109 72.238 11.424 0.248 1.00 0.00 N ATOM 174 CA THR A 109 73.654 11.435 0.718 1.00 0.00 C ATOM 175 C THR A 109 73.898 10.260 1.665 1.00 0.00 C ATOM 176 O THR A 109 72.984 9.750 2.282 1.00 0.00 O ATOM 177 CB THR A 109 73.812 12.760 1.465 1.00 0.00 C ATOM 178 OG1 THR A 109 73.003 12.740 2.636 1.00 0.00 O ATOM 179 CG2 THR A 109 73.381 13.918 0.562 1.00 0.00 C ATOM 0 H THR A 109 71.554 11.123 0.942 1.00 0.00 H new ATOM 0 HA THR A 109 74.365 11.341 -0.103 1.00 0.00 H new ATOM 0 HB THR A 109 74.857 12.896 1.745 1.00 0.00 H new ATOM 0 HG1 THR A 109 72.061 12.839 2.385 1.00 0.00 H new ATOM 0 HG21 THR A 109 73.495 14.860 1.099 1.00 0.00 H new ATOM 0 HG22 THR A 109 74.003 13.932 -0.333 1.00 0.00 H new ATOM 0 HG23 THR A 109 72.337 13.788 0.276 1.00 0.00 H new ATOM 187 N LYS A 110 75.121 9.827 1.794 1.00 0.00 N ATOM 188 CA LYS A 110 75.404 8.689 2.711 1.00 0.00 C ATOM 189 C LYS A 110 75.041 9.088 4.148 1.00 0.00 C ATOM 190 O LYS A 110 74.929 8.257 5.027 1.00 0.00 O ATOM 191 CB LYS A 110 76.912 8.407 2.546 1.00 0.00 C ATOM 192 CG LYS A 110 77.702 8.873 3.778 1.00 0.00 C ATOM 193 CD LYS A 110 79.163 9.112 3.392 1.00 0.00 C ATOM 194 CE LYS A 110 79.899 7.773 3.312 1.00 0.00 C ATOM 195 NZ LYS A 110 80.719 7.862 2.072 1.00 0.00 N ATOM 0 H LYS A 110 75.932 10.209 1.307 1.00 0.00 H new ATOM 0 HA LYS A 110 74.820 7.797 2.485 1.00 0.00 H new ATOM 0 HB2 LYS A 110 77.070 7.340 2.392 1.00 0.00 H new ATOM 0 HB3 LYS A 110 77.285 8.916 1.657 1.00 0.00 H new ATOM 0 HG2 LYS A 110 77.266 9.789 4.176 1.00 0.00 H new ATOM 0 HG3 LYS A 110 77.642 8.122 4.566 1.00 0.00 H new ATOM 0 HD2 LYS A 110 79.217 9.626 2.432 1.00 0.00 H new ATOM 0 HD3 LYS A 110 79.643 9.759 4.127 1.00 0.00 H new ATOM 0 HE2 LYS A 110 80.525 7.613 4.190 1.00 0.00 H new ATOM 0 HE3 LYS A 110 79.199 6.939 3.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 81.255 6.980 1.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 80.095 8.008 1.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 81.380 8.661 2.150 1.00 0.00 H new ATOM 209 N LYS A 111 74.853 10.360 4.386 1.00 0.00 N ATOM 210 CA LYS A 111 74.494 10.820 5.757 1.00 0.00 C ATOM 211 C LYS A 111 73.037 10.467 6.063 1.00 0.00 C ATOM 212 O LYS A 111 72.743 9.800 7.036 1.00 0.00 O ATOM 213 CB LYS A 111 74.686 12.337 5.728 1.00 0.00 C ATOM 214 CG LYS A 111 76.170 12.668 5.897 1.00 0.00 C ATOM 215 CD LYS A 111 76.365 13.510 7.159 1.00 0.00 C ATOM 216 CE LYS A 111 77.856 13.774 7.373 1.00 0.00 C ATOM 217 NZ LYS A 111 77.925 14.623 8.595 1.00 0.00 N ATOM 0 H LYS A 111 74.933 11.100 3.688 1.00 0.00 H new ATOM 0 HA LYS A 111 75.104 10.348 6.527 1.00 0.00 H new ATOM 0 HB2 LYS A 111 74.317 12.743 4.786 1.00 0.00 H new ATOM 0 HB3 LYS A 111 74.106 12.803 6.525 1.00 0.00 H new ATOM 0 HG2 LYS A 111 76.753 11.749 5.966 1.00 0.00 H new ATOM 0 HG3 LYS A 111 76.534 13.211 5.025 1.00 0.00 H new ATOM 0 HD2 LYS A 111 75.828 14.454 7.065 1.00 0.00 H new ATOM 0 HD3 LYS A 111 75.949 12.991 8.023 1.00 0.00 H new ATOM 0 HE2 LYS A 111 78.406 12.843 7.508 1.00 0.00 H new ATOM 0 HE3 LYS A 111 78.294 14.282 6.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 78.918 14.847 8.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 77.398 15.505 8.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 77.507 14.111 9.398 1.00 0.00 H new ATOM 231 N ASP A 112 72.120 10.906 5.243 1.00 0.00 N ATOM 232 CA ASP A 112 70.685 10.585 5.496 1.00 0.00 C ATOM 233 C ASP A 112 70.437 9.091 5.272 1.00 0.00 C ATOM 234 O ASP A 112 69.478 8.530 5.767 1.00 0.00 O ATOM 235 CB ASP A 112 69.896 11.423 4.488 1.00 0.00 C ATOM 236 CG ASP A 112 70.407 11.148 3.072 1.00 0.00 C ATOM 237 OD1 ASP A 112 70.718 10.005 2.786 1.00 0.00 O ATOM 238 OD2 ASP A 112 70.474 12.087 2.297 1.00 0.00 O ATOM 0 H ASP A 112 72.301 11.470 4.413 1.00 0.00 H new ATOM 0 HA ASP A 112 70.387 10.809 6.520 1.00 0.00 H new ATOM 0 HB2 ASP A 112 68.835 11.184 4.554 1.00 0.00 H new ATOM 0 HB3 ASP A 112 69.999 12.483 4.722 1.00 0.00 H new ATOM 243 N LEU A 113 71.297 8.441 4.537 1.00 0.00 N ATOM 244 CA LEU A 113 71.116 6.982 4.291 1.00 0.00 C ATOM 245 C LEU A 113 71.764 6.186 5.423 1.00 0.00 C ATOM 246 O LEU A 113 71.132 5.371 6.066 1.00 0.00 O ATOM 247 CB LEU A 113 71.827 6.707 2.966 1.00 0.00 C ATOM 248 CG LEU A 113 71.435 5.322 2.454 1.00 0.00 C ATOM 249 CD1 LEU A 113 70.008 5.370 1.907 1.00 0.00 C ATOM 250 CD2 LEU A 113 72.395 4.901 1.339 1.00 0.00 C ATOM 0 H LEU A 113 72.117 8.857 4.096 1.00 0.00 H new ATOM 0 HA LEU A 113 70.066 6.693 4.250 1.00 0.00 H new ATOM 0 HB2 LEU A 113 71.558 7.467 2.232 1.00 0.00 H new ATOM 0 HB3 LEU A 113 72.907 6.764 3.102 1.00 0.00 H new ATOM 0 HG LEU A 113 71.489 4.602 3.270 1.00 0.00 H new ATOM 0 HD11 LEU A 113 69.725 4.383 1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 113 69.324 5.672 2.700 1.00 0.00 H new ATOM 0 HD13 LEU A 113 69.956 6.089 1.089 1.00 0.00 H new ATOM 0 HD21 LEU A 113 72.116 3.913 0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 113 72.340 5.620 0.521 1.00 0.00 H new ATOM 0 HD23 LEU A 113 73.413 4.870 1.728 1.00 0.00 H new ATOM 262 N LYS A 114 73.021 6.426 5.676 1.00 0.00 N ATOM 263 CA LYS A 114 73.710 5.694 6.773 1.00 0.00 C ATOM 264 C LYS A 114 72.924 5.855 8.074 1.00 0.00 C ATOM 265 O LYS A 114 72.847 4.951 8.881 1.00 0.00 O ATOM 266 CB LYS A 114 75.083 6.355 6.887 1.00 0.00 C ATOM 267 CG LYS A 114 75.828 5.784 8.096 1.00 0.00 C ATOM 268 CD LYS A 114 76.595 6.905 8.799 1.00 0.00 C ATOM 269 CE LYS A 114 77.453 6.311 9.917 1.00 0.00 C ATOM 270 NZ LYS A 114 76.591 6.357 11.130 1.00 0.00 N ATOM 0 H LYS A 114 73.599 7.097 5.170 1.00 0.00 H new ATOM 0 HA LYS A 114 73.792 4.625 6.577 1.00 0.00 H new ATOM 0 HB2 LYS A 114 75.658 6.182 5.977 1.00 0.00 H new ATOM 0 HB3 LYS A 114 74.971 7.434 6.992 1.00 0.00 H new ATOM 0 HG2 LYS A 114 75.122 5.323 8.787 1.00 0.00 H new ATOM 0 HG3 LYS A 114 76.517 5.003 7.776 1.00 0.00 H new ATOM 0 HD2 LYS A 114 77.225 7.433 8.084 1.00 0.00 H new ATOM 0 HD3 LYS A 114 75.898 7.635 9.210 1.00 0.00 H new ATOM 0 HE2 LYS A 114 77.752 5.289 9.684 1.00 0.00 H new ATOM 0 HE3 LYS A 114 78.368 6.886 10.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 77.111 5.965 11.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 76.327 7.343 11.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 75.731 5.795 10.966 1.00 0.00 H new ATOM 284 N ASP A 115 72.332 7.001 8.283 1.00 0.00 N ATOM 285 CA ASP A 115 71.547 7.211 9.532 1.00 0.00 C ATOM 286 C ASP A 115 70.210 6.492 9.427 1.00 0.00 C ATOM 287 O ASP A 115 69.863 5.702 10.282 1.00 0.00 O ATOM 288 CB ASP A 115 71.350 8.724 9.643 1.00 0.00 C ATOM 289 CG ASP A 115 72.464 9.327 10.502 1.00 0.00 C ATOM 290 OD1 ASP A 115 73.132 8.570 11.189 1.00 0.00 O ATOM 291 OD2 ASP A 115 72.629 10.535 10.460 1.00 0.00 O ATOM 0 H ASP A 115 72.358 7.797 7.645 1.00 0.00 H new ATOM 0 HA ASP A 115 72.054 6.815 10.412 1.00 0.00 H new ATOM 0 HB2 ASP A 115 71.358 9.175 8.651 1.00 0.00 H new ATOM 0 HB3 ASP A 115 70.378 8.943 10.085 1.00 0.00 H new ATOM 296 N TYR A 116 69.465 6.725 8.385 1.00 0.00 N ATOM 297 CA TYR A 116 68.176 6.002 8.254 1.00 0.00 C ATOM 298 C TYR A 116 68.433 4.525 8.526 1.00 0.00 C ATOM 299 O TYR A 116 67.602 3.818 9.062 1.00 0.00 O ATOM 300 CB TYR A 116 67.739 6.191 6.807 1.00 0.00 C ATOM 301 CG TYR A 116 66.565 5.283 6.536 1.00 0.00 C ATOM 302 CD1 TYR A 116 65.279 5.692 6.894 1.00 0.00 C ATOM 303 CD2 TYR A 116 66.761 4.035 5.930 1.00 0.00 C ATOM 304 CE1 TYR A 116 