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 116 TYR OH : rot -151:sc= 0.703 USER MOD Set 1.2: A 160 HIS : no HD1:sc= -12.1! C(o=-11!,f=-15!) USER MOD Set 2.1: A 108 THR OG1 : rot -59:sc= -2.98! USER MOD Set 2.2: A 163 ASN : amide:sc= -8.92! C(o=-12!,f=-21!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -123:sc= -6.65! (180deg=-12.7!) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -79:sc= 1.19 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 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 CYS SG : rot 28:sc= -6.69! USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 SER OG : rot 180:sc= 0.221 USER MOD Single : A 150 SER OG : rot -21:sc= -3.25! 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= -0.063 X(o=-0.063,f=0) USER MOD Single : A 158 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.283) USER MOD Single : A 161 LYS NZ :NH3+ -165:sc= 0.398 (180deg=0.2) USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 170 LYS NZ :NH3+ 180:sc= 0.00428 (180deg=0.00428) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 98 76.878 -6.901 3.291 1.00 0.00 N ATOM 2 CA LYS A 98 76.704 -5.758 2.350 1.00 0.00 C ATOM 3 C LYS A 98 75.391 -5.917 1.578 1.00 0.00 C ATOM 4 O LYS A 98 75.032 -7.003 1.169 1.00 0.00 O ATOM 5 CB LYS A 98 77.899 -5.838 1.394 1.00 0.00 C ATOM 6 CG LYS A 98 79.178 -6.151 2.178 1.00 0.00 C ATOM 7 CD LYS A 98 80.292 -6.534 1.201 1.00 0.00 C ATOM 8 CE LYS A 98 79.946 -7.865 0.530 1.00 0.00 C ATOM 9 NZ LYS A 98 81.215 -8.316 -0.106 1.00 0.00 N ATOM 0 HA LYS A 98 76.663 -4.799 2.866 1.00 0.00 H new ATOM 0 HB2 LYS A 98 77.724 -6.610 0.644 1.00 0.00 H new ATOM 0 HB3 LYS A 98 78.012 -4.894 0.860 1.00 0.00 H new ATOM 0 HG2 LYS A 98 79.478 -5.284 2.767 1.00 0.00 H new ATOM 0 HG3 LYS A 98 78.998 -6.966 2.879 1.00 0.00 H new ATOM 0 HD2 LYS A 98 80.413 -5.755 0.448 1.00 0.00 H new ATOM 0 HD3 LYS A 98 81.242 -6.617 1.730 1.00 0.00 H new ATOM 0 HE2 LYS A 98 79.589 -8.593 1.258 1.00 0.00 H new ATOM 0 HE3 LYS A 98 79.156 -7.740 -0.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 81.058 -9.224 -0.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 81.527 -7.606 -0.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 81.947 -8.433 0.624 1.00 0.00 H new ATOM 23 N MET A 99 74.671 -4.848 1.376 1.00 0.00 N ATOM 24 CA MET A 99 73.381 -4.953 0.630 1.00 0.00 C ATOM 25 C MET A 99 73.246 -3.815 -0.382 1.00 0.00 C ATOM 26 O MET A 99 74.101 -2.957 -0.493 1.00 0.00 O ATOM 27 CB MET A 99 72.284 -4.850 1.693 1.00 0.00 C ATOM 28 CG MET A 99 72.668 -3.804 2.740 1.00 0.00 C ATOM 29 SD MET A 99 71.378 -3.719 4.003 1.00 0.00 S ATOM 30 CE MET A 99 70.012 -3.270 2.905 1.00 0.00 C ATOM 0 H MET A 99 74.917 -3.910 1.693 1.00 0.00 H new ATOM 0 HA MET A 99 73.319 -5.885 0.068 1.00 0.00 H new ATOM 0 HB2 MET A 99 71.337 -4.578 1.226 1.00 0.00 H new ATOM 0 HB3 MET A 99 72.137 -5.818 2.171 1.00 0.00 H new ATOM 0 HG2 MET A 99 73.623 -4.064 3.197 1.00 0.00 H new ATOM 0 HG3 MET A 99 72.795 -2.830 2.268 1.00 0.00 H new ATOM 0 HE1 MET A 99 69.564 -2.336 3.245 1.00 0.00 H new ATOM 0 HE2 MET A 99 70.388 -3.144 1.890 1.00 0.00 H new ATOM 0 HE3 MET A 99 69.260 -4.059 2.918 1.00 0.00 H new ATOM 40 N PHE A 100 72.172 -3.807 -1.123 1.00 0.00 N ATOM 41 CA PHE A 100 71.962 -2.737 -2.138 1.00 0.00 C ATOM 42 C PHE A 100 70.679 -1.964 -1.824 1.00 0.00 C ATOM 43 O PHE A 100 69.633 -2.541 -1.601 1.00 0.00 O ATOM 44 CB PHE A 100 71.841 -3.494 -3.466 1.00 0.00 C ATOM 45 CG PHE A 100 71.713 -2.531 -4.628 1.00 0.00 C ATOM 46 CD1 PHE A 100 70.641 -1.627 -4.700 1.00 0.00 C ATOM 47 CD2 PHE A 100 72.675 -2.550 -5.645 1.00 0.00 C ATOM 48 CE1 PHE A 100 70.542 -0.745 -5.784 1.00 0.00 C ATOM 49 CE2 PHE A 100 72.573 -1.669 -6.726 1.00 0.00 C ATOM 50 CZ PHE A 100 71.508 -0.767 -6.796 1.00 0.00 C ATOM 0 H PHE A 100 71.426 -4.501 -1.068 1.00 0.00 H new ATOM 0 HA PHE A 100 72.768 -2.003 -2.159 1.00 0.00 H new ATOM 0 HB2 PHE A 100 72.716 -4.128 -3.609 1.00 0.00 H new ATOM 0 HB3 PHE A 100 70.972 -4.152 -3.436 1.00 0.00 H new ATOM 0 HD1 PHE A 100 69.894 -1.612 -3.921 1.00 0.00 H new ATOM 0 HD2 PHE A 100 73.498 -3.247 -5.594 1.00 0.00 H new ATOM 0 HE1 PHE A 100 69.719 -0.047 -5.839 1.00 0.00 H new ATOM 0 HE2 PHE A 100 73.318 -1.686 -7.508 1.00 0.00 H new ATOM 0 HZ PHE A 100 71.431 -0.087 -7.631 1.00 0.00 H new ATOM 60 N ILE A 101 70.753 -0.664 -1.814 1.00 0.00 N ATOM 61 CA ILE A 101 69.541 0.159 -1.527 1.00 0.00 C ATOM 62 C ILE A 101 69.168 0.956 -2.778 1.00 0.00 C ATOM 63 O ILE A 101 69.639 2.055 -2.984 1.00 0.00 O ATOM 64 CB ILE A 101 69.942 1.102 -0.387 1.00 0.00 C ATOM 65 CG1 ILE A 101 70.862 0.372 0.601 1.00 0.00 C ATOM 66 CG2 ILE A 101 68.685 1.572 0.348 1.00 0.00 C ATOM 67 CD1 ILE A 101 70.256 -0.985 0.971 1.00 0.00 C ATOM 0 H ILE A 101 71.604 -0.131 -1.993 1.00 0.00 H new ATOM 0 HA ILE A 101 68.679 -0.449 -1.250 1.00 0.00 H new ATOM 0 HB ILE A 101 70.471 1.959 -0.803 1.00 0.00 H new ATOM 0 HG12 ILE A 101 71.848 0.231 0.158 1.00 0.00 H new ATOM 0 HG13 ILE A 101 70.999 0.976 1.498 1.00 0.00 H new ATOM 0 HG21 ILE A 101 68.967 2.243 1.159 1.00 0.00 H new ATOM 0 HG22 ILE A 101 68.032 2.099 -0.348 1.00 0.00 H new ATOM 0 HG23 ILE A 101 68.159 0.709 0.757 1.00 0.00 H new ATOM 0 HD11 ILE A 101 70.914 -1.498 1.672 1.00 0.00 H new ATOM 0 HD12 ILE A 101 69.280 -0.834 1.433 1.00 0.00 H new ATOM 0 HD13 ILE A 101 70.142 -1.590 0.072 1.00 0.00 H new ATOM 79 N GLY A 102 68.339 0.405 -3.623 1.00 0.00 N ATOM 80 CA GLY A 102 67.953 1.133 -4.866 1.00 0.00 C ATOM 81 C GLY A 102 66.677 1.938 -4.623 1.00 0.00 C ATOM 82 O GLY A 102 65.827 1.555 -3.844 1.00 0.00 O ATOM 0 H GLY A 102 67.913 -0.515 -3.507 1.00 0.00 H new ATOM 0 HA2 GLY A 102 68.760 1.798 -5.174 1.00 0.00 H new ATOM 0 HA3 GLY A 102 67.797 0.424 -5.679 1.00 0.00 H new ATOM 86 N GLY A 103 66.535 3.053 -5.289 1.00 0.00 N ATOM 87 CA GLY A 103 65.310 3.882 -5.104 1.00 0.00 C ATOM 88 C GLY A 103 65.649 5.154 -4.322 1.00 0.00 C ATOM 89 O GLY A 103 64.793 5.757 -3.705 1.00 0.00 O ATOM 0 H GLY A 103 67.214 3.425 -5.953 1.00 0.00 H new ATOM 0 HA2 GLY A 103 64.889 4.144 -6.075 1.00 0.00 H new ATOM 0 HA3 GLY A 103 64.551 3.309 -4.571 1.00 0.00 H new ATOM 93 N LEU A 104 66.887 5.574 -4.341 1.00 0.00 N ATOM 94 CA LEU A 104 67.256 6.812 -3.594 1.00 0.00 C ATOM 95 C LEU A 104 66.929 8.050 -4.437 1.00 0.00 C ATOM 96 O LEU A 104 66.724 7.962 -5.631 1.00 0.00 O ATOM 97 CB LEU A 104 68.761 6.711 -3.350 1.00 0.00 C ATOM 98 CG LEU A 104 69.026 5.926 -2.070 1.00 0.00 C ATOM 99 CD1 LEU A 104 68.927 4.429 -2.364 1.00 0.00 C ATOM 100 CD2 LEU A 104 70.429 6.252 -1.562 1.00 0.00 C ATOM 0 H LEU A 104 67.653 5.118 -4.837 1.00 0.00 H new ATOM 0 HA LEU A 104 66.705 6.905 -2.658 1.00 0.00 H new ATOM 0 HB2 LEU A 104 69.243 6.220 -4.195 1.00 0.00 H new ATOM 0 HB3 LEU A 104 69.194 7.708 -3.272 1.00 0.00 H new ATOM 0 HG LEU A 104 68.290 6.198 -1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 104 69.116 3.865 -1.450 1.00 0.00 H new ATOM 0 HD12 LEU A 104 67.928 4.196 -2.734 1.00 0.00 H new ATOM 0 HD13 LEU A 104 69.666 4.157 -3.118 1.00 0.00 H new ATOM 0 HD21 LEU A 104 70.624 5.693 -0.647 1.00 0.00 H new ATOM 0 HD22 LEU A 104 71.163 5.976 -2.319 1.00 0.00 H new ATOM 0 HD23 LEU A 104 70.503 7.320 -1.358 1.00 0.00 H new ATOM 112 N SER A 105 66.875 9.199 -3.823 1.00 0.00 N ATOM 113 CA SER A 105 66.553 10.444 -4.589 1.00 0.00 C ATOM 114 C SER A 105 67.832 11.126 -5.096 1.00 0.00 C ATOM 115 O SER A 105 68.930 10.681 -4.840 1.00 0.00 O ATOM 116 CB SER A 105 65.826 11.342 -3.592 1.00 0.00 C ATOM 117 OG SER A 105 64.844 12.106 -4.280 1.00 0.00 O ATOM 0 H SER A 105 67.039 9.334 -2.825 1.00 0.00 H new ATOM 0 HA SER A 105 65.949 10.232 -5.471 1.00 0.00 H new ATOM 0 HB2 SER A 105 65.356 10.738 -2.816 1.00 0.00 H new ATOM 0 HB3 SER A 105 66.536 12.003 -3.095 1.00 0.00 H new ATOM 0 HG SER A 105 64.373 12.683 -3.643 1.00 0.00 H new ATOM 123 N TRP A 106 67.689 12.213 -5.808 1.00 0.00 N ATOM 124 CA TRP A 106 68.891 12.936 -6.326 1.00 0.00 C ATOM 125 C TRP A 106 69.606 13.653 -5.175 1.00 0.00 C ATOM 126 O TRP A 106 70.646 14.255 -5.359 1.00 0.00 O ATOM 127 CB TRP A 106 68.334 13.962 -7.317 1.00 0.00 C ATOM 128 CG TRP A 106 67.529 13.272 -8.371 1.00 0.00 C ATOM 129 CD1 TRP A 106 68.034 12.461 -9.329 1.00 0.00 C ATOM 130 CD2 TRP A 106 66.089 13.324 -8.596 1.00 0.00 C ATOM 131 NE1 TRP A 106 66.996 12.009 -10.126 1.00 0.00 N ATOM 132 CE2 TRP A 106 65.778 12.514 -9.715 1.00 0.00 C ATOM 133 CE3 TRP A 106 65.032 13.987 -7.945 1.00 0.00 C ATOM 134 CZ2 TRP A 106 64.467 12.368 -10.171 1.00 0.00 C ATOM 135 CZ3 TRP A 106 63.712 13.842 -8.402 1.00 0.00 C ATOM 136 CH2 TRP A 106 63.430 13.033 -9.512 1.00 0.00 C ATOM 0 H TRP A 106 66.792 12.632 -6.054 1.00 0.00 H new ATOM 0 HA TRP A 106 69.612 12.263 -6.789 1.00 0.00 H new ATOM 0 HB2 TRP A 106 67.714 14.688 -6.791 1.00 0.00 H new ATOM 0 HB3 TRP A 106 69.152 14.516 -7.777 1.00 0.00 H new ATOM 0 HD1 TRP A 106 69.077 12.208 -9.452 1.00 0.00 H new ATOM 0 HE1 TRP A 106 67.116 11.380 -10.920 1.00 0.00 H new ATOM 0 HE3 TRP A 106 65.237 14.612 -7.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 64.256 11.745 -11.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 62.909 14.357 -7.895 1.00 0.00 H new ATOM 0 HH2 TRP A 106 62.412 12.924 -9.857 1.00 0.00 H new ATOM 147 N ASP A 107 69.050 13.607 -3.991 1.00 0.00 N ATOM 148 CA ASP A 107 69.696 14.300 -2.838 1.00 0.00 C ATOM 149 C ASP A 107 70.056 13.308 -1.727 1.00 0.00 C ATOM 150 O ASP A 107 70.358 13.699 -0.617 1.00 0.00 O ATOM 151 CB ASP A 107 68.649 15.296 -2.336 1.00 0.00 C ATOM 152 CG ASP A 107 68.969 16.691 -2.877 1.00 0.00 C ATOM 153 OD1 ASP A 107 68.906 16.867 -4.082 1.00 0.00 O ATOM 154 OD2 ASP A 107 69.270 17.560 -2.075 1.00 0.00 O ATOM 0 H ASP A 107 68.180 13.121 -3.774 1.00 0.00 H new ATOM 0 HA ASP A 107 70.626 14.786 -3.134 1.00 0.00 H new ATOM 0 HB2 ASP A 107 67.655 14.988 -2.660 1.00 0.00 H new ATOM 0 HB3 ASP A 107 68.639 15.311 -1.246 1.00 0.00 H new ATOM 159 N THR A 108 70.038 12.034 -2.008 1.00 0.00 N ATOM 160 CA THR A 108 70.394 11.048 -0.946 1.00 0.00 C ATOM 161 C THR A 108 71.909 11.053 -0.737 1.00 0.00 C ATOM 162 O THR A 108 72.661 11.469 -1.596 1.00 0.00 O ATOM 163 CB THR A 108 69.916 9.688 -1.460 1.00 0.00 C ATOM 164 OG1 THR A 108 69.239 9.862 -2.695 1.00 0.00 O ATOM 165 CG2 THR A 108 68.958 9.070 -0.442 1.00 0.00 C ATOM 0 H THR A 108 69.796 11.635 -2.915 1.00 0.00 H new ATOM 0 HA THR A 108 69.931 11.284 0.012 1.00 0.00 H new ATOM 0 HB THR A 108 70.774 9.030 -1.603 1.00 0.00 H new ATOM 0 HG1 THR A 108 68.474 10.461 -2.567 1.00 0.00 H new ATOM 0 HG21 THR A 108 68.616 8.101 -0.806 1.00 0.00 H new ATOM 0 HG22 THR A 108 69.473 8.939 0.510 1.00 0.00 H new ATOM 0 HG23 THR A 108 68.101 9.729 -0.303 1.00 0.00 H new ATOM 173 N THR A 109 72.364 10.614 0.403 1.00 0.00 N ATOM 174 CA THR A 109 73.830 10.616 0.667 1.00 0.00 C ATOM 