USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 519 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 97:sc= -0.319 USER MOD Set 1.2: A 163 ASN : amide:sc= -0.667 K(o=-0.99,f=-2.9!) USER MOD Set 2.1: A 116 TYR OH : rot 0:sc= 0.239 USER MOD Set 2.2: A 160 HIS : no HD1:sc= -13.9! C(o=-14!,f=-12!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 157:sc= -7.86! (180deg=-9.39!) USER MOD Single : A 105 SER OG : rot 180:sc= -0.254 USER MOD Single : A 109 THR OG1 : rot -80:sc= 0.799 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -116:sc= 0 (180deg=-0.0473) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot -20:sc= 0.289 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 CYS SG : rot -126:sc= -0.516 USER MOD Single : A 127 THR OG1 : rot 36:sc= 0.261 USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 SER OG : rot 180:sc= 0 USER MOD Single : A 150 SER OG : rot 4:sc= -4! USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 157 GLN : amide:sc= 0.355 K(o=0.35,f=-0.38) 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+ -144:sc= -0.195 (180deg=-1.64!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 98 76.881 -6.891 3.249 1.00 0.00 N ATOM 2 CA LYS A 98 76.677 -5.824 2.227 1.00 0.00 C ATOM 3 C LYS A 98 75.340 -6.021 1.507 1.00 0.00 C ATOM 4 O LYS A 98 74.981 -7.119 1.128 1.00 0.00 O ATOM 5 CB LYS A 98 77.837 -5.989 1.244 1.00 0.00 C ATOM 6 CG LYS A 98 79.150 -6.127 2.016 1.00 0.00 C ATOM 7 CD LYS A 98 80.316 -5.721 1.111 1.00 0.00 C ATOM 8 CE LYS A 98 81.630 -5.827 1.889 1.00 0.00 C ATOM 9 NZ LYS A 98 82.435 -6.834 1.143 1.00 0.00 N ATOM 0 HA LYS A 98 76.654 -4.830 2.674 1.00 0.00 H new ATOM 0 HB2 LYS A 98 77.676 -6.869 0.621 1.00 0.00 H new ATOM 0 HB3 LYS A 98 77.885 -5.129 0.576 1.00 0.00 H new ATOM 0 HG2 LYS A 98 79.129 -5.498 2.906 1.00 0.00 H new ATOM 0 HG3 LYS A 98 79.279 -7.155 2.355 1.00 0.00 H new ATOM 0 HD2 LYS A 98 80.349 -6.365 0.232 1.00 0.00 H new ATOM 0 HD3 LYS A 98 80.174 -4.701 0.754 1.00 0.00 H new ATOM 0 HE2 LYS A 98 82.142 -4.866 1.933 1.00 0.00 H new ATOM 0 HE3 LYS A 98 81.456 -6.143 2.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 83.353 -6.963 1.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 81.925 -7.740 1.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 82.590 -6.503 0.169 1.00 0.00 H new ATOM 23 N MET A 99 74.604 -4.963 1.308 1.00 0.00 N ATOM 24 CA MET A 99 73.294 -5.080 0.604 1.00 0.00 C ATOM 25 C MET A 99 73.116 -3.911 -0.367 1.00 0.00 C ATOM 26 O MET A 99 73.877 -2.964 -0.358 1.00 0.00 O ATOM 27 CB MET A 99 72.219 -5.037 1.698 1.00 0.00 C ATOM 28 CG MET A 99 72.662 -4.123 2.843 1.00 0.00 C ATOM 29 SD MET A 99 71.338 -4.021 4.070 1.00 0.00 S ATOM 30 CE MET A 99 70.200 -3.016 3.085 1.00 0.00 C ATOM 0 H MET A 99 74.853 -4.019 1.603 1.00 0.00 H new ATOM 0 HA MET A 99 73.229 -6.000 0.023 1.00 0.00 H new ATOM 0 HB2 MET A 99 71.279 -4.677 1.280 1.00 0.00 H new ATOM 0 HB3 MET A 99 72.035 -6.043 2.077 1.00 0.00 H new ATOM 0 HG2 MET A 99 73.571 -4.511 3.303 1.00 0.00 H new ATOM 0 HG3 MET A 99 72.897 -3.130 2.461 1.00 0.00 H new ATOM 0 HE1 MET A 99 69.182 -3.159 3.447 1.00 0.00 H new ATOM 0 HE2 MET A 99 70.473 -1.964 3.174 1.00 0.00 H new ATOM 0 HE3 MET A 99 70.259 -3.319 2.040 1.00 0.00 H new ATOM 40 N PHE A 100 72.123 -3.973 -1.210 1.00 0.00 N ATOM 41 CA PHE A 100 71.905 -2.868 -2.187 1.00 0.00 C ATOM 42 C PHE A 100 70.608 -2.119 -1.872 1.00 0.00 C ATOM 43 O PHE A 100 69.600 -2.715 -1.550 1.00 0.00 O ATOM 44 CB PHE A 100 71.807 -3.568 -3.543 1.00 0.00 C ATOM 45 CG PHE A 100 71.882 -2.552 -4.661 1.00 0.00 C ATOM 46 CD1 PHE A 100 70.913 -1.546 -4.769 1.00 0.00 C ATOM 47 CD2 PHE A 100 72.921 -2.625 -5.597 1.00 0.00 C ATOM 48 CE1 PHE A 100 70.986 -0.614 -5.812 1.00 0.00 C ATOM 49 CE2 PHE A 100 72.992 -1.693 -6.638 1.00 0.00 C ATOM 50 CZ PHE A 100 72.025 -0.688 -6.745 1.00 0.00 C ATOM 0 H PHE A 100 71.453 -4.740 -1.265 1.00 0.00 H new ATOM 0 HA PHE A 100 72.704 -2.127 -2.160 1.00 0.00 H new ATOM 0 HB2 PHE A 100 72.615 -4.293 -3.646 1.00 0.00 H new ATOM 0 HB3 PHE A 100 70.871 -4.122 -3.608 1.00 0.00 H new ATOM 0 HD1 PHE A 100 70.110 -1.489 -4.049 1.00 0.00 H new ATOM 0 HD2 PHE A 100 73.668 -3.401 -5.515 1.00 0.00 H new ATOM 0 HE1 PHE A 100 70.240 0.162 -5.896 1.00 0.00 H new ATOM 0 HE2 PHE A 100 73.794 -1.750 -7.359 1.00 0.00 H new ATOM 0 HZ PHE A 100 72.081 0.031 -7.549 1.00 0.00 H new ATOM 60 N ILE A 101 70.627 -0.817 -1.970 1.00 0.00 N ATOM 61 CA ILE A 101 69.391 -0.026 -1.684 1.00 0.00 C ATOM 62 C ILE A 101 69.013 0.807 -2.910 1.00 0.00 C ATOM 63 O ILE A 101 69.695 1.748 -3.267 1.00 0.00 O ATOM 64 CB ILE A 101 69.739 0.895 -0.506 1.00 0.00 C ATOM 65 CG1 ILE A 101 70.744 0.213 0.427 1.00 0.00 C ATOM 66 CG2 ILE A 101 68.465 1.210 0.278 1.00 0.00 C ATOM 67 CD1 ILE A 101 70.199 -1.150 0.857 1.00 0.00 C ATOM 0 H ILE A 101 71.443 -0.266 -2.235 1.00 0.00 H new ATOM 0 HA ILE A 101 68.545 -0.672 -1.447 1.00 0.00 H new ATOM 0 HB ILE A 101 70.181 1.813 -0.894 1.00 0.00 H new ATOM 0 HG12 ILE A 101 71.701 0.090 -0.080 1.00 0.00 H new ATOM 0 HG13 ILE A 101 70.925 0.837 1.302 1.00 0.00 H new ATOM 0 HG21 ILE A 101 68.706 1.864 1.116 1.00 0.00 H new ATOM 0 HG22 ILE A 101 67.749 1.707 -0.376 1.00 0.00 H new ATOM 0 HG23 ILE A 101 68.031 0.284 0.654 1.00 0.00 H new ATOM 0 HD11 ILE A 101 70.915 -1.635 1.521 1.00 0.00 H new ATOM 0 HD12 ILE A 101 69.252 -1.015 1.380 1.00 0.00 H new ATOM 0 HD13 ILE A 101 70.041 -1.773 -0.023 1.00 0.00 H new ATOM 79 N GLY A 102 67.933 0.469 -3.558 1.00 0.00 N ATOM 80 CA GLY A 102 67.522 1.247 -4.761 1.00 0.00 C ATOM 81 C GLY A 102 66.278 2.078 -4.436 1.00 0.00 C ATOM 82 O GLY A 102 65.263 1.557 -4.016 1.00 0.00 O ATOM 0 H GLY A 102 67.320 -0.307 -3.309 1.00 0.00 H new ATOM 0 HA2 GLY A 102 68.335 1.900 -5.079 1.00 0.00 H new ATOM 0 HA3 GLY A 102 67.313 0.571 -5.590 1.00 0.00 H new ATOM 86 N GLY A 103 66.347 3.368 -4.631 1.00 0.00 N ATOM 87 CA GLY A 103 65.166 4.231 -4.338 1.00 0.00 C ATOM 88 C GLY A 103 65.615 5.530 -3.656 1.00 0.00 C ATOM 89 O GLY A 103 64.917 6.073 -2.823 1.00 0.00 O ATOM 0 H GLY A 103 67.169 3.861 -4.980 1.00 0.00 H new ATOM 0 HA2 GLY A 103 64.636 4.461 -5.262 1.00 0.00 H new ATOM 0 HA3 GLY A 103 64.467 3.697 -3.695 1.00 0.00 H new ATOM 93 N LEU A 104 66.771 6.033 -4.001 1.00 0.00 N ATOM 94 CA LEU A 104 67.251 7.299 -3.369 1.00 0.00 C ATOM 95 C LEU A 104 66.792 8.510 -4.188 1.00 0.00 C ATOM 96 O LEU A 104 66.468 8.396 -5.354 1.00 0.00 O ATOM 97 CB LEU A 104 68.778 7.190 -3.370 1.00 0.00 C ATOM 98 CG LEU A 104 69.247 6.677 -2.009 1.00 0.00 C ATOM 99 CD1 LEU A 104 69.203 5.148 -2.000 1.00 0.00 C ATOM 100 CD2 LEU A 104 70.681 7.148 -1.748 1.00 0.00 C ATOM 0 H LEU A 104 67.402 5.624 -4.690 1.00 0.00 H new ATOM 0 HA LEU A 104 66.855 7.434 -2.362 1.00 0.00 H new ATOM 0 HB2 LEU A 104 69.106 6.513 -4.159 1.00 0.00 H new ATOM 0 HB3 LEU A 104 69.224 8.163 -3.579 1.00 0.00 H new ATOM 0 HG LEU A 104 68.592 7.066 -1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 104 69.537 4.780 -1.030 1.00 0.00 H new ATOM 0 HD12 LEU A 104 68.182 4.812 -2.183 1.00 0.00 H new ATOM 0 HD13 LEU A 104 69.858 4.761 -2.780 1.00 0.00 H new ATOM 0 HD21 LEU A 104 71.013 6.781 -0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 104 71.338 6.761 -2.527 1.00 0.00 H new ATOM 0 HD23 LEU A 104 70.713 8.238 -1.754 1.00 0.00 H new ATOM 112 N SER A 105 66.760 9.669 -3.587 1.00 0.00 N ATOM 113 CA SER A 105 66.320 10.889 -4.329 1.00 0.00 C ATOM 114 C SER