64.184 4.856 6.648 1.00 0.00 C ATOM 305 CE2 TYR A 116 65.667 3.199 5.682 1.00 0.00 C ATOM 306 CZ TYR A 116 64.377 3.609 6.040 1.00 0.00 C ATOM 307 OH TYR A 116 63.298 2.785 5.795 1.00 0.00 O ATOM 0 H TYR A 116 69.689 7.374 7.631 1.00 0.00 H new ATOM 0 HA TYR A 116 67.416 6.365 8.946 1.00 0.00 H new ATOM 0 HB2 TYR A 116 67.463 7.230 6.628 1.00 0.00 H new ATOM 0 HB3 TYR A 116 68.561 5.959 6.130 1.00 0.00 H new ATOM 0 HD1 TYR A 116 65.129 6.654 7.361 1.00 0.00 H new ATOM 0 HD2 TYR A 116 67.756 3.719 5.654 1.00 0.00 H new ATOM 0 HE1 TYR A 116 63.190 5.172 6.927 1.00 0.00 H new ATOM 0 HE2 TYR A 116 65.818 2.237 5.214 1.00 0.00 H new ATOM 0 HH TYR A 116 63.534 1.861 6.020 1.00 0.00 H new ATOM 317 N PHE A 117 69.593 4.058 8.144 1.00 0.00 N ATOM 318 CA PHE A 117 69.925 2.630 8.363 1.00 0.00 C ATOM 319 C PHE A 117 70.644 2.422 9.700 1.00 0.00 C ATOM 320 O PHE A 117 70.827 1.307 10.149 1.00 0.00 O ATOM 321 CB PHE A 117 70.803 2.239 7.174 1.00 0.00 C ATOM 322 CG PHE A 117 69.902 1.921 6.006 1.00 0.00 C ATOM 323 CD1 PHE A 117 68.888 0.967 6.155 1.00 0.00 C ATOM 324 CD2 PHE A 117 70.065 2.585 4.782 1.00 0.00 C ATOM 325 CE1 PHE A 117 68.039 0.672 5.085 1.00 0.00 C ATOM 326 CE2 PHE A 117 69.214 2.286 3.708 1.00 0.00 C ATOM 327 CZ PHE A 117 68.201 1.331 3.861 1.00 0.00 C ATOM 0 H PHE A 117 70.322 4.609 7.690 1.00 0.00 H new ATOM 0 HA PHE A 117 69.032 2.007 8.421 1.00 0.00 H new ATOM 0 HB2 PHE A 117 71.482 3.053 6.919 1.00 0.00 H new ATOM 0 HB3 PHE A 117 71.419 1.376 7.424 1.00 0.00 H new ATOM 0 HD1 PHE A 117 68.762 0.458 7.099 1.00 0.00 H new ATOM 0 HD2 PHE A 117 70.844 3.325 4.666 1.00 0.00 H new ATOM 0 HE1 PHE A 117 67.258 -0.064 5.203 1.00 0.00 H new ATOM 0 HE2 PHE A 117 69.340 2.792 2.762 1.00 0.00 H new ATOM 0 HZ PHE A 117 67.545 1.103 3.034 1.00 0.00 H new ATOM 337 N SER A 118 71.035 3.479 10.349 1.00 0.00 N ATOM 338 CA SER A 118 71.716 3.331 11.666 1.00 0.00 C ATOM 339 C SER A 118 70.691 2.904 12.724 1.00 0.00 C ATOM 340 O SER A 118 71.026 2.656 13.865 1.00 0.00 O ATOM 341 CB SER A 118 72.271 4.719 11.984 1.00 0.00 C ATOM 342 OG SER A 118 73.243 4.610 13.017 1.00 0.00 O ATOM 0 H SER A 118 70.914 4.439 10.027 1.00 0.00 H new ATOM 0 HA SER A 118 72.504 2.578 11.652 1.00 0.00 H new ATOM 0 HB2 SER A 118 72.719 5.158 11.092 1.00 0.00 H new ATOM 0 HB3 SER A 118 71.465 5.383 12.296 1.00 0.00 H new ATOM 0 HG SER A 118 72.910 4.012 13.718 1.00 0.00 H new ATOM 348 N LYS A 119 69.441 2.825 12.345 1.00 0.00 N ATOM 349 CA LYS A 119 68.383 2.422 13.314 1.00 0.00 C ATOM 350 C LYS A 119 68.200 0.901 13.304 1.00 0.00 C ATOM 351 O LYS A 119 67.546 0.341 14.161 1.00 0.00 O ATOM 352 CB LYS A 119 67.119 3.121 12.810 1.00 0.00 C ATOM 353 CG LYS A 119 65.903 2.623 13.593 1.00 0.00 C ATOM 354 CD LYS A 119 64.755 3.622 13.434 1.00 0.00 C ATOM 355 CE LYS A 119 63.940 3.677 14.727 1.00 0.00 C ATOM 356 NZ LYS A 119 62.651 4.318 14.342 1.00 0.00 N ATOM 0 H LYS A 119 69.108 3.024 11.401 1.00 0.00 H new ATOM 0 HA LYS A 119 68.628 2.698 14.340 1.00 0.00 H new ATOM 0 HB2 LYS A 119 67.219 4.200 12.924 1.00 0.00 H new ATOM 0 HB3 LYS A 119 66.983 2.924 11.746 1.00 0.00 H new ATOM 0 HG2 LYS A 119 65.599 1.641 13.229 1.00 0.00 H new ATOM 0 HG3 LYS A 119 66.157 2.508 14.647 1.00 0.00 H new ATOM 0 HD2 LYS A 119 65.150 4.610 13.199 1.00 0.00 H new ATOM 0 HD3 LYS A 119 64.116 3.327 12.602 1.00 0.00 H new ATOM 0 HE2 LYS A 119 63.778 2.679 15.135 1.00 0.00 H new ATOM 0 HE3 LYS A 119 64.455 4.255 15.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 62.036 4.391 15.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 62.836 5.269 13.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 62.180 3.742 13.615 1.00 0.00 H new ATOM 370 N PHE A 120 68.779 0.225 12.346 1.00 0.00 N ATOM 371 CA PHE A 120 68.640 -1.259 12.295 1.00 0.00 C ATOM 372 C PHE A 120 69.753 -1.908 13.118 1.00 0.00 C ATOM 373 O PHE A 120 69.508 -2.725 13.983 1.00 0.00 O ATOM 374 CB PHE A 120 68.798 -1.637 10.819 1.00 0.00 C ATOM 375 CG PHE A 120 67.724 -0.977 9.986 1.00 0.00 C ATOM 376 CD1 PHE A 120 66.508 -1.634 9.759 1.00 0.00 C ATOM 377 CD2 PHE A 120 67.952 0.283 9.424 1.00 0.00 C ATOM 378 CE1 PHE A 120 65.523 -1.028 8.968 1.00 0.00 C ATOM 379 CE2 PHE A 120 66.968 0.890 8.637 1.00 0.00 C ATOM 380 CZ PHE A 120 65.754 0.234 8.408 1.00 0.00 C ATOM 0 H PHE A 120 69.340 0.635 11.600 1.00 0.00 H new ATOM 0 HA PHE A 120 67.685 -1.594 12.699 1.00 0.00 H new ATOM 0 HB2 PHE A 120 69.782 -1.332 10.463 1.00 0.00 H new ATOM 0 HB3 PHE A 120 68.740 -2.720 10.706 1.00 0.00 H new ATOM 0 HD1 PHE A 120 66.330 -2.607 10.193 1.00 0.00 H new ATOM 0 HD2 PHE A 120 68.890 0.789 9.598 1.00 0.00 H new ATOM 0 HE1 PHE A 120 64.586 -1.534 8.790 1.00 0.00 H new ATOM 0 HE2 PHE A 120 67.145 1.864 8.206 1.00 0.00 H new ATOM 0 HZ PHE A 120 64.994 0.701 7.799 1.00 0.00 H new ATOM 390 N GLY A 121 70.974 -1.545 12.852 1.00 0.00 N ATOM 391 CA GLY A 121 72.115 -2.131 13.612 1.00 0.00 C ATOM 392 C GLY A 121 73.369 -1.284 13.384 1.00 0.00 C ATOM 393 O GLY A 121 73.294 -0.149 12.959 1.00 0.00 O ATOM 0 H GLY A 121 71.234 -0.865 12.138 1.00 0.00 H new ATOM 0 HA2 GLY A 121 71.877 -2.168 14.675 1.00 0.00 H new ATOM 0 HA3 GLY A 121 72.292 -3.157 13.289 1.00 0.00 H new ATOM 397 N GLU A 122 74.523 -1.828 13.661 1.00 0.00 N ATOM 398 CA GLU A 122 75.782 -1.051 13.459 1.00 0.00 C ATOM 399 C GLU A 122 76.269 -1.188 12.014 1.00 0.00 C ATOM 400 O GLU A 122 76.634 -2.259 11.575 1.00 0.00 O ATOM 401 CB GLU A 122 76.793 -1.678 14.418 1.00 0.00 C ATOM 402 CG GLU A 122 77.718 -0.591 14.969 1.00 0.00 C ATOM 403 CD GLU A 122 78.272 -1.030 16.326 1.00 0.00 C ATOM 404 OE1 GLU A 122 77.493 -1.125 17.260 1.00 0.00 O ATOM 405 OE2 GLU A 122 79.467 -1.263 16.408 1.00 0.00 O ATOM 0 H GLU A 122 74.650 -2.775 14.018 1.00 0.00 H new ATOM 0 HA GLU A 122 75.640 0.013 13.648 1.00 0.00 H new ATOM 0 HB2 GLU A 122 76.273 -2.177 15.236 1.00 0.00 H new ATOM 0 HB3 GLU A 122 77.377 -2.439 13.901 1.00 0.00 H new ATOM 0 HG2 GLU A 122 78.536 -0.408 14.273 1.00 0.00 H new ATOM 0 HG3 GLU A 122 77.172 0.347 15.073 1.00 0.00 H new ATOM 412 N VAL A 123 76.285 -0.113 11.277 1.00 0.00 N ATOM 413 CA VAL A 123 76.758 -0.186 9.863 1.00 0.00 C ATOM 414 C VAL A 123 78.239 0.162 9.766 1.00 0.00 C ATOM 415 O VAL A 123 78.694 1.166 10.277 1.00 0.00 O ATOM 416 CB VAL A 123 75.903 0.832 9.093 1.00 0.00 C ATOM 417 CG1 VAL A 123 76.709 1.465 7.952 1.00 0.00 C ATOM 418 CG2 VAL A 123 74.718 0.102 8.479 1.00 0.00 C ATOM 0 H VAL A 123 75.992 0.812 11.590 1.00 0.00 H new ATOM 0 HA VAL A 123 76.653 -1.191 9.454 1.00 0.00 H new ATOM 0 HB VAL A 123 75.579 1.611 9.783 1.00 0.00 H new ATOM 0 HG11 VAL A 123 76.085 2.183 7.420 1.00 0.00 H new ATOM 0 HG12 VAL A 123 77.580 1.976 8.362 1.00 0.00 H new ATOM 0 HG13 VAL A 123 77.036 0.687 7.262 1.00 0.00 H new ATOM 0 HG21 VAL A 123 74.100 0.811 7.928 1.00 0.00 H new ATOM 0 HG22 VAL A 123 75.079 -0.670 7.799 1.00 0.00 H new ATOM 0 HG23 VAL A 123 74.125 -0.359 9.269 1.00 0.00 H new ATOM 428 N VAL A 124 78.978 -0.645 9.070 1.00 0.00 N ATOM 429 CA VAL A 124 80.416 -0.353 8.883 1.00 0.00 C ATOM 430 C VAL A 124 80.559 0.504 7.633 1.00 0.00 C ATOM 431 O VAL A 124 81.524 1.224 7.466 1.00 0.00 O ATOM 432 CB VAL A 124 81.087 -1.719 8.684 1.00 0.00 C ATOM 433 CG1 VAL A 124 82.318 -1.577 7.775 1.00 0.00 C ATOM 434 CG2 VAL A 124 81.527 -2.268 10.043 1.00 0.00 C ATOM 0 H VAL A 124 78.646 -1.498 8.621 1.00 0.00 H new ATOM 0 HA VAL A 124 80.864 0.180 9.721 