175 C THR A 109 74.209 9.483 1.622 1.00 0.00 C ATOM 176 O THR A 109 73.364 8.797 2.160 1.00 0.00 O ATOM 177 CB THR A 109 74.103 11.966 1.328 1.00 0.00 C ATOM 178 OG1 THR A 109 73.339 12.064 2.526 1.00 0.00 O ATOM 179 CG2 THR A 109 73.708 13.093 0.372 1.00 0.00 C ATOM 0 H THR A 109 71.785 10.254 1.162 1.00 0.00 H new ATOM 0 HA THR A 109 74.408 10.469 -0.245 1.00 0.00 H new ATOM 0 HB THR A 109 75.164 12.051 1.564 1.00 0.00 H new ATOM 0 HG1 THR A 109 72.413 12.298 2.305 1.00 0.00 H new ATOM 0 HG21 THR A 109 73.903 14.056 0.844 1.00 0.00 H new ATOM 0 HG22 THR A 109 74.292 13.014 -0.545 1.00 0.00 H new ATOM 0 HG23 THR A 109 72.647 13.014 0.135 1.00 0.00 H new ATOM 187 N LYS A 110 75.480 9.299 1.846 1.00 0.00 N ATOM 188 CA LYS A 110 75.930 8.229 2.778 1.00 0.00 C ATOM 189 C LYS A 110 75.490 8.579 4.203 1.00 0.00 C ATOM 190 O LYS A 110 75.465 7.740 5.081 1.00 0.00 O ATOM 191 CB LYS A 110 77.460 8.233 2.655 1.00 0.00 C ATOM 192 CG LYS A 110 78.106 7.630 3.907 1.00 0.00 C ATOM 193 CD LYS A 110 79.580 8.034 3.959 1.00 0.00 C ATOM 194 CE LYS A 110 79.733 9.288 4.824 1.00 0.00 C ATOM 195 NZ LYS A 110 81.108 9.787 4.544 1.00 0.00 N ATOM 0 H LYS A 110 76.229 9.846 1.422 1.00 0.00 H new ATOM 0 HA LYS A 110 75.510 7.250 2.547 1.00 0.00 H new ATOM 0 HB2 LYS A 110 77.760 7.664 1.775 1.00 0.00 H new ATOM 0 HB3 LYS A 110 77.816 9.253 2.512 1.00 0.00 H new ATOM 0 HG2 LYS A 110 77.589 7.979 4.801 1.00 0.00 H new ATOM 0 HG3 LYS A 110 78.015 6.544 3.890 1.00 0.00 H new ATOM 0 HD2 LYS A 110 80.177 7.220 4.370 1.00 0.00 H new ATOM 0 HD3 LYS A 110 79.952 8.225 2.952 1.00 0.00 H new ATOM 0 HE2 LYS A 110 78.983 10.036 4.569 1.00 0.00 H new ATOM 0 HE3 LYS A 110 79.606 9.056 5.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 81.286 10.646 5.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 81.802 9.057 4.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 81.198 10.007 3.532 1.00 0.00 H new ATOM 209 N LYS A 111 75.154 9.818 4.438 1.00 0.00 N ATOM 210 CA LYS A 111 74.730 10.230 5.806 1.00 0.00 C ATOM 211 C LYS A 111 73.253 9.903 6.039 1.00 0.00 C ATOM 212 O LYS A 111 72.912 9.139 6.919 1.00 0.00 O ATOM 213 CB LYS A 111 74.960 11.740 5.850 1.00 0.00 C ATOM 214 CG LYS A 111 75.692 12.102 7.143 1.00 0.00 C ATOM 215 CD LYS A 111 76.672 13.245 6.877 1.00 0.00 C ATOM 216 CE LYS A 111 76.607 14.248 8.030 1.00 0.00 C ATOM 217 NZ LYS A 111 76.111 15.511 7.417 1.00 0.00 N ATOM 0 H LYS A 111 75.155 10.563 3.741 1.00 0.00 H new ATOM 0 HA LYS A 111 75.288 9.706 6.582 1.00 0.00 H new ATOM 0 HB2 LYS A 111 75.546 12.056 4.986 1.00 0.00 H new ATOM 0 HB3 LYS A 111 74.007 12.266 5.798 1.00 0.00 H new ATOM 0 HG2 LYS A 111 74.974 12.396 7.909 1.00 0.00 H new ATOM 0 HG3 LYS A 111 76.227 11.233 7.525 1.00 0.00 H new ATOM 0 HD2 LYS A 111 77.685 12.855 6.777 1.00 0.00 H new ATOM 0 HD3 LYS A 111 76.426 13.738 5.937 1.00 0.00 H new ATOM 0 HE2 LYS A 111 75.937 13.902 8.817 1.00 0.00 H new ATOM 0 HE3 LYS A 111 77.587 14.389 8.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 76.040 16.247 8.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 76.772 15.821 6.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 75.173 15.348 6.997 1.00 0.00 H new ATOM 231 N ASP A 112 72.369 10.476 5.265 1.00 0.00 N ATOM 232 CA ASP A 112 70.920 10.183 5.470 1.00 0.00 C ATOM 233 C ASP A 112 70.644 8.702 5.194 1.00 0.00 C ATOM 234 O ASP A 112 69.642 8.158 5.615 1.00 0.00 O ATOM 235 CB ASP A 112 70.177 11.076 4.475 1.00 0.00 C ATOM 236 CG ASP A 112 70.650 10.772 3.057 1.00 0.00 C ATOM 237 OD1 ASP A 112 70.890 9.611 2.768 1.00 0.00 O ATOM 238 OD2 ASP A 112 70.765 11.705 2.279 1.00 0.00 O ATOM 0 H ASP A 112 72.584 11.126 4.509 1.00 0.00 H new ATOM 0 HA ASP A 112 70.598 10.380 6.492 1.00 0.00 H new ATOM 0 HB2 ASP A 112 69.103 10.909 4.554 1.00 0.00 H new ATOM 0 HB3 ASP A 112 70.355 12.125 4.711 1.00 0.00 H new ATOM 243 N LEU A 113 71.536 8.041 4.506 1.00 0.00 N ATOM 244 CA LEU A 113 71.332 6.591 4.223 1.00 0.00 C ATOM 245 C LEU A 113 71.910 5.765 5.372 1.00 0.00 C ATOM 246 O LEU A 113 71.237 4.943 5.961 1.00 0.00 O ATOM 247 CB LEU A 113 72.094 6.319 2.924 1.00 0.00 C ATOM 248 CG LEU A 113 71.855 4.874 2.483 1.00 0.00 C ATOM 249 CD1 LEU A 113 70.402 4.712 2.037 1.00 0.00 C ATOM 250 CD2 LEU A 113 72.785 4.534 1.313 1.00 0.00 C ATOM 0 H LEU A 113 72.395 8.441 4.129 1.00 0.00 H new ATOM 0 HA LEU A 113 70.279 6.327 4.127 1.00 0.00 H new ATOM 0 HB2 LEU A 113 71.764 7.007 2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 113 73.160 6.493 3.072 1.00 0.00 H new ATOM 0 HG LEU A 113 72.059 4.203 3.317 1.00 0.00 H new ATOM 0 HD11 LEU A 113 70.231 3.683 1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 113 69.738 4.953 2.867 1.00 0.00 H new ATOM 0 HD13 LEU A 113 70.200 5.384 1.203 1.00 0.00 H new ATOM 0 HD21 LEU A 113 72.614 3.504 1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 113 72.581 5.206 0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 113 73.822 4.650 1.627 1.00 0.00 H new ATOM 262 N LYS A 114 73.152 5.989 5.707 1.00 0.00 N ATOM 263 CA LYS A 114 73.765 5.228 6.831 1.00 0.00 C ATOM 264 C LYS A 114 73.007 5.526 8.124 1.00 0.00 C ATOM 265 O LYS A 114 72.791 4.657 8.944 1.00 0.00 O ATOM 266 CB LYS A 114 75.203 5.736 6.930 1.00 0.00 C ATOM 267 CG LYS A 114 75.889 5.087 8.135 1.00 0.00 C ATOM 268 CD LYS A 114 76.155 6.147 9.207 1.00 0.00 C ATOM 269 CE LYS A 114 77.338 5.708 10.074 1.00 0.00 C ATOM 270 NZ LYS A 114 77.689 6.909 10.882 1.00 0.00 N ATOM 0 H LYS A 114 73.766 6.664 5.252 1.00 0.00 H new ATOM 0 HA LYS A 114 73.730 4.151 6.669 1.00 0.00 H new ATOM 0 HB2 LYS A 114 75.748 5.499 6.016 1.00 0.00 H new ATOM 0 HB3 LYS A 114 75.211 6.821 7.034 1.00 0.00 H new ATOM 0 HG2 LYS A 114 75.260 4.295 8.541 1.00 0.00 H new ATOM 0 HG3 LYS A 114 76.826 4.624 7.827 1.00 0.00 H new ATOM 0 HD2 LYS A 114 76.370 7.108 8.739 1.00 0.00 H new ATOM 0 HD3 LYS A 114 75.268 6.285 9.825 1.00 0.00 H new ATOM 0 HE2 LYS A 114 77.069 4.867 10.713 1.00 0.00 H new ATOM 0 HE3 LYS A 114 78.179 5.385 9.