A 105 67.493 11.486 -5.115 1.00 0.00 C ATOM 115 O SER A 105 68.544 10.887 -5.231 1.00 0.00 O ATOM 116 CB SER A 105 65.846 11.860 -3.249 1.00 0.00 C ATOM 117 OG SER A 105 65.538 13.113 -3.845 1.00 0.00 O ATOM 0 H SER A 105 67.020 9.825 -2.613 1.00 0.00 H new ATOM 0 HA SER A 105 65.535 10.671 -5.053 1.00 0.00 H new ATOM 0 HB2 SER A 105 64.967 11.459 -2.744 1.00 0.00 H new ATOM 0 HB3 SER A 105 66.620 11.985 -2.492 1.00 0.00 H new ATOM 0 HG SER A 105 65.232 13.737 -3.154 1.00 0.00 H new ATOM 123 N TRP A 106 67.320 12.662 -5.659 1.00 0.00 N ATOM 124 CA TRP A 106 68.427 13.292 -6.439 1.00 0.00 C ATOM 125 C TRP A 106 69.344 14.092 -5.510 1.00 0.00 C ATOM 126 O TRP A 106 70.271 14.745 -5.949 1.00 0.00 O ATOM 127 CB TRP A 106 67.736 14.223 -7.439 1.00 0.00 C ATOM 128 CG TRP A 106 67.183 13.423 -8.575 1.00 0.00 C ATOM 129 CD1 TRP A 106 67.675 12.239 -9.004 1.00 0.00 C ATOM 130 CD2 TRP A 106 66.046 13.729 -9.433 1.00 0.00 C ATOM 131 NE1 TRP A 106 66.911 11.797 -10.070 1.00 0.00 N ATOM 132 CE2 TRP A 106 65.894 12.682 -10.372 1.00 0.00 C ATOM 133 CE3 TRP A 106 65.138 14.804 -9.487 1.00 0.00 C ATOM 134 CZ2 TRP A 106 64.879 12.700 -11.331 1.00 0.00 C ATOM 135 CZ3 TRP A 106 64.116 14.825 -10.450 1.00 0.00 C ATOM 136 CH2 TRP A 106 63.987 13.775 -11.370 1.00 0.00 C ATOM 0 H TRP A 106 66.463 13.212 -5.598 1.00 0.00 H new ATOM 0 HA TRP A 106 69.049 12.549 -6.938 1.00 0.00 H new ATOM 0 HB2 TRP A 106 66.935 14.773 -6.945 1.00 0.00 H new ATOM 0 HB3 TRP A 106 68.445 14.961 -7.813 1.00 0.00 H new ATOM 0 HD1 TRP A 106 68.525 11.723 -8.584 1.00 0.00 H new ATOM 0 HE1 TRP A 106 67.078 10.925 -10.571 1.00 0.00 H new ATOM 0 HE3 TRP A 106 65.228 15.618 -8.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 64.784 11.889 -12.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 63.425 15.655 -10.482 1.00 0.00 H new ATOM 0 HH2 TRP A 106 63.199 13.797 -12.108 1.00 0.00 H new ATOM 147 N ASP A 107 69.097 14.045 -4.231 1.00 0.00 N ATOM 148 CA ASP A 107 69.959 14.800 -3.277 1.00 0.00 C ATOM 149 C ASP A 107 70.251 13.946 -2.041 1.00 0.00 C ATOM 150 O ASP A 107 70.560 14.456 -0.982 1.00 0.00 O ATOM 151 CB ASP A 107 69.145 16.037 -2.895 1.00 0.00 C ATOM 152 CG ASP A 107 69.682 17.256 -3.647 1.00 0.00 C ATOM 153 OD1 ASP A 107 70.868 17.276 -3.929 1.00 0.00 O ATOM 154 OD2 ASP A 107 68.898 18.148 -3.927 1.00 0.00 O ATOM 0 H ASP A 107 68.336 13.517 -3.804 1.00 0.00 H new ATOM 0 HA ASP A 107 70.921 15.067 -3.714 1.00 0.00 H new ATOM 0 HB2 ASP A 107 68.094 15.882 -3.137 1.00 0.00 H new ATOM 0 HB3 ASP A 107 69.203 16.206 -1.820 1.00 0.00 H new ATOM 159 N THR A 108 70.154 12.650 -2.164 1.00 0.00 N ATOM 160 CA THR A 108 70.429 11.771 -0.990 1.00 0.00 C ATOM 161 C THR A 108 71.914 11.832 -0.625 1.00 0.00 C ATOM 162 O THR A 108 72.738 12.268 -1.406 1.00 0.00 O ATOM 163 CB THR A 108 70.038 10.361 -1.439 1.00 0.00 C ATOM 164 OG1 THR A 108 68.853 10.426 -2.220 1.00 0.00 O ATOM 165 CG2 THR A 108 69.793 9.484 -0.210 1.00 0.00 C ATOM 0 H THR A 108 69.897 12.163 -3.023 1.00 0.00 H new ATOM 0 HA THR A 108 69.871 12.078 -0.105 1.00 0.00 H new ATOM 0 HB THR A 108 70.843 9.932 -2.035 1.00 0.00 H new ATOM 0 HG1 THR A 108 69.088 10.427 -3.171 1.00 0.00 H new ATOM 0 HG21 THR A 108 69.514 8.480 -0.529 1.00 0.00 H new ATOM 0 HG22 THR A 108 70.702 9.435 0.389 1.00 0.00 H new ATOM 0 HG23 THR A 108 68.987 9.911 0.387 1.00 0.00 H new ATOM 173 N THR A 109 72.264 11.400 0.556 1.00 0.00 N ATOM 174 CA THR A 109 73.695 11.434 0.973 1.00 0.00 C ATOM 175 C THR A 109 73.995 10.274 1.924 1.00 0.00 C ATOM 176 O THR A 109 73.122 9.786 2.614 1.00 0.00 O ATOM 177 CB THR A 109 73.867 12.772 1.695 1.00 0.00 C ATOM 178 OG1 THR A 109 73.174 12.728 2.936 1.00 0.00 O ATOM 179 CG2 THR A 109 73.299 13.897 0.832 1.00 0.00 C ATOM 0 H THR A 109 71.619 11.024 1.251 1.00 0.00 H new ATOM 0 HA THR A 109 74.373 11.337 0.125 1.00 0.00 H new ATOM 0 HB THR A 109 74.926 12.956 1.874 1.00 0.00 H new ATOM 0 HG1 THR A 109 72.219 12.887 2.783 1.00 0.00 H new ATOM 0 HG21 THR A 109 73.422 14.849 1.348 1.00 0.00 H new ATOM 0 HG22 THR A 109 73.829 13.929 -0.120 1.00 0.00 H new ATOM 0 HG23 THR A 109 72.239 13.717 0.651 1.00 0.00 H new ATOM 187 N LYS A 110 75.221 9.834 1.974 1.00 0.00 N ATOM 188 CA LYS A 110 75.567 8.713 2.890 1.00 0.00 C ATOM 189 C LYS A 110 75.222 9.098 4.332 1.00 0.00 C ATOM 190 O LYS A 110 75.156 8.261 5.206 1.00 0.00 O ATOM 191 CB LYS A 110 77.076 8.511 2.726 1.00 0.00 C ATOM 192 CG LYS A 110 77.623 7.718 3.915 1.00 0.00 C ATOM 193 CD LYS A 110 79.146 7.619 3.806 1.00 0.00 C ATOM 194 CE LYS A 110 79.788 8.831 4.484 1.00 0.00 C ATOM 195 NZ LYS A 110 81.063 9.053 3.747 1.00 0.00 N ATOM 0 H LYS A 110 75.996 10.201 1.422 1.00 0.00 H new ATOM 0 HA LYS A 110 75.015 7.801 2.661 1.00 0.00 H new ATOM 0 HB2 LYS A 110 77.283 7.980 1.797 1.00 0.00 H new ATOM 0 HB3 LYS A 110 77.577 9.477 2.660 1.00 0.00 H new ATOM 0 HG2 LYS A 110 77.346 8.206 4.849 1.00 0.00 H new ATOM 0 HG3 LYS A 110 77.184 6.721 3.934 1.00 0.00 H new ATOM 0 HD2 LYS A 110 79.495 6.699 4.275 1.00 0.00 H new ATOM 0 HD3 LYS A 110 79.444 7.575 2.758 1.00 0.00 H new ATOM 0 HE2 LYS A 110 79.140 9.706 4.425 1.00 0.00 H new ATOM 0 HE3 LYS A 110 79.971 8.641 5.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 81.562 9.870 4.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 81.662 8.206 3.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 80.857 9.238 2.745 1.00 0.00 H new ATOM 209 N LYS A 111 75.001 10.359 4.585 1.00 0.00 N ATOM 210 CA LYS A 111 74.658 10.794 5.970 1.00 0.00 C ATOM 211 C LYS A 111 73.202 10.446 6.290 1.00 0.00 C ATOM 212 O LYS A 111 72.912 9.790 7.272 1.00 0.00 O ATOM 213 CB LYS A 111 74.857 12.310 5.972 1.00 0.00 C ATOM 214 CG LYS A 111 76.327 12.632 6.247 1.00 0.00 C ATOM 215 CD LYS A 111 76.443 13.435 7.544 1.00 0.00 C ATOM 216 CE LYS A 111 76.937 14.848 7.227 1.00 0.00 C ATOM 217 NZ LYS A 111 75.758 15.545 6.642 1.00 0.00 N ATOM 0 H LYS A 111 75.043 11.107 3.893 1.00 0.00 H new ATOM 0 HA LYS A 111 75.276 10.300 6.720 1.00 0.00 H new ATOM 0 HB2 LYS A 111 74.556 12.728 5.012 1.00 0.00 H new ATOM 0 HB3 LYS A 111 74.225 12.769 6.732 1.00 0.00 H new ATOM 0 HG2 LYS A 111 76.903 11.710 6.326 1.00 0.00 H new ATOM 0 HG3 LYS A 111 76.747 13.200 5.417 1.00 0.00 H new ATOM 0 HD2 LYS A 111 75.475 13.480 8.044 1.00 0.00 H new ATOM 0 HD3 LYS A 111 77.133 12.942 8.229 1.00 0.00 H new ATOM 0 HE2 LYS A 111 77.289 15.354 8.126 1.00 0.00 H new ATOM 0 HE3 LYS A 111 77.771 14.827 6.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 75.960 15.799 5.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 74.931 14.916 6.