1.00 0.00 H new ATOM 0 HB VAL A 124 80.375 -2.401 8.218 1.00 0.00 H new ATOM 0 HG11 VAL A 124 82.786 -2.552 7.641 1.00 0.00 H new ATOM 0 HG12 VAL A 124 82.011 -1.186 6.805 1.00 0.00 H new ATOM 0 HG13 VAL A 124 83.032 -0.892 8.233 1.00 0.00 H new ATOM 0 HG21 VAL A 124 82.004 -3.238 9.906 1.00 0.00 H new ATOM 0 HG22 VAL A 124 82.234 -1.578 10.503 1.00 0.00 H new ATOM 0 HG23 VAL A 124 80.657 -2.380 10.689 1.00 0.00 H new ATOM 444 N ASP A 125 79.611 0.419 6.739 1.00 0.00 N ATOM 445 CA ASP A 125 79.727 1.220 5.499 1.00 0.00 C ATOM 446 C ASP A 125 78.360 1.662 4.959 1.00 0.00 C ATOM 447 O ASP A 125 77.326 1.131 5.312 1.00 0.00 O ATOM 448 CB ASP A 125 80.422 0.299 4.498 1.00 0.00 C ATOM 449 CG ASP A 125 81.920 0.613 4.473 1.00 0.00 C ATOM 450 OD1 ASP A 125 82.285 1.696 4.900 1.00 0.00 O ATOM 451 OD2 ASP A 125 82.675 -0.236 4.026 1.00 0.00 O ATOM 0 H ASP A 125 78.776 -0.162 6.816 1.00 0.00 H new ATOM 0 HA ASP A 125 80.280 2.141 5.682 1.00 0.00 H new ATOM 0 HB2 ASP A 125 80.262 -0.743 4.774 1.00 0.00 H new ATOM 0 HB3 ASP A 125 79.994 0.434 3.505 1.00 0.00 H new ATOM 456 N CYS A 126 78.376 2.637 4.090 1.00 0.00 N ATOM 457 CA CYS A 126 77.120 3.161 3.471 1.00 0.00 C ATOM 458 C CYS A 126 77.504 4.106 2.340 1.00 0.00 C ATOM 459 O CYS A 126 78.468 4.839 2.438 1.00 0.00 O ATOM 460 CB CYS A 126 76.390 3.908 4.587 1.00 0.00 C ATOM 461 SG CYS A 126 74.779 4.470 3.981 1.00 0.00 S ATOM 0 H CYS A 126 79.226 3.104 3.775 1.00 0.00 H new ATOM 0 HA CYS A 126 76.485 2.378 3.056 1.00 0.00 H new ATOM 0 HB2 CYS A 126 76.259 3.256 5.451 1.00 0.00 H new ATOM 0 HB3 CYS A 126 76.984 4.760 4.918 1.00 0.00 H new ATOM 0 HG CYS A 126 74.788 5.765 3.862 1.00 0.00 H new ATOM 467 N THR A 127 76.798 4.074 1.249 1.00 0.00 N ATOM 468 CA THR A 127 77.191 4.953 0.121 1.00 0.00 C ATOM 469 C THR A 127 75.985 5.361 -0.738 1.00 0.00 C ATOM 470 O THR A 127 74.909 4.804 -0.644 1.00 0.00 O ATOM 471 CB THR A 127 78.169 4.071 -0.667 1.00 0.00 C ATOM 472 OG1 THR A 127 79.498 4.374 -0.267 1.00 0.00 O ATOM 473 CG2 THR A 127 78.024 4.308 -2.167 1.00 0.00 C ATOM 0 H THR A 127 75.979 3.487 1.091 1.00 0.00 H new ATOM 0 HA THR A 127 77.624 5.898 0.448 1.00 0.00 H new ATOM 0 HB THR A 127 77.944 3.025 -0.458 1.00 0.00 H new ATOM 0 HG1 THR A 127 79.509 4.599 0.687 1.00 0.00 H new ATOM 0 HG21 THR A 127 78.727 3.672 -2.705 1.00 0.00 H new ATOM 0 HG22 THR A 127 77.007 4.068 -2.477 1.00 0.00 H new ATOM 0 HG23 THR A 127 78.234 5.354 -2.392 1.00 0.00 H new ATOM 481 N LEU A 128 76.195 6.319 -1.603 1.00 0.00 N ATOM 482 CA LEU A 128 75.118 6.780 -2.523 1.00 0.00 C ATOM 483 C LEU A 128 75.639 6.644 -3.960 1.00 0.00 C ATOM 484 O LEU A 128 76.688 7.157 -4.297 1.00 0.00 O ATOM 485 CB LEU A 128 74.852 8.248 -2.128 1.00 0.00 C ATOM 486 CG LEU A 128 74.920 9.177 -3.350 1.00 0.00 C ATOM 487 CD1 LEU A 128 73.835 8.790 -4.360 1.00 0.00 C ATOM 488 CD2 LEU A 128 74.698 10.623 -2.901 1.00 0.00 C ATOM 0 H LEU A 128 77.083 6.808 -1.711 1.00 0.00 H new ATOM 0 HA LEU A 128 74.194 6.206 -2.458 1.00 0.00 H new ATOM 0 HB2 LEU A 128 73.870 8.329 -1.661 1.00 0.00 H new ATOM 0 HB3 LEU A 128 75.585 8.566 -1.386 1.00 0.00 H new ATOM 0 HG LEU A 128 75.899 9.081 -3.819 1.00 0.00 H new ATOM 0 HD11 LEU A 128 73.889 9.453 -5.224 1.00 0.00 H new ATOM 0 HD12 LEU A 128 73.989 7.760 -4.682 1.00 0.00 H new ATOM 0 HD13 LEU A 128 72.854 8.881 -3.893 1.00 0.00 H new ATOM 0 HD21 LEU A 128 74.746 11.284 -3.766 1.00 0.00 H new ATOM 0 HD22 LEU A 128 73.719 10.712 -2.430 1.00 0.00 H new ATOM 0 HD23 LEU A 128 75.471 10.905 -2.186 1.00 0.00 H new ATOM 500 N LYS A 129 74.935 5.944 -4.801 1.00 0.00 N ATOM 501 CA LYS A 129 75.418 5.768 -6.198 1.00 0.00 C ATOM 502 C LYS A 129 74.708 6.732 -7.148 1.00 0.00 C ATOM 503 O LYS A 129 73.487 6.852 -7.151 1.00 0.00 O ATOM 504 CB LYS A 129 75.099 4.318 -6.560 1.00 0.00 C ATOM 505 CG LYS A 129 76.230 3.745 -7.416 1.00 0.00 C ATOM 506 CD LYS A 129 77.540 3.794 -6.627 1.00 0.00 C ATOM 507 CE LYS A 129 78.545 2.814 -7.236 1.00 0.00 C ATOM 508 NZ LYS A 129 78.670 1.720 -6.234 1.00 0.00 N ATOM 0 H LYS A 129 74.049 5.487 -4.584 1.00 0.00 H new ATOM 0 HA LYS A 129 76.483 5.981 -6.283 1.00 0.00 H new ATOM 0 HB2 LYS A 129 74.978 3.724 -5.654 1.00 0.00 H new ATOM 0 HB3 LYS A 129 74.156 4.267 -7.103 1.00 0.00 H new ATOM 0 HG2 LYS A 129 76.002 2.718 -7.699 1.00 0.00 H new ATOM 0 HG3 LYS A 129 76.327 4.316 -8.339 1.00 0.00 H new ATOM 0 HD2 LYS A 129 77.948 4.805 -6.643 1.00 0.00 H new ATOM 0 HD3 LYS A 129 77.357 3.540 -5.583 1.00 0.00 H new ATOM 0 HE2 LYS A 129 78.194 2.433 -8.195 1.00 0.00 H new ATOM 0 HE3 LYS A 129 79.506 3.295 -7.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 79.344 1.007 -6.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 79.013 2.112 -5.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 77.741 1.276 -6.087 1.00 0.00 H new ATOM 522 N LEU A 130 75.482 7.411 -7.956 1.00 0.00 N ATOM 523 CA LEU A 130 74.917 8.376 -8.937 1.00 0.00 C ATOM 524 C LEU A 130 75.609 8.187 -10.290 1.00 0.00 C ATOM 525 O LEU A 130 76.477 7.350 -10.435 1.00 0.00 O ATOM 526 CB LEU A 130 75.232 9.757 -8.361 1.00 0.00 C ATOM 527 CG LEU A 130 76.743 9.906 -8.184 1.00 0.00 C ATOM 528 CD1 LEU A 130 77.172 11.306 -8.626 1.00 0.00 C ATOM 529 CD2 LEU A 130 77.106 9.703 -6.712 1.00 0.00 C ATOM 0 H LEU A 130 76.499 7.333 -7.975 1.00 0.00 H new ATOM 0 HA LEU A 130 73.847 8.241 -9.094 1.00 0.00 H new ATOM 0 HB2 LEU A 130 74.855 10.534 -9.026 1.00 0.00 H new ATOM 0 HB3 LEU A 130 74.729 9.886 -7.403 1.00 0.00 H new ATOM 0 HG LEU A 130 77.256 9.160 -8.791 1.00 0.00 H new ATOM 0 HD11 LEU A 130 78.249 11.413 -8.500 1.00 0.00 H new ATOM 0 HD12 LEU A 130 76.913 11.452 -9.675 1.00 0.00 H new ATOM 0 HD13 LEU A 130 76.660 12.052 -8.019 1.00 0.00 H new ATOM 0 HD21 LEU A 130 78.183 9.809 -6.585 1.00 0.00 H new ATOM 0 HD22 LEU A 130 76.594 10.449 -6.105 1.00 0.00 H new ATOM 0 HD23 LEU A 130 76.800 8.706 -6.396 1.00 0.00 H new ATOM 541 N ASP A 131 75.241 8.955 -11.279 1.00 0.00 N ATOM 542 CA ASP A 131 75.894 8.807 -12.614 1.00 0.00 C ATOM 543 C ASP A 131 77.157 9.674 -12.679 1.00 0.00 C ATOM 544 O ASP A 131 77.076 10.886 -12.680 1.00 0.00 O ATOM 545 CB ASP A 131 74.853 9.292 -13.624 1.00 0.00 C ATOM 546 CG ASP A 131 73.541 8.535 -13.410 1.00 0.00 C ATOM 547 OD1 ASP A 131 73.604 7.381 -13.020 1.00 0.00 O ATOM 548 OD2 ASP A 131 72.497 9.122 -13.641 1.00 0.00 O ATOM 0 H ASP A 131 74.521 9.675 -11.223 1.00 0.00 H new ATOM 0 HA ASP A 131 76.202 7.781 -12.814 1.00 0.00 H new ATOM 0 HB2 ASP A 131 74.690 10.363 -13.508 1.00 0.00 H new ATOM 0 HB3 ASP A 131 75.215 9.133 -14.640 1.00 0.00 H new ATOM 553 N PRO A 132 78.286 9.017 -12.719 1.00 0.00 N ATOM 554 CA PRO A 132 79.582 9.732 -12.772 1.00 0.00 C ATOM 555 C PRO A 132 79.890 10.201 -14.199 1.00 0.00 C ATOM 556 O PRO A 132 80.920 10.789 -14.457 1.00 0.00 O ATOM 557 CB PRO A 132 80.588 8.676 -12.327 1.00 0.00 C ATOM 558 CG PRO A 132 79.954 7.357 -12.650 1.00 0.00 C ATOM 559 CD PRO A 132 78.460 7.561 -12.719 1.00 0.00 C ATOM 0 HA PRO A 132 79.597 10.628 -12.151 1.00 0.00 H new ATOM 0 HB2 PRO A 132 81.537 8.794 -12.850 1.00 0.00 H new ATOM 0 HB3 PRO A 132 80.799 8.759 -11.261 1.00 0.00 H new ATOM 0 HG2 PRO A 132 80.331 6.976 -13.599 1.00 0.00 H new ATOM 0 HG3 PRO A 132 80.203 6.618 -11.888 1.00 0.00 H new ATOM 0 HD2 PRO A 132 78.039 7.111 -13.618 1.00 0.00 H new ATOM 0 HD3 PRO A 132 77.957 7.102 -11.868 1.00 0.00 H new ATOM 567 N ILE A 133 79.009 9.945 -15.128 