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 78.493 6.687 11.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 77.948 7.691 10.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 76.872 7.189 11.461 1.00 0.00 H new ATOM 284 N ASP A 115 72.598 6.751 8.312 1.00 0.00 N ATOM 285 CA ASP A 115 71.855 7.099 9.554 1.00 0.00 C ATOM 286 C ASP A 115 70.451 6.516 9.502 1.00 0.00 C ATOM 287 O ASP A 115 70.053 5.776 10.379 1.00 0.00 O ATOM 288 CB ASP A 115 71.818 8.626 9.597 1.00 0.00 C ATOM 289 CG ASP A 115 70.797 9.082 10.643 1.00 0.00 C ATOM 290 OD1 ASP A 115 70.869 8.600 11.760 1.00 0.00 O ATOM 291 OD2 ASP A 115 69.963 9.905 10.306 1.00 0.00 O ATOM 0 H ASP A 115 72.746 7.523 7.661 1.00 0.00 H new ATOM 0 HA ASP A 115 72.331 6.693 10.447 1.00 0.00 H new ATOM 0 HB2 ASP A 115 72.805 9.018 9.842 1.00 0.00 H new ATOM 0 HB3 ASP A 115 71.552 9.022 8.617 1.00 0.00 H new ATOM 296 N TYR A 116 69.697 6.807 8.482 1.00 0.00 N ATOM 297 CA TYR A 116 68.340 6.213 8.416 1.00 0.00 C ATOM 298 C TYR A 116 68.469 4.715 8.665 1.00 0.00 C ATOM 299 O TYR A 116 67.578 4.078 9.190 1.00 0.00 O ATOM 300 CB TYR A 116 67.842 6.464 6.999 1.00 0.00 C ATOM 301 CG TYR A 116 66.602 5.634 6.777 1.00 0.00 C ATOM 302 CD1 TYR A 116 65.365 6.111 7.214 1.00 0.00 C ATOM 303 CD2 TYR A 116 66.689 4.388 6.143 1.00 0.00 C ATOM 304 CE1 TYR A 116 64.208 5.347 7.017 1.00 0.00 C ATOM 305 CE2 TYR A 116 65.535 3.623 5.945 1.00 0.00 C ATOM 306 CZ TYR A 116 64.293 4.102 6.380 1.00 0.00 C ATOM 307 OH TYR A 116 63.155 3.345 6.184 1.00 0.00 O ATOM 0 H TYR A 116 69.955 7.418 7.707 1.00 0.00 H new ATOM 0 HA TYR A 116 67.656 6.638 9.151 1.00 0.00 H new ATOM 0 HB2 TYR A 116 67.621 7.522 6.856 1.00 0.00 H new ATOM 0 HB3 TYR A 116 68.611 6.198 6.274 1.00 0.00 H new ATOM 0 HD1 TYR A 116 65.300 7.071 7.705 1.00 0.00 H new ATOM 0 HD2 TYR A 116 67.647 4.018 5.807 1.00 0.00 H new ATOM 0 HE1 TYR A 116 63.252 5.717 7.356 1.00 0.00 H new ATOM 0 HE2 TYR A 116 65.602 2.662 5.456 1.00 0.00 H new ATOM 0 HH TYR A 116 63.392 2.394 6.178 1.00 0.00 H new ATOM 317 N PHE A 117 69.585 4.148 8.284 1.00 0.00 N ATOM 318 CA PHE A 117 69.779 2.692 8.492 1.00 0.00 C ATOM 319 C PHE A 117 70.437 2.411 9.845 1.00 0.00 C ATOM 320 O PHE A 117 70.513 1.282 10.286 1.00 0.00 O ATOM 321 CB PHE A 117 70.643 2.216 7.326 1.00 0.00 C ATOM 322 CG PHE A 117 69.744 1.957 6.141 1.00 0.00 C ATOM 323 CD1 PHE A 117 68.646 1.100 6.281 1.00 0.00 C ATOM 324 CD2 PHE A 117 69.998 2.574 4.909 1.00 0.00 C ATOM 325 CE1 PHE A 117 67.800 0.859 5.193 1.00 0.00 C ATOM 326 CE2 PHE A 117 69.152 2.331 3.820 1.00 0.00 C ATOM 327 CZ PHE A 117 68.054 1.474 3.961 1.00 0.00 C ATOM 0 H PHE A 117 70.365 4.633 7.840 1.00 0.00 H new ATOM 0 HA PHE A 117 68.829 2.158 8.514 1.00 0.00 H new ATOM 0 HB2 PHE A 117 71.391 2.968 7.077 1.00 0.00 H new ATOM 0 HB3 PHE A 117 71.182 1.309 7.599 1.00 0.00 H new ATOM 0 HD1 PHE A 117 68.452 0.624 7.231 1.00 0.00 H new ATOM 0 HD2 PHE A 117 70.845 3.236 4.800 1.00 0.00 H new ATOM 0 HE1 PHE A 117 66.952 0.199 5.303 1.00 0.00 H new ATOM 0 HE2 PHE A 117 69.347 2.806 2.870 1.00 0.00 H new ATOM 0 HZ PHE A 117 67.403 1.287 3.120 1.00 0.00 H new ATOM 337 N SER A 118 70.893 3.424 10.523 1.00 0.00 N ATOM 338 CA SER A 118 71.507 3.191 11.859 1.00 0.00 C ATOM 339 C SER A 118 70.410 2.761 12.835 1.00 0.00 C ATOM 340 O SER A 118 70.674 2.266 13.912 1.00 0.00 O ATOM 341 CB SER A 118 72.097 4.538 12.271 1.00 0.00 C ATOM 342 OG SER A 118 73.446 4.356 12.678 1.00 0.00 O ATOM 0 H SER A 118 70.868 4.396 10.214 1.00 0.00 H new ATOM 0 HA SER A 118 72.270 2.413 11.848 1.00 0.00 H new ATOM 0 HB2 SER A 118 72.048 5.239 11.438 1.00 0.00 H new ATOM 0 HB3 SER A 118 71.515 4.969 13.085 1.00 0.00 H new ATOM 0 HG SER A 118 73.828 5.219 12.941 1.00 0.00 H new ATOM 348 N LYS A 119 69.171 2.948 12.452 1.00 0.00 N ATOM 349 CA LYS A 119 68.038 2.555 13.336 1.00 0.00 C ATOM 350 C LYS A 119 67.880 1.035 13.341 1.00 0.00 C ATOM 351 O LYS A 119 67.273 0.467 14.228 1.00 0.00 O ATOM 352 CB LYS A 119 66.807 3.219 12.718 1.00 0.00 C ATOM 353 CG LYS A 119 65.710 3.347 13.775 1.00 0.00 C ATOM 354 CD LYS A 119 65.238 4.800 13.845 1.00 0.00 C ATOM 355 CE LYS A 119 66.431 5.708 14.155 1.00 0.00 C ATOM 356 NZ LYS A 119 66.416 6.741 13.082 1.00 0.00 N ATOM 0 H LYS A 119 68.898 3.359 11.559 1.00 0.00 H new ATOM 0 HA LYS A 119 68.192 2.863 14.370 1.00 0.00 H new ATOM 0 HB2 LYS A 119 67.068 4.203 12.329 1.00 0.00 H new ATOM 0 HB3 LYS A 119 66.447 2.629 11.875 1.00 0.00 H new ATOM 0 HG2 LYS A 119 64.874 2.693 13.528 1.00 0.00 H new ATOM 0 HG3 LYS A 119 66.087 3.029 14.747 1.00 0.00 H new ATOM 0 HD2 LYS A 119 64.781 5.091 12.899 1.00 0.00 H new ATOM 0 HD3 LYS A 119 64.474 4.909 14.615 1.00 0.00 H new ATOM 0 HE2 LYS A 119 66.336 6.162 15.142 1.00 0.00 H new ATOM 0 HE3 LYS A 119 67.366 5.147 14.