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 75.559 16.408 7.188 1.00 0.00 H new ATOM 231 N ASP A 112 72.283 10.884 5.473 1.00 0.00 N ATOM 232 CA ASP A 112 70.846 10.583 5.737 1.00 0.00 C ATOM 233 C ASP A 112 70.557 9.096 5.510 1.00 0.00 C ATOM 234 O ASP A 112 69.693 8.522 6.143 1.00 0.00 O ATOM 235 CB ASP A 112 70.066 11.445 4.742 1.00 0.00 C ATOM 236 CG ASP A 112 70.624 11.244 3.331 1.00 0.00 C ATOM 237 OD1 ASP A 112 70.751 10.102 2.920 1.00 0.00 O ATOM 238 OD2 ASP A 112 70.911 12.236 2.683 1.00 0.00 O ATOM 0 H ASP A 112 72.464 11.437 4.635 1.00 0.00 H new ATOM 0 HA ASP A 112 70.566 10.800 6.768 1.00 0.00 H new ATOM 0 HB2 ASP A 112 69.009 11.178 4.766 1.00 0.00 H new ATOM 0 HB3 ASP A 112 70.136 12.496 5.024 1.00 0.00 H new ATOM 243 N LEU A 113 71.271 8.464 4.618 1.00 0.00 N ATOM 244 CA LEU A 113 71.026 7.014 4.366 1.00 0.00 C ATOM 245 C LEU A 113 71.732 6.171 5.431 1.00 0.00 C ATOM 246 O LEU A 113 71.146 5.289 6.026 1.00 0.00 O ATOM 247 CB LEU A 113 71.618 6.737 2.982 1.00 0.00 C ATOM 248 CG LEU A 113 71.026 5.442 2.422 1.00 0.00 C ATOM 249 CD1 LEU A 113 69.535 5.639 2.144 1.00 0.00 C ATOM 250 CD2 LEU A 113 71.742 5.080 1.119 1.00 0.00 C ATOM 0 H LEU A 113 72.010 8.886 4.055 1.00 0.00 H new ATOM 0 HA LEU A 113 69.966 6.763 4.407 1.00 0.00 H new ATOM 0 HB2 LEU A 113 71.403 7.568 2.310 1.00 0.00 H new ATOM 0 HB3 LEU A 113 72.703 6.654 3.049 1.00 0.00 H new ATOM 0 HG LEU A 113 71.157 4.639 3.147 1.00 0.00 H new ATOM 0 HD11 LEU A 113 69.114 4.716 1.745 1.00 0.00 H new ATOM 0 HD12 LEU A 113 69.024 5.900 3.070 1.00 0.00 H new ATOM 0 HD13 LEU A 113 69.403 6.441 1.418 1.00 0.00 H new ATOM 0 HD21 LEU A 113 71.322 4.158 0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 113 71.609 5.884 0.395 1.00 0.00 H new ATOM 0 HD23 LEU A 113 72.805 4.940 1.315 1.00 0.00 H new ATOM 262 N LYS A 114 72.986 6.437 5.681 1.00 0.00 N ATOM 263 CA LYS A 114 73.718 5.649 6.714 1.00 0.00 C ATOM 264 C LYS A 114 72.961 5.710 8.042 1.00 0.00 C ATOM 265 O LYS A 114 72.921 4.752 8.786 1.00 0.00 O ATOM 266 CB LYS A 114 75.084 6.321 6.844 1.00 0.00 C ATOM 267 CG LYS A 114 75.899 5.618 7.932 1.00 0.00 C ATOM 268 CD LYS A 114 76.555 6.665 8.835 1.00 0.00 C ATOM 269 CE LYS A 114 78.046 6.350 8.981 1.00 0.00 C ATOM 270 NZ LYS A 114 78.666 7.626 9.435 1.00 0.00 N ATOM 0 H LYS A 114 73.533 7.162 5.217 1.00 0.00 H new ATOM 0 HA LYS A 114 73.814 4.598 6.442 1.00 0.00 H new ATOM 0 HB2 LYS A 114 75.614 6.277 5.893 1.00 0.00 H new ATOM 0 HB3 LYS A 114 74.960 7.375 7.092 1.00 0.00 H new ATOM 0 HG2 LYS A 114 75.253 4.967 8.522 1.00 0.00 H new ATOM 0 HG3 LYS A 114 76.661 4.985 7.478 1.00 0.00 H new ATOM 0 HD2 LYS A 114 76.422 7.661 8.411 1.00 0.00 H new ATOM 0 HD3 LYS A 114 76.075 6.669 9.814 1.00 0.00 H new ATOM 0 HE2 LYS A 114 78.212 5.551 9.704 1.00 0.00 H new ATOM 0 HE3 LYS A 114 78.474 6.018 8.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 79.690 7.490 9.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 78.498 8.366 8.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 78.244 7.914 10.341 1.00 0.00 H new ATOM 284 N ASP A 115 72.356 6.828 8.344 1.00 0.00 N ATOM 285 CA ASP A 115 71.600 6.937 9.623 1.00 0.00 C ATOM 286 C ASP A 115 70.238 6.276 9.473 1.00 0.00 C ATOM 287 O ASP A 115 69.842 5.475 10.298 1.00 0.00 O ATOM 288 CB ASP A 115 71.457 8.436 9.894 1.00 0.00 C ATOM 289 CG ASP A 115 72.816 9.017 10.288 1.00 0.00 C ATOM 290 OD1 ASP A 115 73.819 8.469 9.863 1.00 0.00 O ATOM 291 OD2 ASP A 115 72.830 10.002 11.009 1.00 0.00 O ATOM 0 H ASP A 115 72.353 7.666 7.763 1.00 0.00 H new ATOM 0 HA ASP A 115 72.109 6.438 10.448 1.00 0.00 H new ATOM 0 HB2 ASP A 115 71.077 8.942 9.006 1.00 0.00 H new ATOM 0 HB3 ASP A 115 70.733 8.604 10.691 1.00 0.00 H new ATOM 296 N TYR A 116 69.524 6.565 8.423 1.00 0.00 N ATOM 297 CA TYR A 116 68.212 5.893 8.250 1.00 0.00 C ATOM 298 C TYR A 116 68.415 4.400 8.473 1.00 0.00 C ATOM 299 O TYR A 116 67.579 3.715 9.029 1.00 0.00 O ATOM 300 CB TYR A 116 67.803 6.144 6.805 1.00 0.00 C ATOM 301 CG TYR A 116 66.547 5.360 6.524 1.00 0.00 C ATOM 302 CD1 TYR A 116 65.305 5.906 6.856 1.00 0.00 C ATOM 303 CD2 TYR A 116 66.622 4.091 5.940 1.00 0.00 C ATOM 304 CE1 TYR A 116 64.132 5.185 6.602 1.00 0.00 C ATOM 305 CE2 TYR A 116 65.451 3.368 5.684 1.00 0.00 C ATOM 306 CZ TYR A 116 64.205 3.915 6.014 1.00 0.00 C ATOM 307 OH TYR A 116 63.049 3.205 5.762 1.00 0.00 O ATOM 0 H TYR A 116 69.786 7.225 7.691 1.00 0.00 H new ATOM 0 HA TYR A 116 67.455 6.260 8.944 1.00 0.00 H new ATOM 0 HB2 TYR A 116 67.632 7.207 6.638 1.00 0.00 H new ATOM 0 HB3 TYR A 116 68.600 5.840 6.127 1.00 0.00 H new ATOM 0 HD1 TYR A 116 65.249 6.885 7.309 1.00 0.00 H new ATOM 0 HD2 TYR A 116 67.583 3.669 5.687 1.00 0.00 H new ATOM 0 HE1 TYR A 116 63.172 5.607 6.859 1.00 0.00 H new ATOM 0 HE2 TYR A 116 65.509 2.389 5.232 1.00 0.00 H new ATOM 0 HH TYR A 116 62.273 3.729 6.052 1.00 0.00 H new ATOM 317 N PHE A 117 69.539 3.894 8.035 1.00 0.00 N ATOM 318 CA PHE A 117 69.821 2.449 8.210 1.00 0.00 C ATOM 319 C PHE A 117 70.573 2.193 9.517 1.00 0.00 C ATOM 320 O PHE A 117 70.692 1.072 9.968 1.00 0.00 O ATOM 321 CB PHE A 117 70.641 2.048 6.984 1.00 0.00 C ATOM 322 CG PHE A 117 69.689 1.808 5.837 1.00 0.00 C ATOM 323 CD1 PHE A 117 68.632 0.903 5.996 1.00 0.00 C ATOM 324 CD2 PHE A 117 69.851 2.492 4.624 1.00 0.00 C ATOM 325 CE1 PHE A 117 67.736 0.680 4.945 1.00 0.00 C ATOM 326 CE2 PHE A 117 68.954 2.265 3.570 1.00 0.00 C ATOM 327 CZ PHE A 117 67.897 1.359 3.732 1.00 0.00 C ATOM 0 H PHE A 117 70.271 4.425 7.564 1.00 0.00 H new ATOM 0 HA PHE A 117 68.909 1.856 8.281 1.00 0.00 H new ATOM 0 HB2 PHE A 117 71.353 2.833 6.729 1.00 0.00 H new ATOM 0 HB3 PHE A 117 71.220 1.148 7.192 1.00 0.00 H new ATOM 0 HD1 PHE A 117 68.508 0.377 6.931 1.00 0.00 H new ATOM 0 HD2 PHE A 117 70.664 3.192 4.502 1.00 0.00 H new ATOM 0 HE1 PHE A 117 66.920 -0.016 5.070 1.00 0.00 H new ATOM 0 HE2 PHE A 117 69.078 2.788 2.633 1.00 0.00 H new ATOM 0 HZ PHE A 117 67.206 1.185 2.920 1.00 0.00 H new ATOM 337 N SER A 118 71.056 3.221 10.148 1.00 0.00 N ATOM 338 CA SER A 118 71.762 3.024 11.443 1.00 0.00 C ATOM 339 C SER A 118 70.734 2.642 12.513 1.00 0.00 C ATOM 340 O SER A 118 71.073 2.312 13.632 1.00 0.00 O ATOM 341 CB SER A 118 72.402 4.374 11.764 1.00 0.00 C ATOM 342 OG SER A 118 72.955 4.332 13.072 1.00 0.00 O ATOM 0 H SER A 118 70.994 4.187 9.826 1.00 0.00 H new ATOM 0 HA SER A 118 72.511 2.233 11.404 1.00 0.00 H new ATOM 0 HB2 SER A 118 73.179 4.603 11.035 1.00 0.00 H new ATOM 0 HB3 SER A 118 71.658 5.168 11.697 1.00 0.00 H new ATOM 0 HG SER A 118 72.538 3.605 13.580 1.00 0.00 H new ATOM 348 N LYS A 119 69.471 2.685 12.167 1.00 0.00 N ATOM 349 CA LYS A 119 68.404 2.326 13.142 1.00 0.00 C ATOM 350 C LYS A 119 68.212 0.807 13.174 1.00 0.00 C ATOM 351 O LYS A 119 67.620 0.266 14.087 1.00 0.00 O ATOM 352 CB LYS A 119 67.148 3.021 12.615 1.00 0.00 C ATOM 353 CG LYS A 119 65.919 2.488 13.349 1.00 0.00 C ATOM 354 CD LYS A 119 64.653 2.964 12.635 1.00 0.00 C ATOM 355 CE LYS A 119 63.549 1.917 12.797 1.00 0.00 C ATOM 356 NZ LYS A 119 62.365 2.682 13.279 1.00 0.00 N ATOM 0 H LYS A 119 69.135 2.956 11.243 1.00 0.00 H new ATOM 0 HA LYS A 119 68.644 2.634 14.160 1.00 0.00 H new ATOM 0 HB2 LYS A 119 67.230 4.099 12.758 1.00 0.00 H new ATOM 0 HB3 LYS A 119 67.047 2.848 11.544 1.00 0.00 H new ATOM 0 HG2 LYS A 119 65.944 1.399 13.380 1.00 0.00 H new ATOM 0 HG3 LYS A 119 65.920 2.836 14.382 1.00 0.00 H new ATOM 0 HD2 LYS A 119 64.327 3.918 13.049 1.00 0.00 H new ATOM 0 HD3 LYS A 119 64.860 3.129 11.578 1.00 0.00 H new ATOM 0 HE2 LYS A 119 63.338 1.416 11.852 1.00 0.00 H new ATOM 0 HE3 LYS A 119 63.838 1.145 13.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 61.564 2.033 13.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 62.594 3.143 14.