1.00 0.00 N ATOM 568 CA ILE A 133 79.268 10.378 -16.531 1.00 0.00 C ATOM 569 C ILE A 133 78.423 11.608 -16.877 1.00 0.00 C ATOM 570 O ILE A 133 78.894 12.542 -17.497 1.00 0.00 O ATOM 571 CB ILE A 133 78.873 9.179 -17.400 1.00 0.00 C ATOM 572 CG1 ILE A 133 79.581 9.279 -18.750 1.00 0.00 C ATOM 573 CG2 ILE A 133 77.356 9.163 -17.621 1.00 0.00 C ATOM 574 CD1 ILE A 133 79.150 10.567 -19.443 1.00 0.00 C ATOM 0 H ILE A 133 78.126 9.457 -14.978 1.00 0.00 H new ATOM 0 HA ILE A 133 80.308 10.664 -16.688 1.00 0.00 H new ATOM 0 HB ILE A 133 79.168 8.260 -16.894 1.00 0.00 H new ATOM 0 HG12 ILE A 133 80.662 9.271 -18.610 1.00 0.00 H new ATOM 0 HG13 ILE A 133 79.333 8.417 -19.370 1.00 0.00 H new ATOM 0 HG21 ILE A 133 77.087 8.307 -18.240 1.00 0.00 H new ATOM 0 HG22 ILE A 133 76.849 9.089 -16.659 1.00 0.00 H new ATOM 0 HG23 ILE A 133 77.052 10.082 -18.122 1.00 0.00 H new ATOM 0 HD11 ILE A 133 79.651 10.646 -20.408 1.00 0.00 H new ATOM 0 HD12 ILE A 133 78.071 10.555 -19.594 1.00 0.00 H new ATOM 0 HD13 ILE A 133 79.420 11.422 -18.823 1.00 0.00 H new ATOM 586 N THR A 134 77.178 11.616 -16.488 1.00 0.00 N ATOM 587 CA THR A 134 76.309 12.785 -16.803 1.00 0.00 C ATOM 588 C THR A 134 76.275 13.755 -15.620 1.00 0.00 C ATOM 589 O THR A 134 75.523 14.709 -15.610 1.00 0.00 O ATOM 590 CB THR A 134 74.920 12.195 -17.052 1.00 0.00 C ATOM 591 OG1 THR A 134 74.808 10.951 -16.376 1.00 0.00 O ATOM 592 CG2 THR A 134 74.714 11.987 -18.552 1.00 0.00 C ATOM 0 H THR A 134 76.725 10.865 -15.967 1.00 0.00 H new ATOM 0 HA THR A 134 76.673 13.347 -17.664 1.00 0.00 H new ATOM 0 HB THR A 134 74.160 12.880 -16.677 1.00 0.00 H new ATOM 0 HG1 THR A 134 73.918 10.572 -16.533 1.00 0.00 H new ATOM 0 HG21 THR A 134 73.724 11.567 -18.728 1.00 0.00 H new ATOM 0 HG22 THR A 134 74.799 12.944 -19.067 1.00 0.00 H new ATOM 0 HG23 THR A 134 75.472 11.302 -18.932 1.00 0.00 H new ATOM 600 N GLY A 135 77.082 13.519 -14.624 1.00 0.00 N ATOM 601 CA GLY A 135 77.091 14.426 -13.443 1.00 0.00 C ATOM 602 C GLY A 135 75.687 14.490 -12.840 1.00 0.00 C ATOM 603 O GLY A 135 75.322 15.452 -12.193 1.00 0.00 O ATOM 0 H GLY A 135 77.736 12.737 -14.577 1.00 0.00 H new ATOM 0 HA2 GLY A 135 77.802 14.066 -12.699 1.00 0.00 H new ATOM 0 HA3 GLY A 135 77.417 15.423 -13.739 1.00 0.00 H new ATOM 607 N ARG A 136 74.897 13.473 -13.049 1.00 0.00 N ATOM 608 CA ARG A 136 73.514 13.474 -12.488 1.00 0.00 C ATOM 609 C ARG A 136 73.344 12.324 -11.491 1.00 0.00 C ATOM 610 O ARG A 136 74.079 11.357 -11.512 1.00 0.00 O ATOM 611 CB ARG A 136 72.598 13.277 -13.698 1.00 0.00 C ATOM 612 CG ARG A 136 71.519 14.364 -13.706 1.00 0.00 C ATOM 613 CD ARG A 136 70.159 13.735 -13.394 1.00 0.00 C ATOM 614 NE ARG A 136 69.252 14.228 -14.468 1.00 0.00 N ATOM 615 CZ ARG A 136 68.561 15.320 -14.286 1.00 0.00 C ATOM 616 NH1 ARG A 136 69.011 16.249 -13.490 1.00 0.00 N ATOM 617 NH2 ARG A 136 67.419 15.481 -14.897 1.00 0.00 N ATOM 0 H ARG A 136 75.148 12.641 -13.583 1.00 0.00 H new ATOM 0 HA ARG A 136 73.287 14.394 -11.949 1.00 0.00 H new ATOM 0 HB2 ARG A 136 73.180 13.321 -14.619 1.00 0.00 H new ATOM 0 HB3 ARG A 136 72.135 12.291 -13.660 1.00 0.00 H new ATOM 0 HG2 ARG A 136 71.755 15.131 -12.968 1.00 0.00 H new ATOM 0 HG3 ARG A 136 71.490 14.855 -14.678 1.00 0.00 H new ATOM 0 HD2 ARG A 136 70.218 12.647 -13.395 1.00 0.00 H new ATOM 0 HD3 ARG A 136 69.803 14.034 -12.408 1.00 0.00 H new ATOM 0 HE ARG A 136 69.171 13.713 -15.345 1.00 0.00 H new ATOM 0 HH11 ARG A 136 69.902 16.122 -13.010 1.00 0.00 H new ATOM 0 HH12 ARG A 136 68.472 17.103 -13.347 1.00 0.00 H new ATOM 0 HH21 ARG A 136 67.066 14.753 -15.518 1.00 0.00 H new ATOM 0 HH22 ARG A 136 66.880 16.335 -14.754 1.00 0.00 H new ATOM 631 N SER A 137 72.381 12.424 -10.616 1.00 0.00 N ATOM 632 CA SER A 137 72.159 11.342 -9.612 1.00 0.00 C ATOM 633 C SER A 137 71.184 10.297 -10.159 1.00 0.00 C ATOM 634 O SER A 137 70.192 10.620 -10.780 1.00 0.00 O ATOM 635 CB SER A 137 71.556 12.049 -8.399 1.00 0.00 C ATOM 636 OG SER A 137 72.349 11.775 -7.253 1.00 0.00 O ATOM 0 H SER A 137 71.735 13.211 -10.552 1.00 0.00 H new ATOM 0 HA SER A 137 73.081 10.815 -9.365 1.00 0.00 H new ATOM 0 HB2 SER A 137 71.511 13.124 -8.575 1.00 0.00 H new ATOM 0 HB3 SER A 137 70.533 11.709 -8.237 1.00 0.00 H new ATOM 0 HG SER A 137 71.996 12.270 -6.485 1.00 0.00 H new ATOM 642 N ARG A 138 71.458 9.048 -9.915 1.00 0.00 N ATOM 643 CA ARG A 138 70.554 7.969 -10.395 1.00 0.00 C ATOM 644 C ARG A 138 69.522 7.673 -9.308 1.00 0.00 C ATOM 645 O ARG A 138 68.433 7.203 -9.573 1.00 0.00 O ATOM 646 CB ARG A 138 71.466 6.765 -10.631 1.00 0.00 C ATOM 647 CG ARG A 138 70.711 5.690 -11.413 1.00 0.00 C ATOM 648 CD ARG A 138 71.706 4.665 -11.960 1.00 0.00 C ATOM 649 NE ARG A 138 71.245 4.383 -13.347 1.00 0.00 N ATOM 650 CZ ARG A 138 71.727 3.360 -14.000 1.00 0.00 C ATOM 651 NH1 ARG A 138 72.770 2.723 -13.540 1.00 0.00 N ATOM 652 NH2 ARG A 138 71.164 2.974 -15.112 1.00 0.00 N ATOM 0 H ARG A 138 72.277 8.726 -9.399 1.00 0.00 H new ATOM 0 HA ARG A 138 70.009 8.233 -11.301 1.00 0.00 H new ATOM 0 HB2 ARG A 138 72.354 7.073 -11.182 1.00 0.00 H new ATOM 0 HB3 ARG A 138 71.806 6.362 -9.677 1.00 0.00 H new ATOM 0 HG2 ARG A 138 69.984 5.198 -10.767 1.00 0.00 H new ATOM 0 HG3 ARG A 138 70.154 6.145 -12.232 1.00 0.00 H new ATOM 0 HD2 ARG A 138 72.722 5.059 -11.954 1.00 0.00 H new ATOM 0 HD3 ARG A 138 71.712 3.759 -11.354 1.00 0.00 H new ATOM 0 HE ARG A 138 70.553 4.989 -13.787 1.00 0.00 H new ATOM 0 HH11 ARG A 138 73.209 3.024 -12.670 1.00 0.00 H new ATOM 0 HH12 ARG A 138 73.146 1.924 -14.051 1.00 0.00 H new ATOM 0 HH21 ARG A 138 70.349 3.471 -15.470 1.00 0.00 H new ATOM 0 HH22 ARG A 138 71.539 2.175 -15.623 1.00 0.00 H new ATOM 666 N GLY A 139 69.856 7.976 -8.083 1.00 0.00 N ATOM 667 CA GLY A 139 68.900 7.750 -6.967 1.00 0.00 C ATOM 668 C GLY A 139 69.079 6.356 -6.360 1.00 0.00 C ATOM 669 O GLY A 139 68.111 5.684 -6.065 1.00 0.00 O ATOM 0 H GLY A 139 70.755 8.372 -7.808 1.00 0.00 H new ATOM 0 HA2 GLY A 139 69.050 8.507 -6.197 1.00 0.00 H new ATOM 0 HA3 GLY A 139 67.879 7.863 -7.331 1.00 0.00 H new ATOM 673 N PHE A 140 70.290 5.907 -6.145 1.00 0.00 N ATOM 674 CA PHE A 140 70.451 4.557 -5.527 1.00 0.00 C ATOM 675 C PHE A 140 71.849 4.407 -4.927 1.00 0.00 C ATOM 676 O PHE A 140 72.829 4.764 -5.537 1.00 0.00 O ATOM 677 CB PHE A 140 70.202 3.557 -6.661 1.00 0.00 C ATOM 678 CG PHE A 140 71.473 3.291 -7.434 1.00 0.00 C ATOM 679 CD1 PHE A 140 72.341 2.273 -7.023 1.00 0.00 C ATOM 680 CD2 PHE A 140 71.777 4.053 -8.569 1.00 0.00 C ATOM 681 CE1 PHE A 140 73.513 2.018 -7.743 1.00 0.00 C ATOM 682 CE2 PHE A 140 72.949 3.796 -9.291 1.00 0.00 C ATOM 683 CZ PHE A 140 73.817 2.778 -8.879 1.00 0.00 C ATOM 0 H PHE A 140 71.154 6.403 -6.364 1.00 0.00 H new ATOM 0 HA PHE A 140 69.755 4.391 -4.705 1.00 0.00 H new ATOM 0 HB2 PHE A 140 69.819 2.623 -6.250 1.00 0.00 H new ATOM 0 HB3 PHE A 140 69.437 3.946 -7.333 1.00 0.00 H new ATOM 0 HD1 PHE A 140 72.106 1.684 -6.149 1.00 0.00 H new ATOM 0 HD2 PHE A 140 71.108 4.839 -8.887 1.00 0.00 H new ATOM 0 HE1 PHE A 140 74.184 1.235 -7.422 1.00 0.00 H new ATOM 0 HE2 PHE A 140 73.183 4.384 -10.166 1.00 0.00 H new ATOM 0 HZ PHE A 140 74.720 2.579 -9.437 1.00 0.00 H new ATOM 693 N GLY A 141 71.945 3.893 -3.726 1.00 0.00 N ATOM 694 CA GLY A 141 73.285 3.736 -3.087 1.00 0.00 C ATOM 695 C GLY A 141 73.410 2.355 -2.442 1.00 0.00 C ATOM 696 O GLY A 141 72.624 1.463 -2.700 1.00 0.00 O ATOM 0 H GLY A 141 