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 67.206 7.402 13.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 66.515 6.280 12.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 65.517 7.263 13.115 1.00 0.00 H new ATOM 370 N PHE A 120 68.432 0.368 12.364 1.00 0.00 N ATOM 371 CA PHE A 120 68.321 -1.116 12.325 1.00 0.00 C ATOM 372 C PHE A 120 69.489 -1.727 13.097 1.00 0.00 C ATOM 373 O PHE A 120 69.317 -2.371 14.113 1.00 0.00 O ATOM 374 CB PHE A 120 68.430 -1.497 10.848 1.00 0.00 C ATOM 375 CG PHE A 120 67.373 -0.787 10.032 1.00 0.00 C ATOM 376 CD1 PHE A 120 67.624 0.491 9.524 1.00 0.00 C ATOM 377 CD2 PHE A 120 66.153 -1.419 9.763 1.00 0.00 C ATOM 378 CE1 PHE A 120 66.657 1.143 8.752 1.00 0.00 C ATOM 379 CE2 PHE A 120 65.186 -0.769 8.986 1.00 0.00 C ATOM 380 CZ PHE A 120 65.439 0.512 8.480 1.00 0.00 C ATOM 0 H PHE A 120 68.953 0.786 11.594 1.00 0.00 H new ATOM 0 HA PHE A 120 67.391 -1.471 12.769 1.00 0.00 H new ATOM 0 HB2 PHE A 120 69.420 -1.238 10.473 1.00 0.00 H new ATOM 0 HB3 PHE A 120 68.319 -2.576 10.737 1.00 0.00 H new ATOM 0 HD1 PHE A 120 68.567 0.976 9.728 1.00 0.00 H new ATOM 0 HD2 PHE A 120 65.958 -2.407 10.154 1.00 0.00 H new ATOM 0 HE1 PHE A 120 66.851 2.133 8.366 1.00 0.00 H new ATOM 0 HE2 PHE A 120 64.245 -1.256 8.777 1.00 0.00 H new ATOM 0 HZ PHE A 120 64.694 1.013 7.880 1.00 0.00 H new ATOM 390 N GLY A 121 70.677 -1.516 12.612 1.00 0.00 N ATOM 391 CA GLY A 121 71.884 -2.062 13.290 1.00 0.00 C ATOM 392 C GLY A 121 73.078 -1.163 12.968 1.00 0.00 C ATOM 393 O GLY A 121 72.969 -0.230 12.197 1.00 0.00 O ATOM 0 H GLY A 121 70.867 -0.982 11.764 1.00 0.00 H new ATOM 0 HA2 GLY A 121 71.724 -2.106 14.367 1.00 0.00 H new ATOM 0 HA3 GLY A 121 72.077 -3.081 12.954 1.00 0.00 H new ATOM 397 N GLU A 122 74.215 -1.428 13.546 1.00 0.00 N ATOM 398 CA GLU A 122 75.404 -0.577 13.261 1.00 0.00 C ATOM 399 C GLU A 122 75.884 -0.803 11.826 1.00 0.00 C ATOM 400 O GLU A 122 75.790 -1.890 11.294 1.00 0.00 O ATOM 401 CB GLU A 122 76.466 -1.029 14.264 1.00 0.00 C ATOM 402 CG GLU A 122 76.820 0.137 15.188 1.00 0.00 C ATOM 403 CD GLU A 122 75.989 0.039 16.470 1.00 0.00 C ATOM 404 OE1 GLU A 122 74.774 0.072 16.368 1.00 0.00 O ATOM 405 OE2 GLU A 122 76.583 -0.066 17.530 1.00 0.00 O ATOM 0 H GLU A 122 74.373 -2.194 14.201 1.00 0.00 H new ATOM 0 HA GLU A 122 75.184 0.486 13.356 1.00 0.00 H new ATOM 0 HB2 GLU A 122 76.095 -1.871 14.848 1.00 0.00 H new ATOM 0 HB3 GLU A 122 77.356 -1.374 13.738 1.00 0.00 H new ATOM 0 HG2 GLU A 122 77.883 0.116 15.428 1.00 0.00 H new ATOM 0 HG3 GLU A 122 76.625 1.085 14.687 1.00 0.00 H new ATOM 412 N VAL A 123 76.401 0.217 11.199 1.00 0.00 N ATOM 413 CA VAL A 123 76.895 0.070 9.799 1.00 0.00 C ATOM 414 C VAL A 123 78.361 0.472 9.701 1.00 0.00 C ATOM 415 O VAL A 123 78.764 1.525 10.155 1.00 0.00 O ATOM 416 CB VAL A 123 76.014 1.009 8.956 1.00 0.00 C ATOM 417 CG1 VAL A 123 76.810 1.590 7.780 1.00 0.00 C ATOM 418 CG2 VAL A 123 74.851 0.211 8.383 1.00 0.00 C ATOM 0 H VAL A 123 76.503 1.151 11.597 1.00 0.00 H new ATOM 0 HA VAL A 123 76.833 -0.962 9.453 1.00 0.00 H new ATOM 0 HB VAL A 123 75.663 1.820 9.594 1.00 0.00 H new ATOM 0 HG11 VAL A 123 76.168 2.251 7.197 1.00 0.00 H new ATOM 0 HG12 VAL A 123 77.662 2.154 8.160 1.00 0.00 H new ATOM 0 HG13 VAL A 123 77.166 0.778 7.146 1.00 0.00 H new ATOM 0 HG21 VAL A 123 74.220 0.867 7.784 1.00 0.00 H new ATOM 0 HG22 VAL A 123 75.236 -0.594 7.757 1.00 0.00 H new ATOM 0 HG23 VAL A 123 74.264 -0.212 9.198 1.00 0.00 H new ATOM 428 N VAL A 124 79.148 -0.343 9.070 1.00 0.00 N ATOM 429 CA VAL A 124 80.574 0.006 8.893 1.00 0.00 C ATOM 430 C VAL A 124 80.698 0.796 7.599 1.00 0.00 C ATOM 431 O VAL A 124 81.625 1.557 7.406 1.00 0.00 O ATOM 432 CB VAL A 124 81.316 -1.333 8.782 1.00 0.00 C ATOM 433 CG1 VAL A 124 82.560 -1.175 7.893 1.00 0.00 C ATOM 434 CG2 VAL A 124 81.746 -1.791 10.177 1.00 0.00 C ATOM 0 H VAL A 124 78.864 -1.237 8.669 1.00 0.00 H new ATOM 0 HA VAL A 124 80.980 0.604 9.709 1.00 0.00 H new ATOM 0 HB VAL A 124 80.651 -2.073 8.337 1.00 0.00 H new ATOM 0 HG11 VAL A 124 83.079 -2.131 7.821 1.00 0.00 H new ATOM 0 HG12 VAL A 124 82.257 -0.850 6.898 1.00 0.00 H new ATOM 0 HG13 VAL A 124 83.227 -0.432 8.329 1.00 0.00 H new ATOM 0 HG21 VAL A 124 82.273 -2.742 10.101 1.00 0.00 H new ATOM 0 HG22 VAL A 124 82.406 -1.044 10.618 1.00 0.00 H new ATOM 0 HG23 VAL A 124 80.865 -1.914 10.807 1.00 0.00 H new ATOM 444 N ASP A 125 79.772 0.606 6.697 1.00 0.00 N ATOM 445 CA ASP A 125 79.864 1.341 5.414 1.00 0.00 C ATOM 446 C ASP A 125 78.486 1.725 4.865 1.00 0.00 C ATOM 447 O ASP A 125 77.471 1.164 5.227 1.00 0.00 O ATOM 448 CB ASP A 125 80.574 0.382 4.460 1.00 0.00 C ATOM 449 CG ASP A 125 82.051 0.765 4.357 1.00 0.00 C ATOM 450 OD1 ASP A 125 82.324 1.919 4.068 1.00 0.00 O ATOM 451 OD2 ASP A 125 82.884 -0.101 4.569 1.00 0.00 O ATOM 0 H ASP A 125 78.970 -0.017 6.795 1.00 0.00 H new ATOM 0 HA ASP A 125 80.399 2.282 5.540 1.00 0.00 H new ATOM 0 HB2 ASP A 125 80.477 -0.643 4.819 1.00 0.00 H new ATOM 0 HB3 ASP A 125 80.108 0.420 3.475 1.00 0.00 H new ATOM 456 N CYS A 126 78.465 2.686 3.979 1.00 0.00 N ATOM 457 CA CYS A 126 77.186 3.143 3.362 1.00 0.00 C ATOM 458 C CYS A 126 77.503 4.076 2.197 1.00 0.00 C ATOM 459 O CYS A 126 78.129 5.104 2.360 1.00 0.00 O ATOM 460 CB CYS A 126 76.442 3.889 4.470 1.00 0.00 C ATOM 461 SG CYS A 126 74.756 4.255 3.920 1.00 0.00 S ATOM 0 H CYS A 126 79.295 3.181 3.652 1.00 0.00 H new ATOM 0 HA CYS A 126 