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 62.109 3.405 12.577 1.00 0.00 H new ATOM 370 N PHE A 120 68.721 0.113 12.189 1.00 0.00 N ATOM 371 CA PHE A 120 68.579 -1.372 12.176 1.00 0.00 C ATOM 372 C PHE A 120 69.762 -1.995 12.919 1.00 0.00 C ATOM 373 O PHE A 120 69.621 -2.952 13.654 1.00 0.00 O ATOM 374 CB PHE A 120 68.625 -1.782 10.701 1.00 0.00 C ATOM 375 CG PHE A 120 67.542 -1.079 9.911 1.00 0.00 C ATOM 376 CD1 PHE A 120 67.768 0.201 9.395 1.00 0.00 C ATOM 377 CD2 PHE A 120 66.322 -1.722 9.671 1.00 0.00 C ATOM 378 CE1 PHE A 120 66.778 0.841 8.644 1.00 0.00 C ATOM 379 CE2 PHE A 120 65.331 -1.084 8.915 1.00 0.00 C ATOM 380 CZ PHE A 120 65.559 0.199 8.401 1.00 0.00 C ATOM 0 H PHE A 120 69.227 0.509 11.397 1.00 0.00 H new ATOM 0 HA PHE A 120 67.657 -1.701 12.657 1.00 0.00 H new ATOM 0 HB2 PHE A 120 69.602 -1.539 10.282 1.00 0.00 H new ATOM 0 HB3 PHE A 120 68.501 -2.861 10.615 1.00 0.00 H new ATOM 0 HD1 PHE A 120 68.710 0.696 9.577 1.00 0.00 H new ATOM 0 HD2 PHE A 120 66.145 -2.710 10.069 1.00 0.00 H new ATOM 0 HE1 PHE A 120 66.954 1.831 8.251 1.00 0.00 H new ATOM 0 HE2 PHE A 120 64.391 -1.581 8.728 1.00 0.00 H new ATOM 0 HZ PHE A 120 64.795 0.692 7.818 1.00 0.00 H new ATOM 390 N GLY A 121 70.929 -1.446 12.724 1.00 0.00 N ATOM 391 CA GLY A 121 72.141 -1.982 13.404 1.00 0.00 C ATOM 392 C GLY A 121 73.330 -1.064 13.109 1.00 0.00 C ATOM 393 O GLY A 121 73.215 -0.102 12.375 1.00 0.00 O ATOM 0 H GLY A 121 71.096 -0.643 12.118 1.00 0.00 H new ATOM 0 HA2 GLY A 121 71.972 -2.044 14.479 1.00 0.00 H new ATOM 0 HA3 GLY A 121 72.351 -2.993 13.055 1.00 0.00 H new ATOM 397 N GLU A 122 74.469 -1.349 13.677 1.00 0.00 N ATOM 398 CA GLU A 122 75.661 -0.485 13.429 1.00 0.00 C ATOM 399 C GLU A 122 76.213 -0.725 12.019 1.00 0.00 C ATOM 400 O GLU A 122 76.637 -1.811 11.688 1.00 0.00 O ATOM 401 CB GLU A 122 76.683 -0.914 14.482 1.00 0.00 C ATOM 402 CG GLU A 122 77.624 0.253 14.788 1.00 0.00 C ATOM 403 CD GLU A 122 79.050 -0.273 14.958 1.00 0.00 C ATOM 404 OE1 GLU A 122 79.745 -0.378 13.961 1.00 0.00 O ATOM 405 OE2 GLU A 122 79.425 -0.560 16.084 1.00 0.00 O ATOM 0 H GLU A 122 74.627 -2.140 14.301 1.00 0.00 H new ATOM 0 HA GLU A 122 75.421 0.576 13.497 1.00 0.00 H new ATOM 0 HB2 GLU A 122 76.172 -1.231 15.391 1.00 0.00 H new ATOM 0 HB3 GLU A 122 77.254 -1.770 14.122 1.00 0.00 H new ATOM 0 HG2 GLU A 122 77.589 0.984 13.980 1.00 0.00 H new ATOM 0 HG3 GLU A 122 77.303 0.765 15.695 1.00 0.00 H new ATOM 412 N VAL A 123 76.215 0.284 11.191 1.00 0.00 N ATOM 413 CA VAL A 123 76.746 0.115 9.806 1.00 0.00 C ATOM 414 C VAL A 123 78.218 0.499 9.725 1.00 0.00 C ATOM 415 O VAL A 123 78.624 1.565 10.144 1.00 0.00 O ATOM 416 CB VAL A 123 75.888 1.038 8.925 1.00 0.00 C ATOM 417 CG1 VAL A 123 76.721 1.621 7.774 1.00 0.00 C ATOM 418 CG2 VAL A 123 74.763 0.213 8.317 1.00 0.00 C ATOM 0 H VAL A 123 75.872 1.219 11.413 1.00 0.00 H new ATOM 0 HA VAL A 123 76.689 -0.924 9.481 1.00 0.00 H new ATOM 0 HB VAL A 123 75.503 1.852 9.539 1.00 0.00 H new ATOM 0 HG11 VAL A 123 76.094 2.271 7.164 1.00 0.00 H new ATOM 0 HG12 VAL A 123 77.552 2.197 8.182 1.00 0.00 H new ATOM 0 HG13 VAL A 123 77.109 0.810 7.159 1.00 0.00 H new ATOM 0 HG21 VAL A 123 74.143 0.851 7.688 1.00 0.00 H new ATOM 0 HG22 VAL A 123 75.186 -0.590 7.714 1.00 0.00 H new ATOM 0 HG23 VAL A 123 74.153 -0.214 9.113 1.00 0.00 H new ATOM 428 N VAL A 124 79.009 -0.352 9.145 1.00 0.00 N ATOM 429 CA VAL A 124 80.445 -0.031 8.980 1.00 0.00 C ATOM 430 C VAL A 124 80.615 0.675 7.641 1.00 0.00 C ATOM 431 O VAL A 124 81.564 1.400 7.423 1.00 0.00 O ATOM 432 CB VAL A 124 81.169 -1.384 8.981 1.00 0.00 C ATOM 433 CG1 VAL A 124 82.441 -1.306 8.126 1.00 0.00 C ATOM 434 CG2 VAL A 124 81.547 -1.752 10.418 1.00 0.00 C ATOM 0 H VAL A 124 78.721 -1.259 8.777 1.00 0.00 H new ATOM 0 HA VAL A 124 80.839 0.617 9.763 1.00 0.00 H new ATOM 0 HB VAL A 124 80.507 -2.143 8.563 1.00 0.00 H new ATOM 0 HG11 VAL A 124 82.945 -2.272 8.135 1.00 0.00 H new ATOM 0 HG12 VAL A 124 82.175 -1.045 7.102 1.00 0.00 H new ATOM 0 HG13 VAL A 124 83.107 -0.545 8.533 1.00 0.00 H new ATOM 0 HG21 VAL A 124 82.062 -2.713 10.424 1.00 0.00 H new ATOM 0 HG22 VAL A 124 82.204 -0.986 10.829 1.00 0.00 H new ATOM 0 HG23 VAL A 124 80.645 -1.820 11.026 1.00 0.00 H new ATOM 444 N ASP A 125 79.702 0.453 6.733 1.00 0.00 N ATOM 445 CA ASP A 125 79.835 1.102 5.407 1.00 0.00 C ATOM 446 C ASP A 125 78.479 1.536 4.839 1.00 0.00 C ATOM 447 O ASP A 125 77.446 0.967 5.132 1.00 0.00 O ATOM 448 CB ASP A 125 80.479 0.048 4.507 1.00 0.00 C ATOM 449 CG ASP A 125 81.980 0.323 4.389 1.00 0.00 C ATOM 450 OD1 ASP A 125 82.655 0.267 5.405 1.00 0.00 O ATOM 451 OD2 ASP A 125 82.431 0.583 3.285 1.00 0.00 O ATOM 0 H ASP A 125 78.882 -0.142 6.854 1.00 0.00 H new ATOM 0 HA ASP A 125 80.431 2.012 5.477 1.00 0.00 H new ATOM 0 HB2 ASP A 125 80.312 -0.947 4.919 1.00 0.00 H new ATOM 0 HB3 ASP A 125 80.017 0.066 3.520 1.00 0.00 H new ATOM 456 N CYS A 126 78.500 2.545 4.012 1.00 0.00 N ATOM 457 CA CYS A 126 77.254 3.059 3.373 1.00 0.00 C ATOM 458 C CYS A 126 77.652 3.891 2.162 1.00 0.00 C ATOM 459 O CYS A 126 78.686 4.529 2.157 1.00 0.00 O ATOM 460 CB CYS A 126 76.575 3.928 4.431 1.00 0.00 C ATOM 461 SG CYS A 126 75.006 4.556 3.780 1.00 0.00 S ATOM 0 H CYS A 126 79.348 3.046 3.746 1.00 0.00 H new ATOM 0 HA CYS A 126 76.584 2.267 3.039 1.00 0.00 H new ATOM 0 HB2 CYS A 126 76.399 3.347 5.336 1.00 0.00 H new ATOM 0 HB3 CYS A 126 77.225 4.758 4.707 1.00 0.00 H new ATOM 0 HG CYS A 126 74.978 5.851 3.891 1.00 0.00 H new ATOM 467 N THR A 127 76.875 3.871 1.122 1.00 0.00 N ATOM 468 CA THR A 127 77.273 4.645 -0.080 1.00 0.00 C ATOM 469 C THR A 127 76.049 5.128 -0.871 1.00 0.00 C ATOM 470 O THR A 127 74.980 4.554 -0.810 1.00 0.00 O ATOM 471 CB THR A 127 78.113 3.639 -0.882 1.00 0.00 C ATOM 472 OG1 THR A 127 79.491 3.883 -0.641 1.00 0.00 O ATOM 473 CG2 THR A 127 77.832 3.765 -2.377 1.00 0.00 C ATOM 0 H THR A 127 75.995 3.361 1.051 1.00 0.00 H new ATOM 0 HA THR A 127 77.821 5.556 0.160 1.00 0.00 H new ATOM 0 HB THR A 127 77.847 2.631 -0.563 1.00 0.00 H new ATOM 0 HG1 THR A 127 79.617 4.152 0.293 1.00 0.00 H new ATOM 0 HG21 THR A 127 78.438 3.043 -2.923 1.00 0.00 H new ATOM 0 HG22 THR A 127 76.777 3.570 -2.567 1.00 0.00 H new ATOM 0 HG23 THR A 127 78.080 4.773 -2.710 1.00 0.00 H new ATOM 481 N LEU A 128 76.227 6.168 -1.638 1.00 0.00 N ATOM 482 CA LEU A 128 75.114 6.697 -2.474 1.00 0.00 C ATOM 483 C LEU A 128 75.579 6.712 -3.933 1.00 0.00 C ATOM 484 O LEU A 128 76.439 7.481 -4.314 1.00 0.00 O ATOM 485 CB LEU A 128 74.838 8.116 -1.929 1.00 0.00 C ATOM 486 CG LEU A 128 74.694 9.142 -3.068 1.00 0.00 C ATOM 487 CD1 LEU A 128 73.621 8.684 -4.060 1.00 0.00 C ATOM 488 CD2 LEU A 128 74.289 10.494 -2.478 1.00 0.00 C ATOM 0 H LEU A 128 77.106 6.679 -1.722 1.00 0.00 H new ATOM 0 HA LEU A 128 74.204 6.099 -2.434 1.00 0.00 H new ATOM 0 HB2 LEU A 128 73.927 8.106 -1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 128 75.651 8.417 -1.268 1.00 0.00 H new ATOM 0 HG LEU A 128 75.647 9.231 -3.590 1.00 0.00 H new ATOM 0 HD11 LEU A 128 73.529 9.418 -4.861 1.00 0.00 H new ATOM 0 HD12 LEU A 128 73.904 7.720 -4.482 1.00 0.00 H new ATOM 0 HD13 LEU A 128 72.666 8.588 -3.544 1.00 0.00 H new ATOM 0 HD21 LEU A 128 74.186 11.225 -3.280 1.00 0.00 H new ATOM 0 HD22 LEU A 128 73.338 10.393 -1.955 1.00 0.00 H new ATOM 0 HD23 LEU A 128 75.054 10.829 -1.778 1.00 0.00 H new ATOM 673 N PHE A 140 70.335 5.816 -6.357 1.00 0.00 N ATOM 674 CA PHE A 140 70.443 4.560 -5.552 1.00 0.00 C ATOM 675 C PHE A 140 71.843 4.408 -4.962 1.00 0.00 C ATOM 676 O PHE A 140 72.787 4.992 -5.441 1.00 0.00 O ATOM 677 CB PHE A 140 70.113 3.421 -6.521 1.00 0.00 C ATOM 678 CG PHE A 140 71.300 3.110 -7.397 1.00 0.00 C ATOM 679 CD1 PHE A 140 72.314 2.265 -6.929 1.00 0.00 C ATOM 680 CD2 PHE A 140 71.377 3.652 -8.686 1.00 0.00 C ATOM 681 CE1 PHE A 140 73.408 1.965 -7.749 1.00 0.00 C ATOM 682 CE2 PHE A 140 72.469 3.350 -9.507 1.00 0.00 C ATOM 683 CZ PHE