71.155 3.577 -3.163 1.00 0.00 H new ATOM 0 HA2 GLY A 141 74.068 3.868 -3.833 1.00 0.00 H new ATOM 0 HA3 GLY A 141 73.429 4.511 -2.334 1.00 0.00 H new ATOM 700 N PHE A 142 74.404 2.169 -1.613 1.00 0.00 N ATOM 701 CA PHE A 142 74.593 0.842 -0.961 1.00 0.00 C ATOM 702 C PHE A 142 74.591 0.966 0.564 1.00 0.00 C ATOM 703 O PHE A 142 74.686 2.044 1.117 1.00 0.00 O ATOM 704 CB PHE A 142 75.965 0.360 -1.428 1.00 0.00 C ATOM 705 CG PHE A 142 75.859 -0.237 -2.806 1.00 0.00 C ATOM 706 CD1 PHE A 142 75.539 0.574 -3.901 1.00 0.00 C ATOM 707 CD2 PHE A 142 76.088 -1.604 -2.988 1.00 0.00 C ATOM 708 CE1 PHE A 142 75.447 0.015 -5.180 1.00 0.00 C ATOM 709 CE2 PHE A 142 75.998 -2.164 -4.268 1.00 0.00 C ATOM 710 CZ PHE A 142 75.678 -1.353 -5.364 1.00 0.00 C ATOM 0 H PHE A 142 75.092 2.879 -1.360 1.00 0.00 H new ATOM 0 HA PHE A 142 73.788 0.157 -1.226 1.00 0.00 H new ATOM 0 HB2 PHE A 142 76.669 1.192 -1.436 1.00 0.00 H new ATOM 0 HB3 PHE A 142 76.356 -0.381 -0.731 1.00 0.00 H new ATOM 0 HD1 PHE A 142 75.363 1.630 -3.759 1.00 0.00 H new ATOM 0 HD2 PHE A 142 76.334 -2.228 -2.142 1.00 0.00 H new ATOM 0 HE1 PHE A 142 75.198 0.639 -6.025 1.00 0.00 H new ATOM 0 HE2 PHE A 142 76.175 -3.220 -4.410 1.00 0.00 H new ATOM 0 HZ PHE A 142 75.609 -1.784 -6.352 1.00 0.00 H new ATOM 720 N VAL A 143 74.508 -0.146 1.240 1.00 0.00 N ATOM 721 CA VAL A 143 74.528 -0.137 2.727 1.00 0.00 C ATOM 722 C VAL A 143 75.268 -1.378 3.217 1.00 0.00 C ATOM 723 O VAL A 143 75.055 -2.472 2.731 1.00 0.00 O ATOM 724 CB VAL A 143 73.059 -0.163 3.161 1.00 0.00 C ATOM 725 CG1 VAL A 143 72.956 -0.650 4.608 1.00 0.00 C ATOM 726 CG2 VAL A 143 72.475 1.247 3.062 1.00 0.00 C ATOM 0 H VAL A 143 74.426 -1.071 0.819 1.00 0.00 H new ATOM 0 HA VAL A 143 75.036 0.735 3.139 1.00 0.00 H new ATOM 0 HB VAL A 143 72.504 -0.839 2.510 1.00 0.00 H new ATOM 0 HG11 VAL A 143 71.910 -0.667 4.913 1.00 0.00 H new ATOM 0 HG12 VAL A 143 73.372 -1.654 4.684 1.00 0.00 H new ATOM 0 HG13 VAL A 143 73.513 0.024 5.259 1.00 0.00 H new ATOM 0 HG21 VAL A 143 71.430 1.230 3.370 1.00 0.00 H new ATOM 0 HG22 VAL A 143 73.035 1.919 3.713 1.00 0.00 H new ATOM 0 HG23 VAL A 143 72.544 1.598 2.032 1.00 0.00 H new ATOM 736 N LEU A 144 76.151 -1.217 4.156 1.00 0.00 N ATOM 737 CA LEU A 144 76.922 -2.382 4.656 1.00 0.00 C ATOM 738 C LEU A 144 76.704 -2.559 6.158 1.00 0.00 C ATOM 739 O LEU A 144 77.279 -1.857 6.968 1.00 0.00 O ATOM 740 CB LEU A 144 78.372 -2.021 4.346 1.00 0.00 C ATOM 741 CG LEU A 144 78.795 -2.691 3.035 1.00 0.00 C ATOM 742 CD1 LEU A 144 78.295 -1.863 1.847 1.00 0.00 C ATOM 743 CD2 LEU A 144 80.322 -2.782 2.984 1.00 0.00 C ATOM 0 H LEU A 144 76.373 -0.326 4.600 1.00 0.00 H new ATOM 0 HA LEU A 144 76.623 -3.324 4.196 1.00 0.00 H new ATOM 0 HB2 LEU A 144 78.480 -0.939 4.265 1.00 0.00 H new ATOM 0 HB3 LEU A 144 79.021 -2.346 5.159 1.00 0.00 H new ATOM 0 HG LEU A 144 78.365 -3.691 2.984 1.00 0.00 H new ATOM 0 HD11 LEU A 144 78.598 -2.343 0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 144 77.208 -1.795 1.883 1.00 0.00 H new ATOM 0 HD13 LEU A 144 78.723 -0.862 1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 144 80.627 -3.258 2.052 1.00 0.00 H new ATOM 0 HD22 LEU A 144 80.748 -1.780 3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 144 80.680 -3.372 3.828 1.00 0.00 H new ATOM 755 N PHE A 145 75.872 -3.488 6.537 1.00 0.00 N ATOM 756 CA PHE A 145 75.610 -3.707 7.986 1.00 0.00 C ATOM 757 C PHE A 145 76.777 -4.454 8.631 1.00 0.00 C ATOM 758 O PHE A 145 77.551 -5.114 7.969 1.00 0.00 O ATOM 759 CB PHE A 145 74.337 -4.547 8.037 1.00 0.00 C ATOM 760 CG PHE A 145 73.142 -3.628 8.049 1.00 0.00 C ATOM 761 CD1 PHE A 145 72.894 -2.821 9.164 1.00 0.00 C ATOM 762 CD2 PHE A 145 72.285 -3.579 6.944 1.00 0.00 C ATOM 763 CE1 PHE A 145 71.787 -1.964 9.176 1.00 0.00 C ATOM 764 CE2 PHE A 145 71.178 -2.723 6.955 1.00 0.00 C ATOM 765 CZ PHE A 145 70.929 -1.915 8.071 1.00 0.00 C ATOM 0 H PHE A 145 75.362 -4.105 5.905 1.00 0.00 H new ATOM 0 HA PHE A 145 75.499 -2.769 8.530 1.00 0.00 H new ATOM 0 HB2 PHE A 145 74.291 -5.213 7.175 1.00 0.00 H new ATOM 0 HB3 PHE A 145 74.337 -5.176 8.927 1.00 0.00 H new ATOM 0 HD1 PHE A 145 73.557 -2.859 10.016 1.00 0.00 H new ATOM 0 HD2 PHE A 145 72.478 -4.202 6.083 1.00 0.00 H new ATOM 0 HE1 PHE A 145 71.595 -1.341 10.037 1.00 0.00 H new ATOM 0 HE2 PHE A 145 70.516 -2.686 6.103 1.00 0.00 H new ATOM 0 HZ PHE A 145 70.075 -1.254 8.079 1.00 0.00 H new ATOM 775 N LYS A 146 76.914 -4.340 9.921 1.00 0.00 N ATOM 776 CA LYS A 146 78.038 -5.029 10.617 1.00 0.00 C ATOM 777 C LYS A 146 77.672 -6.478 10.962 1.00 0.00 C ATOM 778 O LYS A 146 78.520 -7.260 11.342 1.00 0.00 O ATOM 779 CB LYS A 146 78.267 -4.221 11.895 1.00 0.00 C ATOM 780 CG LYS A 146 79.218 -4.985 12.821 1.00 0.00 C ATOM 781 CD LYS A 146 80.492 -5.351 12.059 1.00 0.00 C ATOM 782 CE LYS A 146 81.432 -6.133 12.980 1.00 0.00 C ATOM 783 NZ LYS A 146 80.758 -7.443 13.200 1.00 0.00 N ATOM 0 H LYS A 146 76.296 -3.799 10.526 1.00 0.00 H new ATOM 0 HA LYS A 146 78.928 -5.077 9.990 1.00 0.00 H new ATOM 0 HB2 LYS A 146 78.687 -3.245 11.650 1.00 0.00 H new ATOM 0 HB3 LYS A 146 77.317 -4.042 12.399 1.00 0.00 H new ATOM 0 HG2 LYS A 146 79.464 -4.374 13.690 1.00 0.00 H new ATOM 0 HG3 LYS A 146 78.733 -5.887 13.193 1.00 0.00 H new ATOM 0 HD2 LYS A 146 80.245 -5.949 11.182 1.00 0.00 H new ATOM 0 HD3 LYS A 146 80.986 -4.448 11.700 1.00 0.00 H new ATOM 0 HE2 LYS A 146 82.412 -6.266 12.522 1.00 0.00 H new ATOM 0 HE3 LYS A 146 81.589 -5.607 13.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 80.422 -7.500 14.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 79.949 -7.530 12.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 81.431 -8.215 13.019 1.00 0.00 H new ATOM 797 N GLU A 147 76.425 -6.849 10.847 1.00 0.00 N ATOM 798 CA GLU A 147 76.048 -8.252 11.188 1.00 0.00 C ATOM 799 C GLU A 147 74.934 -8.757 10.267 1.00 0.00 C ATOM 800 O GLU A 147 74.119 -7.996 9.785 1.00 0.00 O ATOM 801 CB GLU A 147 75.556 -8.179 12.632 1.00 0.00 C ATOM 802 CG GLU A 147 75.598 -9.572 13.260 1.00 0.00 C ATOM 803 CD GLU A 147 74.353 -9.776 14.127 1.00 0.00 C ATOM 804 OE1 GLU A 147 73.410 -9.019 13.960 1.00 0.00 O ATOM 805 OE2 GLU A 147 74.365 -10.684 14.942 1.00 0.00 O ATOM 0 H GLU A 147 75.660 -6.251 10.536 1.00 0.00 H new ATOM 0 HA GLU A 147 76.883 -8.942 11.067 1.00 0.00 H new ATOM 0 HB2 GLU A 147 76.179 -7.492 13.205 1.00 0.00 H new ATOM 0 HB3 GLU A 147 74.539 -7.787 12.661 1.00 0.00 H new ATOM 0 HG2 GLU A 147 75.641 -10.333 12.481 1.00 0.00 H new ATOM 0 HG3 GLU A 147 76.498 -9.684 13.865 1.00 0.00 H new ATOM 812 N SER A 148 74.889 -10.039 10.026 1.00 0.00 N ATOM 813 CA SER A 148 73.820 -10.593 9.147 1.00 0.00 C ATOM 814 C SER A 148 72.453 -10.324 9.777 1.00 0.00 C ATOM 815 O SER A 148 71.488 -10.037 9.095 1.00 0.00 O ATOM 816 CB SER A 148 74.097 -12.094 9.079 1.00 0.00 C ATOM 817 OG SER A 148 75.205 -12.329 8.221 1.00 0.00 O ATOM 0 H SER A 148 75.545 -10.726 10.399 1.00 0.00 H new ATOM 0 HA SER A 148 73.815 -10.142 8.155 1.00 0.00 H new ATOM 0 HB2 SER A 148 74.306 -12.482 10.076 1.00 0.00 H new ATOM 0 HB3 SER A 148 73.218 -12.621 8.709 1.00 0.00 H new ATOM 0 HG SER A 148 75.386 -13.291 8.177 1.00 0.00 H new ATOM 823 N GLU A 149 72.366 -10.403 11.077 1.00 0.00 N ATOM 824 CA GLU A 149 71.065 -10.140 11.750 1.00 0.00 C ATOM 825 C GLU A 149 70.632 -8.697 11.475 1.00 0.00 C ATOM 826 O GLU A 149 69.561 -8.449 10.957 1.00 0.00 O ATOM 827 CB GLU