76.586 2.320 2.973 1.00 0.00 H new ATOM 0 HB2 CYS A 126 76.418 3.285 5.377 1.00 0.00 H new ATOM 0 HB3 CYS A 126 76.965 4.813 4.716 1.00 0.00 H new ATOM 0 HG CYS A 126 74.377 3.360 3.057 1.00 0.00 H new ATOM 467 N THR A 127 77.099 3.707 1.019 1.00 0.00 N ATOM 468 CA THR A 127 77.399 4.549 -0.168 1.00 0.00 C ATOM 469 C THR A 127 76.103 5.037 -0.833 1.00 0.00 C ATOM 470 O THR A 127 75.026 4.546 -0.560 1.00 0.00 O ATOM 471 CB THR A 127 78.195 3.602 -1.080 1.00 0.00 C ATOM 472 OG1 THR A 127 79.578 3.911 -0.984 1.00 0.00 O ATOM 473 CG2 THR A 127 77.745 3.744 -2.530 1.00 0.00 C ATOM 0 H THR A 127 76.572 2.856 0.825 1.00 0.00 H new ATOM 0 HA THR A 127 77.953 5.457 0.071 1.00 0.00 H new ATOM 0 HB THR A 127 78.017 2.576 -0.759 1.00 0.00 H new ATOM 0 HG1 THR A 127 80.089 3.308 -1.563 1.00 0.00 H new ATOM 0 HG21 THR A 127 78.321 3.065 -3.158 1.00 0.00 H new ATOM 0 HG22 THR A 127 76.686 3.499 -2.608 1.00 0.00 H new ATOM 0 HG23 THR A 127 77.906 4.770 -2.862 1.00 0.00 H new ATOM 481 N LEU A 128 76.213 5.994 -1.716 1.00 0.00 N ATOM 482 CA LEU A 128 75.007 6.514 -2.420 1.00 0.00 C ATOM 483 C LEU A 128 75.381 6.937 -3.842 1.00 0.00 C ATOM 484 O LEU A 128 76.282 7.724 -4.052 1.00 0.00 O ATOM 485 CB LEU A 128 74.534 7.721 -1.590 1.00 0.00 C ATOM 486 CG LEU A 128 73.553 8.604 -2.387 1.00 0.00 C ATOM 487 CD1 LEU A 128 74.325 9.684 -3.152 1.00 0.00 C ATOM 488 CD2 LEU A 128 72.740 7.762 -3.380 1.00 0.00 C ATOM 0 H LEU A 128 77.092 6.439 -1.980 1.00 0.00 H new ATOM 0 HA LEU A 128 74.221 5.764 -2.507 1.00 0.00 H new ATOM 0 HB2 LEU A 128 74.051 7.370 -0.678 1.00 0.00 H new ATOM 0 HB3 LEU A 128 75.396 8.315 -1.286 1.00 0.00 H new ATOM 0 HG LEU A 128 72.867 9.072 -1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 128 73.625 10.304 -3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 128 74.876 10.306 -2.447 1.00 0.00 H new ATOM 0 HD13 LEU A 128 75.024 9.212 -3.842 1.00 0.00 H new ATOM 0 HD21 LEU A 128 72.056 8.408 -3.930 1.00 0.00 H new ATOM 0 HD22 LEU A 128 73.416 7.271 -4.080 1.00 0.00 H new ATOM 0 HD23 LEU A 128 72.170 7.008 -2.837 1.00 0.00 H new ATOM 673 N PHE A 140 70.457 5.376 -6.781 1.00 0.00 N ATOM 674 CA PHE A 140 70.611 4.163 -5.916 1.00 0.00 C ATOM 675 C PHE A 140 71.919 4.190 -5.124 1.00 0.00 C ATOM 676 O PHE A 140 72.930 4.680 -5.582 1.00 0.00 O ATOM 677 CB PHE A 140 70.565 2.967 -6.870 1.00 0.00 C ATOM 678 CG PHE A 140 71.894 2.794 -7.576 1.00 0.00 C ATOM 679 CD1 PHE A 140 72.182 3.545 -8.722 1.00 0.00 C ATOM 680 CD2 PHE A 140 72.828 1.869 -7.094 1.00 0.00 C ATOM 681 CE1 PHE A 140 73.405 3.371 -9.383 1.00 0.00 C ATOM 682 CE2 PHE A 140 74.053 1.698 -7.757 1.00 0.00 C ATOM 683 CZ PHE A 140 74.338 2.449 -8.900 1.00 0.00 C ATOM 0 HA PHE A 140 69.820 4.112 -5.168 1.00 0.00 H new ATOM 0 HB2 PHE A 140 70.322 2.061 -6.314 1.00 0.00 H new ATOM 0 HB3 PHE A 140 69.773 3.112 -7.605 1.00 0.00 H new ATOM 0 HD1 PHE A 140 71.462 4.258 -9.096 1.00 0.00 H new ATOM 0 HD2 PHE A 140 72.606 1.287 -6.212 1.00 0.00 H new ATOM 0 HE1 PHE A 140 73.627 3.950 -10.267 1.00 0.00 H new ATOM 0 HE2 PHE A 140 74.775 0.986 -7.384 1.00 0.00 H new ATOM 0 HZ PHE A 140 75.280 2.317 -9.411 1.00 0.00 H new ATOM 693 N GLY A 141 71.893 3.660 -3.926 1.00 0.00 N ATOM 694 CA GLY A 141 73.118 3.641 -3.075 1.00 0.00 C ATOM 695 C GLY A 141 73.269 2.262 -2.421 1.00 0.00 C ATOM 696 O GLY A 141 72.467 1.375 -2.637 1.00 0.00 O ATOM 0 H GLY A 141 71.068 3.237 -3.500 1.00 0.00 H new ATOM 0 HA2 GLY A 141 73.997 3.866 -3.680 1.00 0.00 H new ATOM 0 HA3 GLY A 141 73.052 4.413 -2.308 1.00 0.00 H new ATOM 700 N PHE A 142 74.289 2.072 -1.624 1.00 0.00 N ATOM 701 CA PHE A 142 74.485 0.744 -0.963 1.00 0.00 C ATOM 702 C PHE A 142 74.539 0.898 0.559 1.00 0.00 C ATOM 703 O PHE A 142 74.682 1.986 1.081 1.00 0.00 O ATOM 704 CB PHE A 142 75.832 0.230 -1.475 1.00 0.00 C ATOM 705 CG PHE A 142 75.645 -0.485 -2.787 1.00 0.00 C ATOM 706 CD1 PHE A 142 75.099 0.192 -3.882 1.00 0.00 C ATOM 707 CD2 PHE A 142 76.021 -1.828 -2.910 1.00 0.00 C ATOM 708 CE1 PHE A 142 74.929 -0.473 -5.098 1.00 0.00 C ATOM 709 CE2 PHE A 142 75.852 -2.491 -4.130 1.00 0.00 C ATOM 710 CZ PHE A 142 75.305 -1.811 -5.224 1.00 0.00 C ATOM 0 H PHE A 142 74.993 2.776 -1.402 1.00 0.00 H new ATOM 0 HA PHE A 142 73.665 0.063 -1.191 1.00 0.00 H new ATOM 0 HB2 PHE A 142 76.524 1.062 -1.600 1.00 0.00 H new ATOM 0 HB3 PHE A 142 76.275 -0.445 -0.743 1.00 0.00 H new ATOM 0 HD1 PHE A 142 74.809 1.228 -3.787 1.00 0.00 H new ATOM 0 HD2 PHE A 142 76.441 -2.351 -2.064 1.00 0.00 H new ATOM 0 HE1 PHE A 142 74.505 0.049 -5.943 1.00 0.00 H new ATOM 0 HE2 PHE A 142 76.143 -3.526 -4.228 1.00 0.00 H new ATOM 0 HZ PHE A 142 75.174 -2.322 -6.166 1.00 0.00 H new ATOM 720 N VAL A 143 74.446 -0.192 1.273 1.00 0.00 N ATOM 721 CA VAL A 143 74.516 -0.125 2.761 1.00 0.00 C ATOM 722 C VAL A 143 75.276 -1.339 3.290 1.00 0.00 C ATOM 723 O VAL A 143 75.053 -2.459 2.874 1.00 0.00 O ATOM 724 CB VAL A 143 73.060 -0.125 3.247 1.00 0.00 C ATOM 725 CG1 VAL A 143 72.987 -0.635 4.691 1.00 0.00 C ATOM 726 CG2 VAL A 143 72.514 1.305 3.192 1.00 0.00 C ATOM 0 H VAL A 143 74.324 -1.129 0.888 1.00 0.00 H new ATOM 0 HA VAL A 143 75.042 0.762 3.115 1.00 0.00 H new ATOM 0 HB VAL A 143 72.468 -0.778 2.606 1.00 0.00 H new ATOM 0 HG11 VAL A 143 71.950 -0.631 5.026 1.00 0.00 H new ATOM 0 HG12 VAL A 143 73.380 -1.651 4.738 1.00 0.00 H new ATOM 0 HG13 VAL A 143 73.579 0.014 5.336 1.00 0.00 H new ATOM 0 HG21 VAL A 143 