A 140 73.485 2.507 -9.040 1.00 0.00 C ATOM 0 HA PHE A 140 69.761 4.564 -4.702 1.00 0.00 H new ATOM 0 HB2 PHE A 140 69.824 2.532 -5.961 1.00 0.00 H new ATOM 0 HB3 PHE A 140 69.260 3.698 -7.140 1.00 0.00 H new ATOM 0 HD1 PHE A 140 72.252 1.845 -5.936 1.00 0.00 H new ATOM 0 HD2 PHE A 140 70.594 4.303 -9.046 1.00 0.00 H new ATOM 0 HE1 PHE A 140 74.192 1.316 -7.388 1.00 0.00 H new ATOM 0 HE2 PHE A 140 72.528 3.767 -10.501 1.00 0.00 H new ATOM 0 HZ PHE A 140 74.328 2.274 -9.674 1.00 0.00 H new ATOM 693 N GLY A 141 71.978 3.636 -3.914 1.00 0.00 N ATOM 694 CA GLY A 141 73.321 3.460 -3.286 1.00 0.00 C ATOM 695 C GLY A 141 73.387 2.114 -2.565 1.00 0.00 C ATOM 696 O GLY A 141 72.631 1.207 -2.852 1.00 0.00 O ATOM 0 H GLY A 141 71.219 3.122 -3.468 1.00 0.00 H new ATOM 0 HA2 GLY A 141 74.098 3.512 -4.049 1.00 0.00 H new ATOM 0 HA3 GLY A 141 73.511 4.269 -2.581 1.00 0.00 H new ATOM 700 N PHE A 142 74.298 1.969 -1.639 1.00 0.00 N ATOM 701 CA PHE A 142 74.420 0.671 -0.917 1.00 0.00 C ATOM 702 C PHE A 142 74.433 0.874 0.600 1.00 0.00 C ATOM 703 O PHE A 142 74.539 1.979 1.096 1.00 0.00 O ATOM 704 CB PHE A 142 75.763 0.094 -1.363 1.00 0.00 C ATOM 705 CG PHE A 142 75.657 -0.445 -2.764 1.00 0.00 C ATOM 706 CD1 PHE A 142 75.435 0.425 -3.838 1.00 0.00 C ATOM 707 CD2 PHE A 142 75.785 -1.820 -2.989 1.00 0.00 C ATOM 708 CE1 PHE A 142 75.340 -0.080 -5.138 1.00 0.00 C ATOM 709 CE2 PHE A 142 75.688 -2.326 -4.290 1.00 0.00 C ATOM 710 CZ PHE A 142 75.466 -1.454 -5.365 1.00 0.00 C ATOM 0 H PHE A 142 74.960 2.691 -1.353 1.00 0.00 H new ATOM 0 HA PHE A 142 73.578 0.016 -1.142 1.00 0.00 H new ATOM 0 HB2 PHE A 142 76.531 0.866 -1.320 1.00 0.00 H new ATOM 0 HB3 PHE A 142 76.070 -0.700 -0.682 1.00 0.00 H new ATOM 0 HD1 PHE A 142 75.337 1.486 -3.662 1.00 0.00 H new ATOM 0 HD2 PHE A 142 75.958 -2.490 -2.160 1.00 0.00 H new ATOM 0 HE1 PHE A 142 75.169 0.591 -5.967 1.00 0.00 H new ATOM 0 HE2 PHE A 142 75.784 -3.387 -4.466 1.00 0.00 H new ATOM 0 HZ PHE A 142 75.392 -1.844 -6.369 1.00 0.00 H new ATOM 720 N VAL A 143 74.351 -0.202 1.331 1.00 0.00 N ATOM 721 CA VAL A 143 74.383 -0.125 2.818 1.00 0.00 C ATOM 722 C VAL A 143 75.097 -1.361 3.352 1.00 0.00 C ATOM 723 O VAL A 143 74.803 -2.475 2.968 1.00 0.00 O ATOM 724 CB VAL A 143 72.916 -0.096 3.257 1.00 0.00 C ATOM 725 CG1 VAL A 143 72.805 -0.524 4.723 1.00 0.00 C ATOM 726 CG2 VAL A 143 72.375 1.327 3.101 1.00 0.00 C ATOM 0 H VAL A 143 74.262 -1.146 0.955 1.00 0.00 H new ATOM 0 HA VAL A 143 74.913 0.751 3.193 1.00 0.00 H new ATOM 0 HB VAL A 143 72.338 -0.782 2.639 1.00 0.00 H new ATOM 0 HG11 VAL A 143 71.759 -0.502 5.030 1.00 0.00 H new ATOM 0 HG12 VAL A 143 73.195 -1.535 4.837 1.00 0.00 H new ATOM 0 HG13 VAL A 143 73.381 0.160 5.346 1.00 0.00 H new ATOM 0 HG21 VAL A 143 71.331 1.355 3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 143 72.957 2.008 3.722 1.00 0.00 H new ATOM 0 HG23 VAL A 143 72.451 1.633 2.058 1.00 0.00 H new ATOM 736 N LEU A 144 76.050 -1.172 4.213 1.00 0.00 N ATOM 737 CA LEU A 144 76.805 -2.332 4.748 1.00 0.00 C ATOM 738 C LEU A 144 76.672 -2.397 6.270 1.00 0.00 C ATOM 739 O LEU A 144 77.298 -1.648 6.996 1.00 0.00 O ATOM 740 CB LEU A 144 78.241 -2.056 4.321 1.00 0.00 C ATOM 741 CG LEU A 144 78.513 -2.755 2.986 1.00 0.00 C ATOM 742 CD1 LEU A 144 77.704 -2.074 1.875 1.00 0.00 C ATOM 743 CD2 LEU A 144 80.005 -2.664 2.657 1.00 0.00 C ATOM 0 H LEU A 144 76.340 -0.262 4.571 1.00 0.00 H new ATOM 0 HA LEU A 144 76.443 -3.292 4.378 1.00 0.00 H new ATOM 0 HB2 LEU A 144 78.404 -0.983 4.223 1.00 0.00 H new ATOM 0 HB3 LEU A 144 78.934 -2.415 5.081 1.00 0.00 H new ATOM 0 HG LEU A 144 78.219 -3.802 3.060 1.00 0.00 H new ATOM 0 HD11 LEU A 144 77.899 -2.573 0.925 1.00 0.00 H new ATOM 0 HD12 LEU A 144 76.641 -2.138 2.107 1.00 0.00 H new ATOM 0 HD13 LEU A 144 77.997 -1.027 1.802 1.00 0.00 H new ATOM 0 HD21 LEU A 144 80.199 -3.161 1.707 1.00 0.00 H new ATOM 0 HD22 LEU A 144 80.298 -1.617 2.585 1.00 0.00 H new ATOM 0 HD23 LEU A 144 80.582 -3.149 3.445 1.00 0.00 H new ATOM 755 N PHE A 145 75.849 -3.285 6.752 1.00 0.00 N ATOM 756 CA PHE A 145 75.651 -3.404 8.222 1.00 0.00 C ATOM 757 C PHE A 145 76.850 -4.084 8.880 1.00 0.00 C ATOM 758 O PHE A 145 77.682 -4.681 8.225 1.00 0.00 O ATOM 759 CB PHE A 145 74.401 -4.265 8.372 1.00 0.00 C ATOM 760 CG PHE A 145 73.181 -3.395 8.216 1.00 0.00 C ATOM 761 CD1 PHE A 145 72.923 -2.383 9.149 1.00 0.00 C ATOM 762 CD2 PHE A 145 72.310 -3.594 7.140 1.00 0.00 C ATOM 763 CE1 PHE A 145 71.794 -1.571 9.003 1.00 0.00 C ATOM 764 CE2 PHE A 145 71.182 -2.783 6.994 1.00 0.00 C ATOM 765 CZ PHE A 145 70.922 -1.769 7.926 1.00 0.00 C ATOM 0 H PHE A 145 75.303 -3.936 6.188 1.00 0.00 H new ATOM 0 HA PHE A 145 75.548 -2.431 8.702 1.00 0.00 H new ATOM 0 HB2 PHE A 145 74.397 -5.056 7.622 1.00 0.00 H new ATOM 0 HB3 PHE A 145 74.394 -4.751 9.348 1.00 0.00 H new ATOM 0 HD1 PHE A 145 73.595 -2.230 9.980 1.00 0.00 H new ATOM 0 HD2 PHE A 145 72.510 -4.375 6.421 1.00 0.00 H new ATOM 0 HE1 PHE A 145 71.595 -0.790 9.722 1.00 0.00 H new ATOM 0 HE2 PHE A 145 70.510 -2.937 6.163 1.00 0.00 H new ATOM 0 HZ PHE A 145 70.050 -1.141 7.813 1.00 0.00 H new ATOM 775 N LYS A 146 76.946 -3.985 10.175 1.00 0.00 N ATOM 776 CA LYS A 146 78.093 -4.612 10.893 1.00 0.00 C ATOM 777 C LYS A 146 77.810 -6.088 11.204 1.00 0.00 C ATOM 778 O LYS A 146 78.721 -6.881 11.334 1.00 0.00 O ATOM 779 CB LYS A 146 78.239 -3.809 12.186 1.00 0.00 C ATOM 780 CG LYS A 146 79.365 -4.404 13.034 1.00 0.00 C ATOM 781 CD LYS A 146 79.176 -3.995 14.496 1.00 0.00 C ATOM 782 CE LYS A 146 78.310 -5.035 15.212 1.00 0.00 C ATOM 783 NZ LYS A 146 77.959 -4.420 16.525 1.00 0.00 N ATOM 0 H LYS A 146 76.278 -3.496 10.771 1.00 0.00 H new ATOM 0 HA LYS A 146 79.002 -4.595 10.292 1.00 0.00 H new ATOM 0 HB2 LYS A 146 78.455 -2.766 11.956 1.00 0.00 H new ATOM 0 HB3 LYS A 146 77.303 -3.825 12.744 1.00 0.00 H new ATOM 0 HG2 LYS A 146 79.365 -5.490 12.947 1.00 0.00 H new ATOM 0 HG3 LYS A 146 80.331 -4.055 12.670 1.00 0.00 H new ATOM 0 HD2 LYS A 146 80.145 -3.912 14.989 1.00 0.00 H new ATOM 0 HD3 LYS A 146 78.705 -3.014 14.552 1.00 0.00 H new ATOM 0 HE2 LYS A 146 77.415 -5.266 14.634 1.00 0.00 H new ATOM 0 HE3 LYS A 146 78.852 -5.971 15.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 77.366 -5.078 17.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 78.829 -4.218 17.