A 149 71.333 -10.352 13.241 1.00 0.00 C ATOM 828 CG GLU A 149 70.285 -11.305 13.820 1.00 0.00 C ATOM 829 CD GLU A 149 70.338 -11.250 15.348 1.00 0.00 C ATOM 830 OE1 GLU A 149 71.433 -11.161 15.878 1.00 0.00 O ATOM 831 OE2 GLU A 149 69.284 -11.298 15.960 1.00 0.00 O ATOM 0 H GLU A 149 73.139 -10.638 11.700 1.00 0.00 H new ATOM 0 HA GLU A 149 70.268 -10.792 11.393 1.00 0.00 H new ATOM 0 HB2 GLU A 149 72.332 -10.762 13.387 1.00 0.00 H new ATOM 0 HB3 GLU A 149 71.301 -9.397 13.766 1.00 0.00 H new ATOM 0 HG2 GLU A 149 69.291 -11.027 13.469 1.00 0.00 H new ATOM 0 HG3 GLU A 149 70.472 -12.322 13.475 1.00 0.00 H new ATOM 838 N SER A 150 71.462 -7.740 11.806 1.00 0.00 N ATOM 839 CA SER A 150 71.088 -6.320 11.544 1.00 0.00 C ATOM 840 C SER A 150 70.519 -6.198 10.128 1.00 0.00 C ATOM 841 O SER A 150 69.587 -5.455 9.883 1.00 0.00 O ATOM 842 CB SER A 150 72.387 -5.520 11.686 1.00 0.00 C ATOM 843 OG SER A 150 73.383 -6.068 10.832 1.00 0.00 O ATOM 0 H SER A 150 72.373 -7.880 12.242 1.00 0.00 H new ATOM 0 HA SER A 150 70.326 -5.953 12.232 1.00 0.00 H new ATOM 0 HB2 SER A 150 72.211 -4.475 11.432 1.00 0.00 H new ATOM 0 HB3 SER A 150 72.729 -5.543 12.721 1.00 0.00 H new ATOM 0 HG SER A 150 73.246 -7.035 10.747 1.00 0.00 H new ATOM 849 N VAL A 151 71.062 -6.936 9.195 1.00 0.00 N ATOM 850 CA VAL A 151 70.539 -6.874 7.799 1.00 0.00 C ATOM 851 C VAL A 151 69.200 -7.612 7.718 1.00 0.00 C ATOM 852 O VAL A 151 68.307 -7.219 6.994 1.00 0.00 O ATOM 853 CB VAL A 151 71.592 -7.575 6.933 1.00 0.00 C ATOM 854 CG1 VAL A 151 71.394 -7.175 5.468 1.00 0.00 C ATOM 855 CG2 VAL A 151 72.992 -7.157 7.381 1.00 0.00 C ATOM 0 H VAL A 151 71.842 -7.577 9.339 1.00 0.00 H new ATOM 0 HA VAL A 151 70.369 -5.850 7.467 1.00 0.00 H new ATOM 0 HB VAL A 151 71.483 -8.654 7.040 1.00 0.00 H new ATOM 0 HG11 VAL A 151 72.142 -7.673 4.851 1.00 0.00 H new ATOM 0 HG12 VAL A 151 70.398 -7.472 5.141 1.00 0.00 H new ATOM 0 HG13 VAL A 151 71.501 -6.095 5.368 1.00 0.00 H new ATOM 0 HG21 VAL A 151 73.737 -7.658 6.762 1.00 0.00 H new ATOM 0 HG22 VAL A 151 73.100 -6.077 7.277 1.00 0.00 H new ATOM 0 HG23 VAL A 151 73.139 -7.437 8.424 1.00 0.00 H new ATOM 865 N ASP A 152 69.051 -8.675 8.465 1.00 0.00 N ATOM 866 CA ASP A 152 67.765 -9.428 8.434 1.00 0.00 C ATOM 867 C ASP A 152 66.645 -8.553 9.009 1.00 0.00 C ATOM 868 O ASP A 152 65.490 -8.688 8.657 1.00 0.00 O ATOM 869 CB ASP A 152 68.014 -10.684 9.293 1.00 0.00 C ATOM 870 CG ASP A 152 67.487 -10.483 10.721 1.00 0.00 C ATOM 871 OD1 ASP A 152 66.280 -10.517 10.896 1.00 0.00 O ATOM 872 OD2 ASP A 152 68.300 -10.298 11.612 1.00 0.00 O ATOM 0 H ASP A 152 69.762 -9.052 9.092 1.00 0.00 H new ATOM 0 HA ASP A 152 67.454 -9.704 7.426 1.00 0.00 H new ATOM 0 HB2 ASP A 152 67.524 -11.544 8.838 1.00 0.00 H new ATOM 0 HB3 ASP A 152 69.081 -10.904 9.322 1.00 0.00 H new ATOM 877 N LYS A 153 66.986 -7.653 9.891 1.00 0.00 N ATOM 878 CA LYS A 153 65.954 -6.762 10.490 1.00 0.00 C ATOM 879 C LYS A 153 65.534 -5.696 9.476 1.00 0.00 C ATOM 880 O LYS A 153 64.363 -5.468 9.250 1.00 0.00 O ATOM 881 CB LYS A 153 66.640 -6.117 11.694 1.00 0.00 C ATOM 882 CG LYS A 153 67.286 -7.202 12.558 1.00 0.00 C ATOM 883 CD LYS A 153 67.106 -6.848 14.037 1.00 0.00 C ATOM 884 CE LYS A 153 68.298 -7.376 14.839 1.00 0.00 C ATOM 885 NZ LYS A 153 67.726 -8.428 15.726 1.00 0.00 N ATOM 0 H LYS A 153 67.938 -7.497 10.223 1.00 0.00 H new ATOM 0 HA LYS A 153 65.053 -7.303 10.778 1.00 0.00 H new ATOM 0 HB2 LYS A 153 67.396 -5.408 11.358 1.00 0.00 H new ATOM 0 HB3 LYS A 153 65.914 -5.555 12.281 1.00 0.00 H new ATOM 0 HG2 LYS A 153 66.831 -8.170 12.346 1.00 0.00 H new ATOM 0 HG3 LYS A 153 68.346 -7.289 12.320 1.00 0.00 H new ATOM 0 HD2 LYS A 153 67.025 -5.768 14.156 1.00 0.00 H new ATOM 0 HD3 LYS A 153 66.180 -7.281 14.415 1.00 0.00 H new ATOM 0 HE2 LYS A 153 69.065 -7.787 14.183 1.00 0.00 H new ATOM 0 HE3 LYS A 153 68.767 -6.582 15.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 68.491 -9.039 16.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 67.244 -7.979 16.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 67.043 -9.001 15.190 1.00 0.00 H new ATOM 899 N VAL A 154 66.476 -5.044 8.857 1.00 0.00 N ATOM 900 CA VAL A 154 66.114 -4.002 7.857 1.00 0.00 C ATOM 901 C VAL A 154 65.428 -4.651 6.653 1.00 0.00 C ATOM 902 O VAL A 154 64.759 -3.996 5.879 1.00 0.00 O ATOM 903 CB VAL A 154 67.439 -3.366 7.442 1.00 0.00 C ATOM 904 CG1 VAL A 154 68.343 -4.437 6.831 1.00 0.00 C ATOM 905 CG2 VAL A 154 67.174 -2.270 6.407 1.00 0.00 C ATOM 0 H VAL A 154 67.476 -5.186 8.999 1.00 0.00 H new ATOM 0 HA VAL A 154 65.422 -3.263 8.261 1.00 0.00 H new ATOM 0 HB VAL A 154 67.927 -2.931 8.314 1.00 0.00 H new ATOM 0 HG11 VAL A 154 69.290 -3.987 6.533 1.00 0.00 H new ATOM 0 HG12 VAL A 154 68.528 -5.220 7.567 1.00 0.00 H new ATOM 0 HG13 VAL A 154 67.856 -4.869 5.957 1.00 0.00 H new ATOM 0 HG21 VAL A 154 68.119 -1.815 6.109 1.00 0.00 H new ATOM 0 HG22 VAL A 154 66.689 -2.705 5.533 1.00 0.00 H new ATOM 0 HG23 VAL A 154 66.525 -1.509 6.841 1.00 0.00 H new ATOM 915 N MET A 155 65.587 -5.935 6.491 1.00 0.00 N ATOM 916 CA MET A 155 64.940 -6.624 5.339 1.00 0.00 C ATOM 917 C MET A 155 63.544 -7.112 5.734 1.00 0.00 C ATOM 918 O MET A 155 62.595 -6.968 4.990 1.00 0.00 O ATOM 919 CB MET A 155 65.851 -7.810 5.015 1.00 0.00 C ATOM 920 CG MET A 155 65.471 -8.380 3.647 1.00 0.00 C ATOM 921 SD MET A 155 66.830 -9.396 3.016 1.00 0.00 S ATOM 922 CE MET A 155 66.592 -9.031 1.259 1.00 0.00 C ATOM 0 H MET A 155 66.136 -6.536 7.105 1.00 0.00 H new ATOM 0 HA MET A 155 64.817 -5.963 4.481 1.00 0.00 H new ATOM 0 HB2 MET A 155 66.894 -7.492 5.013 1.00 0.00 H new ATOM 0 HB3 MET A 155 65.754 -8.578 5.782 1.00 0.00 H new ATOM 0 HG2 MET A 155 64.564 -8.979 3.730 1.00 0.00 H new ATOM 0 HG3 MET A 155 65.255 -7.569 2.951 1.00 0.00 H new ATOM 0 HE1 MET A 155 67.339 -9.565 0.672 1.00 0.00 H new ATOM 0 HE2 MET A 155 65.595 -9.348 0.953 1.00 0.00 H new ATOM 0 HE3 MET A 155 66.698 -7.959 1.092 1.00 0.00 H new ATOM 932 N ASP A 156 63.408 -7.683 6.900 1.00 0.00 N ATOM 933 CA ASP A 156 62.068 -8.170 7.328 1.00 0.00 C ATOM 934 C ASP A 156 61.014 -7.096 7.050 1.00 0.00 C ATOM 935 O ASP A 156 59.882 -7.391 6.724 1.00 0.00 O ATOM 936 CB ASP A 156 62.200 -8.457 8.832 1.00 0.00 C ATOM 937 CG ASP A 156 61.965 -7.184 9.654 1.00 0.00 C ATOM 938 OD1 ASP A 156 60.889 -6.618 9.547 1.00 0.00 O ATOM 939 OD2 ASP A 156 62.862 -6.803 10.388 1.00 0.00 O ATOM 0 H ASP A 156 64.162 -7.832 7.570 1.00 0.00 H new ATOM 0 HA ASP A 156 61.753 -9.063 6.788 1.00 0.00 H new ATOM 0 HB2 ASP A 156 61.481 -9.222 9.125 1.00 0.00 H new ATOM 0 HB3 ASP A 156 63.192 -8.854 9.045 1.00 0.00 H new ATOM 944 N GLN A 157 61.382 -5.848 7.171 1.00 0.00 N ATOM 945 CA GLN A 157 60.403 -4.753 6.909 1.00 0.00 C ATOM 946 C GLN A 157 60.896 -3.870 5.758 1.00 0.00 C ATOM 947 O GLN A 157 61.600 -2.903 5.964 1.00 0.00 O ATOM 948 CB GLN A 157 60.342 -3.953 8.210 1.00 0.00 C ATOM 949 CG GLN A 157 59.134 -3.016 8.178 1.00 0.00 C ATOM 950 CD GLN A 157 58.477 -2.981 9.560 1.00 0.00 C ATOM 951 OE1 GLN A 157 57.284 -3.181 9.683 1.00 0.00 O ATOM 952 NE2 GLN A 157 59.209 -2.736 10.611 1.00 0.00 N ATOM 0 H GLN A 157 62.317 -5.540 7.439 1.00 0.00 H new ATOM 0 HA GLN A 157 59.424 -5.135 6.621 1.00 0.00 H new ATOM 0 HB2 GLN A 157 60.268 -4.629 9.062 1.00 0.00 H new ATOM 0 HB3 GLN A 157 61.259 -3.377 8.338 1.00 0.00 H new ATOM 0 HG2 GLN A 157 59.446 -2.013 7.887 1.00 0.00 H new