71.480 1.313 3.536 1.00 0.00 H new ATOM 0 HG22 VAL A 143 73.115 1.949 3.834 1.00 0.00 H new ATOM 0 HG23 VAL A 143 72.558 1.672 2.167 1.00 0.00 H new ATOM 736 N LEU A 144 76.180 -1.121 4.198 1.00 0.00 N ATOM 737 CA LEU A 144 76.968 -2.250 4.754 1.00 0.00 C ATOM 738 C LEU A 144 76.760 -2.331 6.266 1.00 0.00 C ATOM 739 O LEU A 144 77.303 -1.549 7.021 1.00 0.00 O ATOM 740 CB LEU A 144 78.412 -1.901 4.412 1.00 0.00 C ATOM 741 CG LEU A 144 78.847 -2.695 3.180 1.00 0.00 C ATOM 742 CD1 LEU A 144 78.098 -2.179 1.947 1.00 0.00 C ATOM 743 CD2 LEU A 144 80.352 -2.525 2.967 1.00 0.00 C ATOM 0 H LEU A 144 76.408 -0.204 4.581 1.00 0.00 H new ATOM 0 HA LEU A 144 76.678 -3.220 4.350 1.00 0.00 H new ATOM 0 HB2 LEU A 144 78.504 -0.832 4.221 1.00 0.00 H new ATOM 0 HB3 LEU A 144 79.063 -2.131 5.255 1.00 0.00 H new ATOM 0 HG LEU A 144 78.617 -3.750 3.331 1.00 0.00 H new ATOM 0 HD11 LEU A 144 78.409 -2.745 1.069 1.00 0.00 H new ATOM 0 HD12 LEU A 144 77.025 -2.300 2.096 1.00 0.00 H new ATOM 0 HD13 LEU A 144 78.327 -1.124 1.798 1.00 0.00 H new ATOM 0 HD21 LEU A 144 80.661 -3.091 2.089 1.00 0.00 H new ATOM 0 HD22 LEU A 144 80.581 -1.470 2.818 1.00 0.00 H new ATOM 0 HD23 LEU A 144 80.887 -2.892 3.843 1.00 0.00 H new ATOM 755 N PHE A 145 75.966 -3.266 6.710 1.00 0.00 N ATOM 756 CA PHE A 145 75.709 -3.392 8.170 1.00 0.00 C ATOM 757 C PHE A 145 76.887 -4.064 8.875 1.00 0.00 C ATOM 758 O PHE A 145 77.791 -4.581 8.248 1.00 0.00 O ATOM 759 CB PHE A 145 74.453 -4.252 8.280 1.00 0.00 C ATOM 760 CG PHE A 145 73.236 -3.365 8.174 1.00 0.00 C ATOM 761 CD1 PHE A 145 72.993 -2.391 9.149 1.00 0.00 C ATOM 762 CD2 PHE A 145 72.356 -3.513 7.097 1.00 0.00 C ATOM 763 CE1 PHE A 145 71.869 -1.563 9.046 1.00 0.00 C ATOM 764 CE2 PHE A 145 71.231 -2.686 6.995 1.00 0.00 C ATOM 765 CZ PHE A 145 70.988 -1.711 7.969 1.00 0.00 C ATOM 0 H PHE A 145 75.484 -3.948 6.124 1.00 0.00 H new ATOM 0 HA PHE A 145 75.581 -2.419 8.645 1.00 0.00 H new ATOM 0 HB2 PHE A 145 74.441 -5.003 7.490 1.00 0.00 H new ATOM 0 HB3 PHE A 145 74.446 -4.788 9.229 1.00 0.00 H new ATOM 0 HD1 PHE A 145 73.673 -2.278 9.981 1.00 0.00 H new ATOM 0 HD2 PHE A 145 72.544 -4.265 6.345 1.00 0.00 H new ATOM 0 HE1 PHE A 145 71.682 -0.810 9.797 1.00 0.00 H new ATOM 0 HE2 PHE A 145 70.550 -2.801 6.164 1.00 0.00 H new ATOM 0 HZ PHE A 145 70.120 -1.073 7.889 1.00 0.00 H new ATOM 775 N LYS A 146 76.881 -4.045 10.177 1.00 0.00 N ATOM 776 CA LYS A 146 77.998 -4.665 10.945 1.00 0.00 C ATOM 777 C LYS A 146 77.774 -6.172 11.123 1.00 0.00 C ATOM 778 O LYS A 146 78.714 -6.941 11.163 1.00 0.00 O ATOM 779 CB LYS A 146 77.976 -3.955 12.299 1.00 0.00 C ATOM 780 CG LYS A 146 79.148 -4.443 13.153 1.00 0.00 C ATOM 781 CD LYS A 146 80.415 -3.676 12.765 1.00 0.00 C ATOM 782 CE LYS A 146 81.393 -3.675 13.940 1.00 0.00 C ATOM 783 NZ LYS A 146 82.295 -4.834 13.688 1.00 0.00 N ATOM 0 H LYS A 146 76.147 -3.625 10.747 1.00 0.00 H new ATOM 0 HA LYS A 146 78.955 -4.558 10.434 1.00 0.00 H new ATOM 0 HB2 LYS A 146 78.041 -2.876 12.157 1.00 0.00 H new ATOM 0 HB3 LYS A 146 77.034 -4.153 12.810 1.00 0.00 H new ATOM 0 HG2 LYS A 146 78.929 -4.294 14.210 1.00 0.00 H new ATOM 0 HG3 LYS A 146 79.298 -5.513 13.007 1.00 0.00 H new ATOM 0 HD2 LYS A 146 80.879 -4.137 11.893 1.00 0.00 H new ATOM 0 HD3 LYS A 146 80.162 -2.653 12.488 1.00 0.00 H new ATOM 0 HE2 LYS A 146 81.953 -2.741 13.987 1.00 0.00 H new ATOM 0 HE3 LYS A 146 80.869 -3.781 14.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 82.996 -4.901 14.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 81.734 -5.709 13.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 82.785 -4.702 12.780 1.00 0.00 H new ATOM 797 N GLU A 147 76.546 -6.609 11.232 1.00 0.00 N ATOM 798 CA GLU A 147 76.301 -8.070 11.409 1.00 0.00 C ATOM 799 C GLU A 147 75.151 -8.536 10.513 1.00 0.00 C ATOM 800 O GLU A 147 74.324 -7.755 10.084 1.00 0.00 O ATOM 801 CB GLU A 147 75.937 -8.245 12.887 1.00 0.00 C ATOM 802 CG GLU A 147 74.974 -7.139 13.319 1.00 0.00 C ATOM 803 CD GLU A 147 73.823 -7.749 14.122 1.00 0.00 C ATOM 804 OE1 GLU A 147 73.985 -8.857 14.603 1.00 0.00 O ATOM 805 OE2 GLU A 147 72.799 -7.097 14.239 1.00 0.00 O ATOM 0 H GLU A 147 75.711 -6.024 11.206 1.00 0.00 H new ATOM 0 HA GLU A 147 77.173 -8.663 11.133 1.00 0.00 H new ATOM 0 HB2 GLU A 147 75.478 -9.221 13.045 1.00 0.00 H new ATOM 0 HB3 GLU A 147 76.839 -8.214 13.499 1.00 0.00 H new ATOM 0 HG2 GLU A 147 75.500 -6.399 13.922 1.00 0.00 H new ATOM 0 HG3 GLU A 147 74.585 -6.618 12.444 1.00 0.00 H new ATOM 812 N SER A 148 75.095 -9.809 10.226 1.00 0.00 N ATOM 813 CA SER A 148 74.002 -10.334 9.359 1.00 0.00 C ATOM 814 C SER A 148 72.644 -10.113 10.026 1.00 0.00 C ATOM 815 O SER A 148 71.643 -9.916 9.367 1.00 0.00 O ATOM 816 CB SER A 148 74.295 -11.827 9.221 1.00 0.00 C ATOM 817 OG SER A 148 75.095 -12.251 10.316 1.00 0.00 O ATOM 0 H SER A 148 75.760 -10.509 10.555 1.00 0.00 H new ATOM 0 HA SER A 148 73.964 -9.833 8.392 1.00 0.00 H new ATOM 0 HB2 SER A 148 73.363 -12.392 9.196 1.00 0.00 H new ATOM 0 HB3 SER A 148 74.811 -12.023 8.281 1.00 0.00 H new ATOM 0 HG SER A 148 75.284 -13.209 10.232 1.00 0.00 H new ATOM 823 N GLU A 149 72.600 -10.143 11.329 1.00 0.00 N ATOM 824 CA GLU A 149 71.302 -9.933 12.029 1.00 0.00 C ATOM 825 C GLU A 149 70.754 -8.539 11.713 1.00 0.00 C ATOM 826 O GLU A 149 69.587 -8.372 11.419 1.00 0.00 O ATOM 827 CB GLU A 149 71.627 -10.057 13.516 1.00 0.00 C ATOM 828 CG GLU A 149 