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 77.437 -3.535 16.365 1.00 0.00 H new ATOM 797 N GLU A 147 76.564 -6.475 11.330 1.00 0.00 N ATOM 798 CA GLU A 147 76.273 -7.907 11.638 1.00 0.00 C ATOM 799 C GLU A 147 75.104 -8.418 10.791 1.00 0.00 C ATOM 800 O GLU A 147 74.145 -7.715 10.545 1.00 0.00 O ATOM 801 CB GLU A 147 75.916 -7.939 13.127 1.00 0.00 C ATOM 802 CG GLU A 147 75.030 -6.741 13.475 1.00 0.00 C ATOM 803 CD GLU A 147 73.890 -7.195 14.388 1.00 0.00 C ATOM 804 OE1 GLU A 147 74.118 -8.088 15.189 1.00 0.00 O ATOM 805 OE2 GLU A 147 72.809 -6.644 14.270 1.00 0.00 O ATOM 0 H GLU A 147 75.748 -5.871 11.234 1.00 0.00 H new ATOM 0 HA GLU A 147 77.124 -8.549 11.412 1.00 0.00 H new ATOM 0 HB2 GLU A 147 75.398 -8.868 13.366 1.00 0.00 H new ATOM 0 HB3 GLU A 147 76.825 -7.917 13.729 1.00 0.00 H new ATOM 0 HG2 GLU A 147 75.621 -5.970 13.970 1.00 0.00 H new ATOM 0 HG3 GLU A 147 74.626 -6.298 12.565 1.00 0.00 H new ATOM 812 N SER A 148 75.177 -9.642 10.344 1.00 0.00 N ATOM 813 CA SER A 148 74.071 -10.201 9.517 1.00 0.00 C ATOM 814 C SER A 148 72.729 -9.971 10.214 1.00 0.00 C ATOM 815 O SER A 148 71.706 -9.814 9.577 1.00 0.00 O ATOM 816 CB SER A 148 74.372 -11.695 9.409 1.00 0.00 C ATOM 817 OG SER A 148 75.572 -11.879 8.670 1.00 0.00 O ATOM 0 H SER A 148 75.955 -10.279 10.516 1.00 0.00 H new ATOM 0 HA SER A 148 74.006 -9.729 8.536 1.00 0.00 H new ATOM 0 HB2 SER A 148 74.473 -12.130 10.403 1.00 0.00 H new ATOM 0 HB3 SER A 148 73.546 -12.210 8.918 1.00 0.00 H new ATOM 0 HG SER A 148 75.770 -12.836 8.600 1.00 0.00 H new ATOM 823 N GLU A 149 72.725 -9.947 11.519 1.00 0.00 N ATOM 824 CA GLU A 149 71.448 -9.722 12.251 1.00 0.00 C ATOM 825 C GLU A 149 70.842 -8.376 11.847 1.00 0.00 C ATOM 826 O GLU A 149 69.672 -8.279 11.535 1.00 0.00 O ATOM 827 CB GLU A 149 71.832 -9.722 13.731 1.00 0.00 C ATOM 828 CG GLU A 149 71.502 -11.085 14.343 1.00 0.00 C ATOM 829 CD GLU A 149 69.999 -11.174 14.615 1.00 0.00 C ATOM 830 OE1 GLU A 149 69.266 -11.479 13.688 1.00 0.00 O ATOM 831 OE2 GLU A 149 69.606 -10.941 15.746 1.00 0.00 O ATOM 0 H GLU A 149 73.548 -10.073 12.108 1.00 0.00 H new ATOM 0 HA GLU A 149 70.702 -10.485 12.029 1.00 0.00 H new ATOM 0 HB2 GLU A 149 72.895 -9.509 13.842 1.00 0.00 H new ATOM 0 HB3 GLU A 149 71.293 -8.935 14.258 1.00 0.00 H new ATOM 0 HG2 GLU A 149 71.807 -11.883 13.666 1.00 0.00 H new ATOM 0 HG3 GLU A 149 72.059 -11.223 15.270 1.00 0.00 H new ATOM 838 N SER A 150 71.632 -7.335 11.846 1.00 0.00 N ATOM 839 CA SER A 150 71.098 -5.998 11.459 1.00 0.00 C ATOM 840 C SER A 150 70.618 -6.020 10.005 1.00 0.00 C ATOM 841 O SER A 150 69.675 -5.342 9.642 1.00 0.00 O ATOM 842 CB SER A 150 72.270 -5.026 11.632 1.00 0.00 C ATOM 843 OG SER A 150 73.443 -5.573 11.037 1.00 0.00 O ATOM 0 H SER A 150 72.621 -7.353 12.096 1.00 0.00 H new ATOM 0 HA SER A 150 70.243 -5.706 12.068 1.00 0.00 H new ATOM 0 HB2 SER A 150 72.031 -4.068 11.171 1.00 0.00 H new ATOM 0 HB3 SER A 150 72.443 -4.836 12.691 1.00 0.00 H new ATOM 0 HG SER A 150 73.222 -6.421 10.598 1.00 0.00 H new ATOM 849 N VAL A 151 71.251 -6.797 9.168 1.00 0.00 N ATOM 850 CA VAL A 151 70.819 -6.857 7.740 1.00 0.00 C ATOM 851 C VAL A 151 69.515 -7.647 7.618 1.00 0.00 C ATOM 852 O VAL A 151 68.532 -7.163 7.089 1.00 0.00 O ATOM 853 CB VAL A 151 71.950 -7.575 7.000 1.00 0.00 C ATOM 854 CG1 VAL A 151 71.846 -7.270 5.506 1.00 0.00 C ATOM 855 CG2 VAL A 151 73.302 -7.088 7.523 1.00 0.00 C ATOM 0 H VAL A 151 72.045 -7.391 9.409 1.00 0.00 H new ATOM 0 HA VAL A 151 70.635 -5.865 7.328 1.00 0.00 H new ATOM 0 HB VAL A 151 71.866 -8.649 7.165 1.00 0.00 H new ATOM 0 HG11 VAL A 151 72.650 -7.779 4.974 1.00 0.00 H new ATOM 0 HG12 VAL A 151 70.884 -7.618 5.130 1.00 0.00 H new ATOM 0 HG13 VAL A 151 71.930 -6.195 5.347 1.00 0.00 H new ATOM 0 HG21 VAL A 151 74.104 -7.602 6.993 1.00 0.00 H new ATOM 0 HG22 VAL A 151 73.390 -6.014 7.360 1.00 0.00 H new ATOM 0 HG23 VAL A 151 73.378 -7.300 8.589 1.00 0.00 H new ATOM 865 N ASP A 152 69.493 -8.858 8.104 1.00 0.00 N ATOM 866 CA ASP A 152 68.245 -9.663 8.013 1.00 0.00 C ATOM 867 C ASP A 152 67.073 -8.846 8.565 1.00 0.00 C ATOM 868 O ASP A 152 65.935 -9.026 8.180 1.00 0.00 O ATOM 869 CB ASP A 152 68.514 -10.922 8.857 1.00 0.00 C ATOM 870 CG ASP A 152 68.049 -10.716 10.302 1.00 0.00 C ATOM 871 OD1 ASP A 152 66.859 -10.529 10.499 1.00 0.00 O ATOM 872 OD2 ASP A 152 68.888 -10.749 11.185 1.00 0.00 O ATOM 0 H ASP A 152 70.281 -9.321 8.557 1.00 0.00 H new ATOM 0 HA ASP A 152 67.983 -9.934 6.990 1.00 0.00 H new ATOM 0 HB2 ASP A 152 67.995 -11.776 8.421 1.00 0.00 H new ATOM 0 HB3 ASP A 152 69.579 -11.155 8.842 1.00 0.00 H new ATOM 877 N LYS A 153 67.354 -7.938 9.462 1.00 0.00 N ATOM 878 CA LYS A 153 66.269 -7.096 10.038 1.00 0.00 C ATOM 879 C LYS A 153 65.741 -6.135 8.972 1.00 0.00 C ATOM 880 O LYS A 153 64.587 -6.179 8.597 1.00 0.00 O ATOM 881 CB LYS A 153 66.931 -6.324 11.181 1.00 0.00 C ATOM 882 CG LYS A 153 65.893 -6.019 12.263 1.00 0.00 C ATOM 883 CD LYS A 153 65.302 -4.627 12.029 1.00 0.00 C ATOM 884 CE LYS A 153 64.650 -4.124 13.320 1.00 0.00 C ATOM 885 NZ LYS A 153 63.919 -2.889 12.924 1.00 0.00 N ATOM 0 H LYS A 153 68.289 -7.744 9.820 1.00 0.00 H new ATOM 0 HA LYS A 153 65.422 -7.686 10.388 1.00 0.00 H new ATOM 0 HB2 LYS A 153 67.749 -6.908 11.602 1.00 0.00 H new ATOM 0 HB3 LYS A 153 67.362 -5.396 10.805 1.00 0.00 H new ATOM 0 HG2 LYS A 153 65.102 -6.769 12.244 1.00 0.00 H new ATOM 0 HG3 LYS A 153 66.355 -6.068 13.249 1.00 0.00 H new ATOM 0 HD2 LYS A 153 66.084 -3.937 11.712 1.00 0.00 H new ATOM 0 HD3 LYS A 153 64.565 -4.664 11.227 1.00 0.00 H new ATOM 0 HE2 LYS A 153 63.971 -4.869 13.736 1.00 0.00 H new ATOM 0 HE3 LYS A 153 65.398 -3.912 14.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 63.445 -2.484 13.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 64.592 -2.196 12.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 63.209 -3.123 12.201 1.00 0.00 H new ATOM 899 N VAL A 154 66.580 -5.267 8.474 1.00 0.00 N ATOM 900 CA VAL A 154 66.118 -4.309 7.428 1.00 0.00 C ATOM 901 C VAL A 154 65.290 -5.047 6.373 1.00 0.00 C ATOM 902 O VAL A 154 64.415 -4.482 5.748 1.00 0.00 O ATOM 903 CB VAL A 154 67.397 -3.750 6.805 1.00 0.00 C ATOM 904 CG1 VAL A 154 67.038 -2.620 5.838 1.00 0.00 C ATOM 905 CG2 VAL A 154 68.307 -3.205 7.908 1.00 0.00 C ATOM 0 H VAL A 154 67.560 -5.180 8.744 1.00 0.00 H new ATOM 0 HA VAL A 154 65.488 -3.520 7.839 1.00 0.00 H new ATOM 0 HB VAL A 154 67.915 -4.543 6.265 1.00 0.00 H new ATOM 0 HG11 VAL A 154 67.949 -2.220 5.392 1.00 0.00 H new ATOM 0 HG12 VAL A 154 66.389 -3.006 5.052 1.00 0.00 H new ATOM 0 HG13 VAL A 154 66.521 -1.828 6.380 1.00 0.00 H new ATOM 0 HG21 VAL A 154 69.219 -2.806 7.463 1.00 0.00 H new ATOM 0 HG22 VAL A 154 67.790 -2.412 8.448 1.00 0.00 H new ATOM 0 HG23 VAL A 154 68.561 -4.008 8.600 1.00 0.00 H new ATOM 915 N MET A 155 65.564 -6.309 6.171 1.00 0.00 N ATOM 916 CA MET A 155 64.797 -7.089 5.157 1.00 0.00 C ATOM 917 C MET A 155 63.422 -7.475 5.707 1.00 0.00 C ATOM 918 O MET A 155 62.427 -7.419 5.012 1.00 0.00 O ATOM 919 CB MET A 155 65.636 -8.341 4.899 1.00 0.00 C ATOM 920 CG MET A 155 65.064 -9.102 3.702 1.00 0.00 C ATOM 921 SD MET A 155 66.407 -9.928 2.813 1.00 0.00 S ATOM 922 CE MET A 155 65.424 -11.282 2.125 1.00 0.00 C ATOM 0 H MET A 155 66.286 -6.833 6.665 1.00 0.00 H new ATOM 0 HA MET A 155 64.625 -6.515 4.246 1.00 0.00 H new ATOM 0 HB2 MET A 155 66.672 -8.064 4.705 1.00 0.00 H new ATOM 0 HB3 MET A 155 65.637 -8.979 5.782 1.00 0.00 H new ATOM 0 HG2 MET A 155 64.332 -9.836 4.040 1.00 0.00 H new ATOM 0 HG3 MET A 155 64.542 -8.415 3.036 1.00 0.00 H new ATOM 0 HE1 MET A 155 66.065 -11.930 1.527 1.00 0.00 H new ATOM 0 HE2 MET A 155 64.981 -11.859 2.937 1.00 0.00 H new ATOM 0 HE3 MET A 155 64.633 -10.874 1.496 1.00 0.00 H new ATOM 932 N ASP A 156 63.356 -7.870 6.950 1.00 0.00 N ATOM 933 CA ASP A 156 62.041 -8.259 7.534 1.00 0.00 C ATOM 934 C ASP A 156 60.990 -7.190 7.215 1.00 0.00 C ATOM 935 O ASP A 156 59.803 -7.453 7.210 1.00 0.00 O ATOM 936 CB ASP A 156 62.292 -8.376 9.047 1.00 0.00 C ATOM 937 CG ASP A 156 62.115 -7.016 9.734 1.00 0.00 C ATOM 938 OD1 ASP A 156 61.021 -6.478 9.670 1.00 0.00 O ATOM 939 OD2 ASP A 156 63.073 -6.541 10.321 1.00 0.00 O ATOM 0 H ASP A 156 64.152 -7.940 7.584 1.00 0.00 H new ATOM 0 HA ASP A 156 61.659 -9.195 7.127 1.00 0.00 H new ATOM 0 HB2 ASP A 156 61.602 -9.100 9.480 1.00 0.00 H new ATOM 0 HB3 ASP A 156 63.300 -8.750 9.225 1.00 0.00 H new ATOM 944 N GLN A 157 61.419 -5.986 6.947 1.00 0.00 N ATOM 945 CA GLN A 157 60.450 -4.900 6.626 1.00 0.00 C ATOM 