ATOM 0 HG3 GLN A 157 58.417 -3.356 7.431 1.00 0.00 H new ATOM 0 HE21 GLN A 157 60.210 -2.568 10.508 1.00 0.00 H new ATOM 0 HE22 GLN A 157 58.781 -2.712 11.536 1.00 0.00 H new ATOM 961 N LYS A 158 60.530 -4.198 4.548 1.00 0.00 N ATOM 962 CA LYS A 158 60.978 -3.378 3.384 1.00 0.00 C ATOM 963 C LYS A 158 60.012 -2.228 3.146 1.00 0.00 C ATOM 964 O LYS A 158 59.996 -1.620 2.094 1.00 0.00 O ATOM 965 CB LYS A 158 60.990 -4.345 2.198 1.00 0.00 C ATOM 966 CG LYS A 158 61.409 -3.603 0.927 1.00 0.00 C ATOM 967 CD LYS A 158 61.695 -4.616 -0.183 1.00 0.00 C ATOM 968 CE LYS A 158 60.375 -5.195 -0.697 1.00 0.00 C ATOM 969 NZ LYS A 158 60.747 -6.003 -1.892 1.00 0.00 N ATOM 0 H LYS A 158 59.941 -4.997 4.315 1.00 0.00 H new ATOM 0 HA LYS A 158 61.958 -2.929 3.544 1.00 0.00 H new ATOM 0 HB2 LYS A 158 61.679 -5.167 2.394 1.00 0.00 H new ATOM 0 HB3 LYS A 158 60.001 -4.783 2.065 1.00 0.00 H new ATOM 0 HG2 LYS A 158 60.620 -2.919 0.615 1.00 0.00 H new ATOM 0 HG3 LYS A 158 62.296 -3.000 1.121 1.00 0.00 H new ATOM 0 HD2 LYS A 158 62.236 -4.135 -0.998 1.00 0.00 H new ATOM 0 HD3 LYS A 158 62.333 -5.415 0.195 1.00 0.00 H new ATOM 0 HE2 LYS A 158 59.893 -5.811 0.062 1.00 0.00 H new ATOM 0 HE3 LYS A 158 59.672 -4.404 -0.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 59.892 -6.433 -2.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 61.198 -5.389 -2.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 61.411 -6.753 -1.611 1.00 0.00 H new ATOM 983 N GLU A 159 59.243 -1.886 4.131 1.00 0.00 N ATOM 984 CA GLU A 159 58.326 -0.737 3.972 1.00 0.00 C ATOM 985 C GLU A 159 59.109 0.497 4.364 1.00 0.00 C ATOM 986 O GLU A 159 58.773 1.215 5.284 1.00 0.00 O ATOM 987 CB GLU A 159 57.199 -0.979 4.955 1.00 0.00 C ATOM 988 CG GLU A 159 56.030 -1.664 4.243 1.00 0.00 C ATOM 989 CD GLU A 159 54.769 -0.811 4.392 1.00 0.00 C ATOM 990 OE1 GLU A 159 54.798 0.332 3.970 1.00 0.00 O ATOM 991 OE2 GLU A 159 53.795 -1.317 4.927 1.00 0.00 O ATOM 0 H GLU A 159 59.210 -2.352 5.038 1.00 0.00 H new ATOM 0 HA GLU A 159 57.934 -0.616 2.962 1.00 0.00 H new ATOM 0 HB2 GLU A 159 57.550 -1.600 5.779 1.00 0.00 H new ATOM 0 HB3 GLU A 159 56.871 -0.033 5.386 1.00 0.00 H new ATOM 0 HG2 GLU A 159 56.265 -1.803 3.188 1.00 0.00 H new ATOM 0 HG3 GLU A 159 55.863 -2.655 4.666 1.00 0.00 H new ATOM 998 N HIS A 160 60.187 0.709 3.683 1.00 0.00 N ATOM 999 CA HIS A 160 61.064 1.858 4.000 1.00 0.00 C ATOM 1000 C HIS A 160 60.587 3.110 3.265 1.00 0.00 C ATOM 1001 O HIS A 160 59.685 3.060 2.452 1.00 0.00 O ATOM 1002 CB HIS A 160 62.444 1.450 3.492 1.00 0.00 C ATOM 1003 CG HIS A 160 63.039 0.421 4.410 1.00 0.00 C ATOM 1004 ND1 HIS A 160 64.315 0.570 4.968 1.00 0.00 N ATOM 1005 CD2 HIS A 160 62.560 -0.781 4.875 1.00 0.00 C ATOM 1006 CE1 HIS A 160 64.555 -0.517 5.729 1.00 0.00 C ATOM 1007 NE2 HIS A 160 63.521 -1.343 5.692 1.00 0.00 N ATOM 0 H HIS A 160 60.504 0.127 2.908 1.00 0.00 H new ATOM 0 HA HIS A 160 61.065 2.091 5.065 1.00 0.00 H new ATOM 0 HB2 HIS A 160 62.366 1.048 2.482 1.00 0.00 H new ATOM 0 HB3 HIS A 160 63.095 2.323 3.438 1.00 0.00 H new ATOM 0 HD2 HIS A 160 61.598 -1.212 4.641 1.00 0.00 H new ATOM 0 HE1 HIS A 160 65.462 -0.689 6.289 1.00 0.00 H new ATOM 0 HE2 HIS A 160 63.447 -2.236 6.180 1.00 0.00 H new ATOM 1015 N LYS A 161 61.188 4.230 3.544 1.00 0.00 N ATOM 1016 CA LYS A 161 60.776 5.488 2.865 1.00 0.00 C ATOM 1017 C LYS A 161 61.675 6.635 3.328 1.00 0.00 C ATOM 1018 O LYS A 161 61.242 7.539 4.015 1.00 0.00 O ATOM 1019 CB LYS A 161 59.329 5.718 3.301 1.00 0.00 C ATOM 1020 CG LYS A 161 58.518 6.256 2.121 1.00 0.00 C ATOM 1021 CD LYS A 161 57.453 5.231 1.727 1.00 0.00 C ATOM 1022 CE LYS A 161 56.498 5.013 2.902 1.00 0.00 C ATOM 1023 NZ LYS A 161 55.300 4.362 2.305 1.00 0.00 N ATOM 0 H LYS A 161 61.950 4.329 4.215 1.00 0.00 H new ATOM 0 HA LYS A 161 60.861 5.431 1.780 1.00 0.00 H new ATOM 0 HB2 LYS A 161 58.894 4.785 3.659 1.00 0.00 H new ATOM 0 HB3 LYS A 161 59.296 6.425 4.130 1.00 0.00 H new ATOM 0 HG2 LYS A 161 58.047 7.201 2.390 1.00 0.00 H new ATOM 0 HG3 LYS A 161 59.175 6.457 1.275 1.00 0.00 H new ATOM 0 HD2 LYS A 161 56.900 5.581 0.855 1.00 0.00 H new ATOM 0 HD3 LYS A 161 57.925 4.289 1.448 1.00 0.00 H new ATOM 0 HE2 LYS A 161 56.950 4.382 3.667 1.00 0.00 H new ATOM 0 HE3 LYS A 161 56.238 5.957 3.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 54.597 4.180 3.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 54.887 4.988 1.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 55.578 3.462 1.863 1.00 0.00 H new ATOM 1037 N LEU A 162 62.927 6.598 2.963 1.00 0.00 N ATOM 1038 CA LEU A 162 63.859 7.681 3.389 1.00 0.00 C ATOM 1039 C LEU A 162 63.999 8.723 2.278 1.00 0.00 C ATOM 1040 O LEU A 162 63.744 8.449 1.122 1.00 0.00 O ATOM 1041 CB LEU A 162 65.195 6.980 3.650 1.00 0.00 C ATOM 1042 CG LEU A 162 65.743 6.410 2.342 1.00 0.00 C ATOM 1043 CD1 LEU A 162 67.066 7.095 2.001 1.00 0.00 C ATOM 1044 CD2 LEU A 162 65.975 4.905 2.504 1.00 0.00 C ATOM 0 H LEU A 162 63.345 5.866 2.389 1.00 0.00 H new ATOM 0 HA LEU A 162 63.503 8.209 4.273 1.00 0.00 H new ATOM 0 HB2 LEU A 162 65.908 7.684 4.078 1.00 0.00 H new ATOM 0 HB3 LEU A 162 65.061 6.180 4.378 1.00 0.00 H new ATOM 0 HG LEU A 162 65.027 6.586 1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 162 67.456 6.688 1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 162 66.903 8.167 1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 162 67.784 6.919 2.802 1.00 0.00 H new ATOM 0 HD21 LEU A 162 66.366 4.495 1.573 1.00 0.00 H new ATOM 0 HD22 LEU A 162 66.692 4.732 3.306 1.00 0.00 H new ATOM 0 HD23 LEU A 162 65.032 4.416 2.748 1.00 0.00 H new ATOM 1056 N ASN A 163 64.393 9.919 2.619 1.00 0.00 N ATOM 1057 CA ASN A 163 64.535 10.975 1.577 1.00 0.00 C ATOM 1058 C ASN A 163 63.196 11.177 0.864 1.00 0.00 C ATOM 1059 O ASN A 163 63.128 11.757 -0.201 1.00 0.00 O ATOM 1060 CB ASN A 163 65.587 10.436 0.606 1.00 0.00 C ATOM 1061 CG ASN A 163 66.724 11.451 0.470 1.00 0.00 C ATOM 1062 OD1 ASN A 163 67.102 11.814 -0.626 1.00 0.00 O ATOM 1063 ND2 ASN A 163 67.290 11.925 1.546 1.00 0.00 N ATOM 0 H ASN A 163 64.622 10.210 3.569 1.00 0.00 H new ATOM 0 HA ASN A 163 64.828 11.939 1.993 1.00 0.00 H new ATOM 0 HB2 ASN A 163 65.976 9.484 0.967 1.00 0.00 H new ATOM 0 HB3 ASN A 163 65.135 10.247 -0.368 1.00 0.00 H new ATOM 0 HD21 ASN A 163 68.050 12.601 1.467 1.00 0.00 H new ATOM 0 HD22 ASN A 163 66.972 11.620 2.466 1.00 0.00 H new ATOM 1070 N GLY A 164 62.130 10.699 1.449 1.00 0.00 N ATOM 1071 CA GLY A 164 60.792 10.857 0.814 1.00 0.00 C ATOM 1072 C GLY A 164 60.602 9.780 -0.257 1.00 0.00 C ATOM 1073 O GLY A 164 59.803 9.926 -1.161 1.00 0.00 O ATOM 0 H GLY A 164 62.130 10.205 2.341 1.00 0.00 H new ATOM 0 HA2 GLY A 164 60.009 10.777 1.568 1.00 0.00 H new ATOM 0 HA3 GLY A 164 60.705 11.848 0.368 1.00 0.00 H new ATOM 1077 N LYS A 165 61.331 8.698 -0.168 1.00 0.00 N ATOM 1078 CA LYS A 165 61.187 7.618 -1.188 1.00 0.00 C ATOM 1079 C LYS A 165 61.508 6.254 -0.570 1.00 0.00 C ATOM 1080 O LYS A 165 62.314 6.144 0.333 1.00 0.00 O ATOM 1081 CB LYS A 165 62.206 7.963 -2.274 1.00 0.00 C ATOM 1082 CG LYS A 165 61.475 8.419 -3.539 1.00 0.00 C ATOM 1083 CD LYS A 165 61.460 7.278 -4.559 1.00 0.00 C ATOM 1084 CE LYS A 165 61.418 7.856 -5.975 1.00 0.00 C ATOM 1085 NZ LYS A 165 60.186 7.286 -6.587 1.00 0.00 N ATOM 0 H LYS A 165 62.017 8.516 0.564 1.00 0.00 H new ATOM 0 HA LYS A 165 60.172 7.557 -1.581 1.00 0.00 H new ATOM 0 HB2 LYS A 165 62.873 8.751 -1.924 1.00 0.00 H new ATOM 0 HB3 LYS A 165 62.826 7.094 -2.494 1.00 0.00 H new ATOM 0 HG2 LYS A 165 60.455 8.717 -3.295 1.00 0.00 H new ATOM 0 HG3 LYS A 165 61.970 9.293 -3.963 1.00 0.00 H new ATOM 0 HD2 LYS A 165 62.346 6.655 -4.436 1.00 0.00 H new ATOM 0 HD3 LYS A 165 60.594 6.638 -4.391 1.00 0.00 H new ATOM 0 HE2 LYS A 165 61.382 8.945 -5.956 1.00 0.00 H new ATOM 0 HE3 LYS A 165 62.306 7.577 -6.