946 C GLN A 157 61.000 -4.018 5.498 1.00 0.00 C ATOM 947 O GLN A 157 61.694 -3.052 5.738 1.00 0.00 O ATOM 948 CB GLN A 157 60.314 -4.094 7.919 1.00 0.00 C ATOM 949 CG GLN A 157 61.692 -3.603 8.366 1.00 0.00 C ATOM 950 CD GLN A 157 61.645 -3.217 9.846 1.00 0.00 C ATOM 951 OE1 GLN A 157 61.908 -2.085 10.198 1.00 0.00 O ATOM 952 NE2 GLN A 157 61.319 -4.116 10.733 1.00 0.00 N ATOM 0 H GLN A 157 62.400 -5.708 6.937 1.00 0.00 H new ATOM 0 HA GLN A 157 59.490 -5.289 6.287 1.00 0.00 H new ATOM 0 HB2 GLN A 157 59.648 -3.246 7.762 1.00 0.00 H new ATOM 0 HB3 GLN A 157 59.866 -4.711 8.698 1.00 0.00 H new ATOM 0 HG2 GLN A 157 62.436 -4.383 8.207 1.00 0.00 H new ATOM 0 HG3 GLN A 157 61.996 -2.745 7.766 1.00 0.00 H new ATOM 0 HE21 GLN A 157 61.098 -5.067 10.438 1.00 0.00 H new ATOM 0 HE22 GLN A 157 61.285 -3.868 11.722 1.00 0.00 H new ATOM 961 N LYS A 158 60.696 -4.342 4.271 1.00 0.00 N ATOM 962 CA LYS A 158 61.209 -3.515 3.140 1.00 0.00 C ATOM 963 C LYS A 158 60.254 -2.368 2.847 1.00 0.00 C ATOM 964 O LYS A 158 60.340 -1.720 1.823 1.00 0.00 O ATOM 965 CB LYS A 158 61.301 -4.465 1.947 1.00 0.00 C ATOM 966 CG LYS A 158 59.895 -4.753 1.414 1.00 0.00 C ATOM 967 CD LYS A 158 59.748 -6.251 1.141 1.00 0.00 C ATOM 968 CE LYS A 158 59.134 -6.457 -0.246 1.00 0.00 C ATOM 969 NZ LYS A 158 60.130 -7.279 -0.987 1.00 0.00 N ATOM 0 H LYS A 158 60.118 -5.139 4.003 1.00 0.00 H new ATOM 0 HA LYS A 158 62.176 -3.067 3.369 1.00 0.00 H new ATOM 0 HB2 LYS A 158 61.915 -4.023 1.163 1.00 0.00 H new ATOM 0 HB3 LYS A 158 61.786 -5.395 2.245 1.00 0.00 H new ATOM 0 HG2 LYS A 158 59.147 -4.430 2.138 1.00 0.00 H new ATOM 0 HG3 LYS A 158 59.719 -4.187 0.499 1.00 0.00 H new ATOM 0 HD2 LYS A 158 60.721 -6.739 1.196 1.00 0.00 H new ATOM 0 HD3 LYS A 158 59.117 -6.710 1.902 1.00 0.00 H new ATOM 0 HE2 LYS A 158 58.172 -6.966 -0.181 1.00 0.00 H new ATOM 0 HE3 LYS A 158 58.958 -5.504 -0.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 59.781 -7.463 -1.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 61.033 -6.767 -1.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 60.272 -8.182 -0.491 1.00 0.00 H new ATOM 983 N GLU A 159 59.379 -2.077 3.759 1.00 0.00 N ATOM 984 CA GLU A 159 58.468 -0.932 3.548 1.00 0.00 C ATOM 985 C GLU A 159 59.195 0.287 4.076 1.00 0.00 C ATOM 986 O GLU A 159 58.811 0.903 5.050 1.00 0.00 O ATOM 987 CB GLU A 159 57.240 -1.224 4.387 1.00 0.00 C ATOM 988 CG GLU A 159 56.700 -2.615 4.049 1.00 0.00 C ATOM 989 CD GLU A 159 56.151 -2.619 2.620 1.00 0.00 C ATOM 990 OE1 GLU A 159 55.775 -1.559 2.148 1.00 0.00 O ATOM 991 OE2 GLU A 159 56.116 -3.683 2.022 1.00 0.00 O ATOM 0 H GLU A 159 59.256 -2.581 4.637 1.00 0.00 H new ATOM 0 HA GLU A 159 58.183 -0.771 2.508 1.00 0.00 H new ATOM 0 HB2 GLU A 159 57.491 -1.169 5.446 1.00 0.00 H new ATOM 0 HB3 GLU A 159 56.474 -0.471 4.201 1.00 0.00 H new ATOM 0 HG2 GLU A 159 57.492 -3.357 4.147 1.00 0.00 H new ATOM 0 HG3 GLU A 159 55.914 -2.892 4.752 1.00 0.00 H new ATOM 998 N HIS A 160 60.283 0.590 3.450 1.00 0.00 N ATOM 999 CA HIS A 160 61.125 1.721 3.895 1.00 0.00 C ATOM 1000 C HIS A 160 60.654 3.029 3.255 1.00 0.00 C ATOM 1001 O HIS A 160 59.704 3.054 2.498 1.00 0.00 O ATOM 1002 CB HIS A 160 62.524 1.358 3.404 1.00 0.00 C ATOM 1003 CG HIS A 160 63.127 0.331 4.319 1.00 0.00 C ATOM 1004 ND1 HIS A 160 64.367 0.517 4.940 1.00 0.00 N ATOM 1005 CD2 HIS A 160 62.683 -0.907 4.722 1.00 0.00 C ATOM 1006 CE1 HIS A 160 64.624 -0.586 5.674 1.00 0.00 C ATOM 1007 NE2 HIS A 160 63.632 -1.456 5.561 1.00 0.00 N ATOM 0 H HIS A 160 60.633 0.092 2.631 1.00 0.00 H new ATOM 0 HA HIS A 160 61.084 1.874 4.973 1.00 0.00 H new ATOM 0 HB2 HIS A 160 62.474 0.969 2.387 1.00 0.00 H new ATOM 0 HB3 HIS A 160 63.153 2.248 3.375 1.00 0.00 H new ATOM 0 HD2 HIS A 160 61.752 -1.370 4.432 1.00 0.00 H new ATOM 0 HE1 HIS A 160 65.512 -0.738 6.269 1.00 0.00 H new ATOM 0 HE2 HIS A 160 63.579 -2.369 6.013 1.00 0.00 H new ATOM 1015 N LYS A 161 61.310 4.116 3.554 1.00 0.00 N ATOM 1016 CA LYS A 161 60.896 5.420 2.966 1.00 0.00 C ATOM 1017 C LYS A 161 61.826 6.535 3.445 1.00 0.00 C ATOM 1018 O LYS A 161 61.466 7.342 4.280 1.00 0.00 O ATOM 1019 CB LYS A 161 59.474 5.647 3.476 1.00 0.00 C ATOM 1020 CG LYS A 161 58.679 6.441 2.439 1.00 0.00 C ATOM 1021 CD LYS A 161 57.466 7.089 3.111 1.00 0.00 C ATOM 1022 CE LYS A 161 56.723 6.041 3.944 1.00 0.00 C ATOM 1023 NZ LYS A 161 55.562 6.768 4.527 1.00 0.00 N ATOM 0 H LYS A 161 62.114 4.157 4.180 1.00 0.00 H new ATOM 0 HA LYS A 161 60.943 5.418 1.877 1.00 0.00 H new ATOM 0 HB2 LYS A 161 58.988 4.690 3.667 1.00 0.00 H new ATOM 0 HB3 LYS A 161 59.498 6.187 4.422 1.00 0.00 H new ATOM 0 HG2 LYS A 161 59.311 7.207 1.989 1.00 0.00 H new ATOM 0 HG3 LYS A 161 58.353 5.783 1.633 1.00 0.00 H new ATOM 0 HD2 LYS A 161 57.787 7.914 3.747 1.00 0.00 H new ATOM 0 HD3 LYS A 161 56.800 7.508 2.357 1.00 0.00 H new ATOM 0 HE2 LYS A 161 56.396 5.205 3.326 1.00 0.00 H new ATOM 0 HE3 LYS A 161 57.364 5.630 4.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 55.002 6.116 5.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 55.905 7.554 5.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 54.967 7.143 3.761 1.00 0.00 H new ATOM 1037 N LEU A 162 63.020 6.589 2.923 1.00 0.00 N ATOM 1038 CA LEU A 162 63.970 7.656 3.349 1.00 0.00 C ATOM 1039 C LEU A 162 63.914 8.826 2.364 1.00 0.00 C ATOM 1040 O LEU A 162 63.613 8.654 1.199 1.00 0.00 O ATOM 1041 CB LEU A 162 65.351 6.998 3.338 1.00 0.00 C ATOM 1042 CG LEU A 162 65.692 6.529 1.923 1.00 0.00 C ATOM 1043 CD1 LEU A 162 66.727 7.474 1.310 1.00 0.00 C ATOM 1044 CD2 LEU A 162 66.268 5.112 1.984 1.00 0.00 C ATOM 0 H LEU A 162 63.379 5.942 2.221 1.00 0.00 H new ATOM 0 HA LEU A 162 63.729 8.057 4.334 1.00 0.00 H new ATOM 0 HB2 LEU A 162 66.103 7.705 3.687 1.00 0.00 H new ATOM 0 HB3 LEU A 162 65.366 6.152 4.025 1.00 0.00 H new ATOM 0 HG LEU A 162 64.791 6.530 1.310 1.00 0.00 H new ATOM 0 HD11 LEU A 162 66.971 7.141 0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 162 66.319 8.484 1.270 1.00 0.00 H new ATOM 0 HD13 LEU A 162 67.629 7.471 1.921 1.00 0.00 H new ATOM 0 HD21 LEU A 162 66.512 4.775 0.977 1.00 0.00 H new ATOM 0 HD22 LEU A 162 67.170 5.112 2.595 1.00 0.00 H new ATOM 0 HD23 LEU A 162 65.532 4.439 2.424 1.00 0.00 H new ATOM 1056 N ASN A 163 64.193 10.015 2.822 1.00 0.00 N ATOM 1057 CA ASN A 163 64.147 11.195 1.910 1.00 0.00 C ATOM 1058 C ASN A 163 62.732 11.378 1.352 1.00 0.00 C ATOM 1059 O ASN A 163 62.511 12.135 0.429 1.00 0.00 O ATOM 1060 CB ASN A 163 65.129 10.867 0.785 1.00 0.00 C ATOM 1061 CG ASN A 163 66.442 11.617 1.018 1.00 0.00 C ATOM 1062 OD1 ASN A 163 67.158 11.916 0.082 1.00 0.00 O ATOM 1063 ND2 ASN A 163 66.790 11.937 2.234 1.00 0.00 N ATOM 0 H ASN A 163 64.451 10.222 3.787 1.00 0.00 H new ATOM 0 HA ASN A 163 64.409 12.121 2.421 1.00 0.00 H new ATOM 0 HB2 ASN A 163 65.313 9.793 0.750 1.00 0.00 H new ATOM 0 HB3 ASN A 163 64.703 11.149 -0.178 1.00 0.00 H new ATOM 0 HD21 ASN A 163 67.663 12.438 2.400 1.00 0.00 H new ATOM 0 HD22 ASN A 163 66.189 11.686 3.019 1.00 0.00 H new ATOM 1070 N GLY A 164 61.770 10.692 1.910 1.00 0.00 N ATOM 1071 CA GLY A 164 60.372 10.830 1.415 1.00 0.00 C ATOM 1072 C GLY A 164 60.125 9.834 0.279 1.00 0.00 C ATOM 1073 O GLY A 164 59.247 10.022 -0.539 1.00 0.00 O ATOM 0 H GLY A 164 61.893 10.043 2.687 1.00 0.00 H new ATOM 0 HA2 GLY A 164 59.669 10.650 2.228 1.00 0.00 H new ATOM 0 HA3 GLY A 164 60.199 11.847 1.063 1.00 0.00 H new ATOM 1077 N LYS A 165 60.888 8.778 0.220 1.00 0.00 N ATOM 1078 CA LYS A 165 60.687 7.779 -0.870 1.00 0.00 C ATOM 1079 C LYS A 165 61.087 6.376 -0.396 1.00 0.00 C ATOM 1080 O LYS A 165 62.081 6.197 0.282 1.00 0.00 O ATOM 1081 CB LYS A 165 61.600 8.247 -2.006 1.00 0.00 C ATOM 1082 CG LYS A 165 60.941 9.417 -2.741 1.00 0.00 C ATOM 1083 CD LYS A 165 61.184 9.280 -4.245 1.00 0.00 C ATOM 1084 CE LYS A 165 60.180 8.288 -4.838 1.00 0.00 C ATOM 1085 NZ LYS A 165 59.078 9.131 -5.379 1.00 0.00 N ATOM 0 H LYS A 165 61.639 8.563 0.876 1.00 0.00 H new ATOM 0 HA LYS A 165 59.645 7.715 -1.182 1.00 0.00 H new ATOM 0 HB2 LYS A 165 62.567 8.553 -1.607 1.00 0.00 H new ATOM 0 HB3 LYS A 165 61.786 7.427 -2.699 1.00 0.00 H new ATOM 0 HG2 LYS A 165 59.871 9.432 -2.535 1.00 0.00 H new ATOM 0 HG3 LYS A 165 61.349 10.362 -2.381 1.00 0.00 H new ATOM 0 HD2 LYS A 165 61.082 10.251 -4.730 1.00 0.00 H new ATOM 0 HD3 LYS A 165 62.202 8.937 -4.430 1.00 0.00 H new ATOM 0 HE2 LYS A 165 60.637 7.685 -5.623 1.00 0.00 H new ATOM 0 HE3 LYS A 165 59.812 7.597 -4.