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 60.088 7.637 -7.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 60.252 6.248 -6.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 59.356 7.574 -6.030 1.00 0.00 H new ATOM 1099 N VAL A 166 60.891 5.210 -1.057 1.00 0.00 N ATOM 1100 CA VAL A 166 61.171 3.855 -0.503 1.00 0.00 C ATOM 1101 C VAL A 166 62.514 3.344 -1.042 1.00 0.00 C ATOM 1102 O VAL A 166 63.206 4.039 -1.758 1.00 0.00 O ATOM 1103 CB VAL A 166 59.999 2.983 -0.978 1.00 0.00 C ATOM 1104 CG1 VAL A 166 60.284 2.418 -2.373 1.00 0.00 C ATOM 1105 CG2 VAL A 166 59.797 1.831 0.008 1.00 0.00 C ATOM 0 H VAL A 166 60.207 5.238 -1.813 1.00 0.00 H new ATOM 0 HA VAL A 166 61.251 3.846 0.584 1.00 0.00 H new ATOM 0 HB VAL A 166 59.098 3.594 -1.026 1.00 0.00 H new ATOM 0 HG11 VAL A 166 59.444 1.803 -2.695 1.00 0.00 H new ATOM 0 HG12 VAL A 166 60.423 3.239 -3.077 1.00 0.00 H new ATOM 0 HG13 VAL A 166 61.188 1.810 -2.342 1.00 0.00 H new ATOM 0 HG21 VAL A 166 58.966 1.209 -0.325 1.00 0.00 H new ATOM 0 HG22 VAL A 166 60.705 1.229 0.055 1.00 0.00 H new ATOM 0 HG23 VAL A 166 59.576 2.233 0.997 1.00 0.00 H new ATOM 1115 N ILE A 167 62.895 2.142 -0.701 1.00 0.00 N ATOM 1116 CA ILE A 167 64.204 1.614 -1.198 1.00 0.00 C ATOM 1117 C ILE A 167 64.081 0.173 -1.687 1.00 0.00 C ATOM 1118 O ILE A 167 63.119 -0.517 -1.417 1.00 0.00 O ATOM 1119 CB ILE A 167 65.169 1.655 -0.006 1.00 0.00 C ATOM 1120 CG1 ILE A 167 64.395 1.538 1.313 1.00 0.00 C ATOM 1121 CG2 ILE A 167 65.961 2.960 -0.028 1.00 0.00 C ATOM 1122 CD1 ILE A 167 65.292 0.900 2.375 1.00 0.00 C ATOM 0 H ILE A 167 62.364 1.506 -0.106 1.00 0.00 H new ATOM 0 HA ILE A 167 64.552 2.215 -2.038 1.00 0.00 H new ATOM 0 HB ILE A 167 65.857 0.813 -0.083 1.00 0.00 H new ATOM 0 HG12 ILE A 167 64.067 2.524 1.643 1.00 0.00 H new ATOM 0 HG13 ILE A 167 63.498 0.935 1.169 1.00 0.00 H new ATOM 0 HG21 ILE A 167 66.645 2.985 0.820 1.00 0.00 H new ATOM 0 HG22 ILE A 167 66.530 3.024 -0.955 1.00 0.00 H new ATOM 0 HG23 ILE A 167 65.274 3.804 0.035 1.00 0.00 H new ATOM 0 HD11 ILE A 167 64.743 0.816 3.313 1.00 0.00 H new ATOM 0 HD12 ILE A 167 65.598 -0.092 2.044 1.00 0.00 H new ATOM 0 HD13 ILE A 167 66.175 1.521 2.526 1.00 0.00 H new ATOM 1134 N ASP A 168 65.086 -0.284 -2.379 1.00 0.00 N ATOM 1135 CA ASP A 168 65.096 -1.685 -2.873 1.00 0.00 C ATOM 1136 C ASP A 168 66.273 -2.408 -2.220 1.00 0.00 C ATOM 1137 O ASP A 168 67.371 -2.406 -2.744 1.00 0.00 O ATOM 1138 CB ASP A 168 65.293 -1.577 -4.386 1.00 0.00 C ATOM 1139 CG ASP A 168 64.917 -2.903 -5.047 1.00 0.00 C ATOM 1140 OD1 ASP A 168 64.360 -3.748 -4.365 1.00 0.00 O ATOM 1141 OD2 ASP A 168 65.192 -3.053 -6.228 1.00 0.00 O ATOM 0 H ASP A 168 65.911 0.262 -2.626 1.00 0.00 H new ATOM 0 HA ASP A 168 64.185 -2.237 -2.639 1.00 0.00 H new ATOM 0 HB2 ASP A 168 64.677 -0.772 -4.787 1.00 0.00 H new ATOM 0 HB3 ASP A 168 66.330 -1.328 -4.611 1.00 0.00 H new ATOM 1146 N PRO A 169 66.005 -2.971 -1.073 1.00 0.00 N ATOM 1147 CA PRO A 169 67.055 -3.681 -0.300 1.00 0.00 C ATOM 1148 C PRO A 169 67.418 -5.014 -0.956 1.00 0.00 C ATOM 1149 O PRO A 169 66.563 -5.804 -1.302 1.00 0.00 O ATOM 1150 CB PRO A 169 66.403 -3.910 1.061 1.00 0.00 C ATOM 1151 CG PRO A 169 64.932 -3.900 0.793 1.00 0.00 C ATOM 1152 CD PRO A 169 64.706 -2.999 -0.393 1.00 0.00 C ATOM 0 HA PRO A 169 67.986 -3.117 -0.240 1.00 0.00 H new ATOM 0 HB2 PRO A 169 66.718 -4.859 1.495 1.00 0.00 H new ATOM 0 HB3 PRO A 169 66.681 -3.128 1.768 1.00 0.00 H new ATOM 0 HG2 PRO A 169 64.571 -4.907 0.586 1.00 0.00 H new ATOM 0 HG3 PRO A 169 64.384 -3.537 1.663 1.00 0.00 H new ATOM 0 HD2 PRO A 169 63.923 -3.387 -1.045 1.00 0.00 H new ATOM 0 HD3 PRO A 169 64.397 -2.001 -0.082 1.00 0.00 H new ATOM 1160 N LYS A 170 68.688 -5.271 -1.112 1.00 0.00 N ATOM 1161 CA LYS A 170 69.125 -6.555 -1.729 1.00 0.00 C ATOM 1162 C LYS A 170 70.455 -6.993 -1.131 1.00 0.00 C ATOM 1163 O LYS A 170 70.932 -6.429 -0.166 1.00 0.00 O ATOM 1164 CB LYS A 170 69.322 -6.257 -3.209 1.00 0.00 C ATOM 1165 CG LYS A 170 68.213 -6.924 -4.022 1.00 0.00 C ATOM 1166 CD LYS A 170 68.175 -6.320 -5.428 1.00 0.00 C ATOM 1167 CE LYS A 170 66.726 -6.009 -5.811 1.00 0.00 C ATOM 1168 NZ LYS A 170 66.038 -7.330 -5.813 1.00 0.00 N ATOM 0 H LYS A 170 69.444 -4.644 -0.837 1.00 0.00 H new ATOM 0 HA LYS A 170 68.395 -7.347 -1.559 1.00 0.00 H new ATOM 0 HB2 LYS A 170 69.312 -5.180 -3.377 1.00 0.00 H new ATOM 0 HB3 LYS A 170 70.296 -6.622 -3.537 1.00 0.00 H new ATOM 0 HG2 LYS A 170 68.387 -7.998 -4.081 1.00 0.00 H new ATOM 0 HG3 LYS A 170 67.251 -6.784 -3.528 1.00 0.00 H new ATOM 0 HD2 LYS A 170 68.774 -5.410 -5.461 1.00 0.00 H new ATOM 0 HD3 LYS A 170 68.611 -7.015 -6.146 1.00 0.00 H new ATOM 0 HE2 LYS A 170 66.267 -5.325 -5.097 1.00 0.00 H new ATOM 0 HE3 LYS A 170 66.670 -5.533 -6.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 65.202 -7.285 -6.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 66.690 -8.060 -6.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 65.741 -7.568 -4.845 1.00 0.00 H new ATOM 1182 N ARG A 171 71.066 -7.985 -1.709 1.00 0.00 N ATOM 1183 CA ARG A 171 72.375 -8.446 -1.186 1.00 0.00 C ATOM 1184 C ARG A 171 73.514 -7.713 -1.893 1.00 0.00 C ATOM 1185 O ARG A 171 73.302 -6.749 -2.601 1.00 0.00 O ATOM 1186 CB ARG A 171 72.423 -9.943 -1.483 1.00 0.00 C ATOM 1187 CG ARG A 171 71.288 -10.647 -0.736 1.00 0.00 C ATOM 1188 CD ARG A 171 71.874 -11.628 0.282 1.00 0.00 C ATOM 1189 NE ARG A 171 70.799 -12.634 0.506 1.00 0.00 N ATOM 1190 CZ ARG A 171 70.306 -13.301 -0.502 1.00 0.00 C ATOM 1191 NH1 ARG A 171 71.019 -13.469 -1.584 1.00 0.00 N ATOM 1192 NH2 ARG A 171 69.100 -13.797 -0.431 1.00 0.00 N ATOM 0 H ARG A 171 70.715 -8.495 -2.520 1.00 0.00 H new ATOM 0 HA ARG A 171 72.487 -8.246 -0.120 1.00 0.00 H new ATOM 0 HB2 ARG A 171 72.329 -10.115 -2.555 1.00 0.00 H new ATOM 0 HB3 ARG A 171 73.385 -10.355 -1.177 1.00 0.00 H new ATOM 0 HG2 ARG A 171 70.662 -9.912 -0.229 1.00 0.00 H new ATOM 0 HG3 ARG A 171 70.649 -11.178 -1.442 1.00 0.00 H new ATOM 0 HD2 ARG A 171 72.781 -12.097 -0.098 1.00 0.00 H new ATOM 0 HD3 ARG A 171 72.141 -11.122 1.210 1.00 0.00 H new ATOM 0 HE ARG A 171 70.447 -12.802 1.449 1.00 0.00 H new ATOM 0 HH11 ARG A 171 71.960 -13.079 -1.640 1.00 0.00 H new ATOM 0 HH12 ARG A 171 70.635 -13.990 -2.372 1.00 0.00 H new ATOM 0 HH21 ARG A 171 68.542 -13.663 0.413 1.00 0.00 H new ATOM 0 HH22 ARG A 171 68.716 -14.318 -1.219 1.00 0.00 H new ATOM 1206 N ALA A 172 74.722 -8.162 -1.703 1.00 0.00 N ATOM 1207 CA ALA A 172 75.879 -7.490 -2.358 1.00 0.00 C ATOM 1208 C ALA A 172 76.913 -8.530 -2.799 1.00 0.00 C ATOM 1209 O ALA A 172 76.666 -9.719 -2.763 1.00 0.00 O ATOM 1210 CB ALA A 172 76.451 -6.572 -1.280 1.00 0.00 C ATOM 0 H ALA A 172 74.959 -8.966 -1.122 1.00 0.00 H new ATOM 0 HA ALA A 172 75.594 -6.938 -3.253 1.00 0.00 H new ATOM 0 HB1 ALA A 172 77.312 -6.035 -1.679 1.00 0.00 H new ATOM 0 HB2 ALA A 172 75.689 -5.857 -0.969 1.00 0.00 H new ATOM 0 HB3 ALA A 172 76.761 -7.168 -0.422 1.00 0.00 H new TER 1216 ALA A 172