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 58.350 8.521 -5.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 58.657 9.688 -4.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 59.456 9.773 -6.104 1.00 0.00 H new ATOM 1099 N VAL A 166 60.319 5.379 -0.753 1.00 0.00 N ATOM 1100 CA VAL A 166 60.654 3.987 -0.330 1.00 0.00 C ATOM 1101 C VAL A 166 61.950 3.531 -1.008 1.00 0.00 C ATOM 1102 O VAL A 166 62.562 4.270 -1.753 1.00 0.00 O ATOM 1103 CB VAL A 166 59.465 3.137 -0.786 1.00 0.00 C ATOM 1104 CG1 VAL A 166 59.562 2.871 -2.291 1.00 0.00 C ATOM 1105 CG2 VAL A 166 59.477 1.806 -0.029 1.00 0.00 C ATOM 0 H VAL A 166 59.475 5.469 -1.319 1.00 0.00 H new ATOM 0 HA VAL A 166 60.817 3.903 0.745 1.00 0.00 H new ATOM 0 HB VAL A 166 58.538 3.671 -0.578 1.00 0.00 H new ATOM 0 HG11 VAL A 166 58.713 2.266 -2.609 1.00 0.00 H new ATOM 0 HG12 VAL A 166 59.554 3.819 -2.829 1.00 0.00 H new ATOM 0 HG13 VAL A 166 60.488 2.339 -2.507 1.00 0.00 H new ATOM 0 HG21 VAL A 166 58.632 1.197 -0.350 1.00 0.00 H new ATOM 0 HG22 VAL A 166 60.406 1.277 -0.239 1.00 0.00 H new ATOM 0 HG23 VAL A 166 59.401 1.996 1.042 1.00 0.00 H new ATOM 1115 N ILE A 167 62.377 2.326 -0.752 1.00 0.00 N ATOM 1116 CA ILE A 167 63.644 1.837 -1.382 1.00 0.00 C ATOM 1117 C ILE A 167 63.548 0.344 -1.697 1.00 0.00 C ATOM 1118 O ILE A 167 62.576 -0.313 -1.379 1.00 0.00 O ATOM 1119 CB ILE A 167 64.768 2.071 -0.354 1.00 0.00 C ATOM 1120 CG1 ILE A 167 64.194 2.475 1.013 1.00 0.00 C ATOM 1121 CG2 ILE A 167 65.696 3.178 -0.859 1.00 0.00 C ATOM 1122 CD1 ILE A 167 65.199 2.124 2.112 1.00 0.00 C ATOM 0 H ILE A 167 61.910 1.659 -0.138 1.00 0.00 H new ATOM 0 HA ILE A 167 63.834 2.365 -2.316 1.00 0.00 H new ATOM 0 HB ILE A 167 65.322 1.140 -0.234 1.00 0.00 H new ATOM 0 HG12 ILE A 167 63.981 3.544 1.028 1.00 0.00 H new ATOM 0 HG13 ILE A 167 63.250 1.959 1.190 1.00 0.00 H new ATOM 0 HG21 ILE A 167 66.492 3.345 -0.133 1.00 0.00 H new ATOM 0 HG22 ILE A 167 66.132 2.881 -1.813 1.00 0.00 H new ATOM 0 HG23 ILE A 167 65.127 4.098 -0.991 1.00 0.00 H new ATOM 0 HD11 ILE A 167 64.792 2.410 3.082 1.00 0.00 H new ATOM 0 HD12 ILE A 167 65.390 1.051 2.101 1.00 0.00 H new ATOM 0 HD13 ILE A 167 66.132 2.660 1.937 1.00 0.00 H new ATOM 1134 N ASP A 168 64.565 -0.193 -2.310 1.00 0.00 N ATOM 1135 CA ASP A 168 64.567 -1.643 -2.644 1.00 0.00 C ATOM 1136 C ASP A 168 65.857 -2.275 -2.122 1.00 0.00 C ATOM 1137 O ASP A 168 66.863 -2.296 -2.807 1.00 0.00 O ATOM 1138 CB ASP A 168 64.513 -1.703 -4.171 1.00 0.00 C ATOM 1139 CG ASP A 168 64.042 -3.088 -4.613 1.00 0.00 C ATOM 1140 OD1 ASP A 168 63.640 -3.858 -3.755 1.00 0.00 O ATOM 1141 OD2 ASP A 168 64.091 -3.358 -5.802 1.00 0.00 O ATOM 0 H ASP A 168 65.402 0.315 -2.596 1.00 0.00 H new ATOM 0 HA ASP A 168 63.732 -2.182 -2.197 1.00 0.00 H new ATOM 0 HB2 ASP A 168 63.835 -0.939 -4.551 1.00 0.00 H new ATOM 0 HB3 ASP A 168 65.498 -1.492 -4.588 1.00 0.00 H new ATOM 1146 N PRO A 169 65.786 -2.756 -0.909 1.00 0.00 N ATOM 1147 CA PRO A 169 66.961 -3.384 -0.267 1.00 0.00 C ATOM 1148 C PRO A 169 67.166 -4.810 -0.782 1.00 0.00 C ATOM 1149 O PRO A 169 66.226 -5.561 -0.957 1.00 0.00 O ATOM 1150 CB PRO A 169 66.593 -3.399 1.212 1.00 0.00 C ATOM 1151 CG PRO A 169 65.096 -3.390 1.249 1.00 0.00 C ATOM 1152 CD PRO A 169 64.611 -2.753 -0.031 1.00 0.00 C ATOM 0 HA PRO A 169 67.890 -2.851 -0.473 1.00 0.00 H new ATOM 0 HB2 PRO A 169 66.993 -4.284 1.707 1.00 0.00 H new ATOM 0 HB3 PRO A 169 67.004 -2.531 1.728 1.00 0.00 H new ATOM 0 HG2 PRO A 169 64.709 -4.405 1.342 1.00 0.00 H new ATOM 0 HG3 PRO A 169 64.738 -2.832 2.114 1.00 0.00 H new ATOM 0 HD2 PRO A 169 63.787 -3.317 -0.468 1.00 0.00 H new ATOM 0 HD3 PRO A 169 64.247 -1.740 0.142 1.00 0.00 H new ATOM 1160 N LYS A 170 68.391 -5.194 -1.015 1.00 0.00 N ATOM 1161 CA LYS A 170 68.659 -6.575 -1.506 1.00 0.00 C ATOM 1162 C LYS A 170 70.003 -7.065 -0.984 1.00 0.00 C ATOM 1163 O LYS A 170 70.648 -6.415 -0.185 1.00 0.00 O ATOM 1164 CB LYS A 170 68.724 -6.472 -3.022 1.00 0.00 C ATOM 1165 CG LYS A 170 67.475 -7.106 -3.638 1.00 0.00 C ATOM 1166 CD LYS A 170 67.889 -8.235 -4.585 1.00 0.00 C ATOM 1167 CE LYS A 170 67.175 -8.065 -5.927 1.00 0.00 C ATOM 1168 NZ LYS A 170 65.730 -7.958 -5.583 1.00 0.00 N ATOM 0 H LYS A 170 69.218 -4.611 -0.887 1.00 0.00 H new ATOM 0 HA LYS A 170 67.889 -7.270 -1.171 1.00 0.00 H new ATOM 0 HB2 LYS A 170 68.798 -5.427 -3.322 1.00 0.00 H new ATOM 0 HB3 LYS A 170 69.618 -6.974 -3.392 1.00 0.00 H new ATOM 0 HG2 LYS A 170 66.827 -7.495 -2.853 1.00 0.00 H new ATOM 0 HG3 LYS A 170 66.902 -6.354 -4.180 1.00 0.00 H new ATOM 0 HD2 LYS A 170 68.969 -8.223 -4.732 1.00 0.00 H new ATOM 0 HD3 LYS A 170 67.638 -9.201 -4.147 1.00 0.00 H new ATOM 0 HE2 LYS A 170 67.523 -7.174 -6.450 1.00 0.00 H new ATOM 0 HE3 LYS A 170 67.363 -8.914 -6.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 65.163 -8.429 -6.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 65.557 -8.415 -4.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 65.460 -6.955 -5.527 1.00 0.00 H new ATOM 1182 N ARG A 171 70.437 -8.203 -1.444 1.00 0.00 N ATOM 1183 CA ARG A 171 71.746 -8.728 -0.985 1.00 0.00 C ATOM 1184 C ARG A 171 72.863 -8.252 -1.912 1.00 0.00 C ATOM 1185 O ARG A 171 72.675 -7.374 -2.730 1.00 0.00 O ATOM 1186 CB ARG A 171 71.614 -10.251 -1.029 1.00 0.00 C ATOM 1187 CG ARG A 171 72.487 -10.870 0.065 1.00 0.00 C ATOM 1188 CD ARG A 171 73.363 -11.970 -0.538 1.00 0.00 C ATOM 1189 NE ARG A 171 73.954 -12.676 0.634 1.00 0.00 N ATOM 1190 CZ ARG A 171 75.221 -12.989 0.636 1.00 0.00 C ATOM 1191 NH1 ARG A 171 76.120 -12.077 0.389 1.00 0.00 N ATOM 1192 NH2 ARG A 171 75.588 -14.215 0.890 1.00 0.00 N ATOM 0 H ARG A 171 69.942 -8.789 -2.116 1.00 0.00 H new ATOM 0 HA ARG A 171 71.998 -8.378 0.016 1.00 0.00 H new ATOM 0 HB2 ARG A 171 70.573 -10.541 -0.886 1.00 0.00 H new ATOM 0 HB3 ARG A 171 71.918 -10.625 -2.007 1.00 0.00 H new ATOM 0 HG2 ARG A 171 73.112 -10.103 0.523 1.00 0.00 H new ATOM 0 HG3 ARG A 171 71.859 -11.283 0.855 1.00 0.00 H new ATOM 0 HD2 ARG A 171 72.775 -12.651 -1.154 1.00 0.00 H new ATOM 0 HD3 ARG A 171 74.139 -11.550 -1.179 1.00 0.00 H new ATOM 0 HE ARG A 171 73.368 -12.914 1.434 1.00 0.00 H new ATOM 0 HH11 ARG A 171 75.833 -11.118 0.194 1.00 0.00 H new ATOM 0 HH12 ARG A 171 77.110 -12.323 0.391 1.00 0.00 H new ATOM 0 HH21 ARG A 171 74.885 -14.927 1.087 1.00 0.00 H new ATOM 0 HH22 ARG A 171 76.578 -14.461 0.892 1.00 0.00 H new