70.726 -11.120 14.145 1.00 0.00 C ATOM 829 CD GLU A 149 69.968 -10.513 15.326 1.00 0.00 C ATOM 830 OE1 GLU A 149 69.361 -9.471 15.142 1.00 0.00 O ATOM 831 OE2 GLU A 149 70.006 -11.100 16.395 1.00 0.00 O ATOM 0 H GLU A 149 73.403 -10.303 11.937 1.00 0.00 H new ATOM 0 HA GLU A 149 70.544 -10.652 11.719 1.00 0.00 H new ATOM 0 HB2 GLU A 149 72.675 -10.327 13.649 1.00 0.00 H new ATOM 0 HB3 GLU A 149 71.479 -9.098 14.013 1.00 0.00 H new ATOM 0 HG2 GLU A 149 70.022 -11.500 13.404 1.00 0.00 H new ATOM 0 HG3 GLU A 149 71.324 -11.967 14.480 1.00 0.00 H new ATOM 838 N SER A 150 71.588 -7.538 11.776 1.00 0.00 N ATOM 839 CA SER A 150 71.116 -6.154 11.481 1.00 0.00 C ATOM 840 C SER A 150 70.651 -6.050 10.024 1.00 0.00 C ATOM 841 O SER A 150 69.655 -5.415 9.723 1.00 0.00 O ATOM 842 CB SER A 150 72.333 -5.258 11.727 1.00 0.00 C ATOM 843 OG SER A 150 73.436 -5.733 10.964 1.00 0.00 O ATOM 0 H SER A 150 72.575 -7.617 12.019 1.00 0.00 H new ATOM 0 HA SER A 150 70.268 -5.866 12.102 1.00 0.00 H new ATOM 0 HB2 SER A 150 72.102 -4.229 11.450 1.00 0.00 H new ATOM 0 HB3 SER A 150 72.586 -5.254 12.787 1.00 0.00 H new ATOM 0 HG SER A 150 73.291 -6.674 10.731 1.00 0.00 H new ATOM 849 N VAL A 151 71.355 -6.671 9.116 1.00 0.00 N ATOM 850 CA VAL A 151 70.939 -6.603 7.684 1.00 0.00 C ATOM 851 C VAL A 151 69.538 -7.196 7.522 1.00 0.00 C ATOM 852 O VAL A 151 68.622 -6.532 7.080 1.00 0.00 O ATOM 853 CB VAL A 151 71.970 -7.433 6.919 1.00 0.00 C ATOM 854 CG1 VAL A 151 71.848 -7.132 5.424 1.00 0.00 C ATOM 855 CG2 VAL A 151 73.379 -7.070 7.394 1.00 0.00 C ATOM 0 H VAL A 151 72.195 -7.219 9.301 1.00 0.00 H new ATOM 0 HA VAL A 151 70.900 -5.579 7.314 1.00 0.00 H new ATOM 0 HB VAL A 151 71.789 -8.493 7.100 1.00 0.00 H new ATOM 0 HG11 VAL A 151 72.581 -7.721 4.873 1.00 0.00 H new ATOM 0 HG12 VAL A 151 70.845 -7.388 5.082 1.00 0.00 H new ATOM 0 HG13 VAL A 151 72.031 -6.072 5.250 1.00 0.00 H new ATOM 0 HG21 VAL A 151 74.112 -7.663 6.847 1.00 0.00 H new ATOM 0 HG22 VAL A 151 73.562 -6.011 7.214 1.00 0.00 H new ATOM 0 HG23 VAL A 151 73.468 -7.277 8.460 1.00 0.00 H new ATOM 865 N ASP A 152 69.358 -8.438 7.883 1.00 0.00 N ATOM 866 CA ASP A 152 68.008 -9.054 7.751 1.00 0.00 C ATOM 867 C ASP A 152 66.973 -8.170 8.455 1.00 0.00 C ATOM 868 O ASP A 152 65.890 -7.949 7.958 1.00 0.00 O ATOM 869 CB ASP A 152 68.125 -10.428 8.425 1.00 0.00 C ATOM 870 CG ASP A 152 67.887 -10.305 9.933 1.00 0.00 C ATOM 871 OD1 ASP A 152 66.752 -10.069 10.316 1.00 0.00 O ATOM 872 OD2 ASP A 152 68.839 -10.451 10.676 1.00 0.00 O ATOM 0 H ASP A 152 70.082 -9.049 8.261 1.00 0.00 H new ATOM 0 HA ASP A 152 67.686 -9.154 6.715 1.00 0.00 H new ATOM 0 HB2 ASP A 152 67.400 -11.116 7.991 1.00 0.00 H new ATOM 0 HB3 ASP A 152 69.114 -10.848 8.239 1.00 0.00 H new ATOM 877 N LYS A 153 67.308 -7.658 9.608 1.00 0.00 N ATOM 878 CA LYS A 153 66.352 -6.782 10.342 1.00 0.00 C ATOM 879 C LYS A 153 65.851 -5.670 9.416 1.00 0.00 C ATOM 880 O LYS A 153 64.711 -5.258 9.483 1.00 0.00 O ATOM 881 CB LYS A 153 67.165 -6.197 11.498 1.00 0.00 C ATOM 882 CG LYS A 153 66.223 -5.770 12.626 1.00 0.00 C ATOM 883 CD LYS A 153 67.026 -5.056 13.716 1.00 0.00 C ATOM 884 CE LYS A 153 66.154 -4.877 14.961 1.00 0.00 C ATOM 885 NZ LYS A 153 66.945 -5.476 16.072 1.00 0.00 N ATOM 0 H LYS A 153 68.203 -7.809 10.073 1.00 0.00 H new ATOM 0 HA LYS A 153 65.474 -7.322 10.696 1.00 0.00 H new ATOM 0 HB2 LYS A 153 67.877 -6.936 11.866 1.00 0.00 H new ATOM 0 HB3 LYS A 153 67.745 -5.341 11.151 1.00 0.00 H new ATOM 0 HG2 LYS A 153 65.449 -5.109 12.237 1.00 0.00 H new ATOM 0 HG3 LYS A 153 65.718 -6.642 13.043 1.00 0.00 H new ATOM 0 HD2 LYS A 153 67.917 -5.634 13.963 1.00 0.00 H new ATOM 0 HD3 LYS A 153 67.366 -4.085 13.355 1.00 0.00 H new ATOM 0 HE2 LYS A 153 65.944 -3.824 15.148 1.00 0.00 H new ATOM 0 HE3 LYS A 153 65.193 -5.378 14.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 66.413 -5.392 16.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 67.124 -6.480 15.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 67.852 -4.975 16.162 1.00 0.00 H new ATOM 899 N VAL A 154 66.700 -5.179 8.553 1.00 0.00 N ATOM 900 CA VAL A 154 66.275 -4.090 7.621 1.00 0.00 C ATOM 901 C VAL A 154 65.542 -4.678 6.412 1.00 0.00 C ATOM 902 O VAL A 154 64.775 -4.004 5.750 1.00 0.00 O ATOM 903 CB VAL A 154 67.574 -3.412 7.178 1.00 0.00 C ATOM 904 CG1 VAL A 154 67.258 -2.049 6.557 1.00 0.00 C ATOM 905 CG2 VAL A 154 68.493 -3.215 8.387 1.00 0.00 C ATOM 0 H VAL A 154 67.668 -5.483 8.452 1.00 0.00 H new ATOM 0 HA VAL A 154 65.590 -3.389 8.098 1.00 0.00 H new ATOM 0 HB VAL A 154 68.072 -4.042 6.441 1.00 0.00 H new ATOM 0 HG11 VAL A 154 68.185 -1.569 6.243 1.00 0.00 H new ATOM 0 HG12 VAL A 154 66.608 -2.185 5.692 1.00 0.00 H new ATOM 0 HG13 VAL A 154 66.756 -1.421 7.293 1.00 0.00 H new ATOM 0 HG21 VAL A 154 69.416 -2.732 8.067 1.00 0.00 H new ATOM 0 HG22 VAL A 154 67.993 -2.589 9.126 1.00 0.00 H new ATOM 0 HG23 VAL A 154 68.725 -4.184 8.830 1.00 0.00 H new ATOM 915 N MET A 155 65.773 -5.928 6.118 1.00 0.00 N ATOM 916 CA MET A 155 65.097 -6.562 4.950 1.00 0.00 C ATOM 917 C MET A 155 63.723 -7.103 5.358 1.00 0.00 C ATOM 918 O MET A 155 62.837 -7.252 4.540 1.00 0.00 O ATOM 919 CB MET A 155 66.024 -7.706 4.534 1.00 0.00 C ATOM 920 CG MET A 155 65.680 -8.154 3.112 1.00 0.00 C ATOM 921 SD MET A 155 64.735 -9.697 3.177 1.00 0.00 S ATOM 922 CE MET A 155 66.147 -10.828 3.226 1.00 0.00 C ATOM 0 H MET A 155 66.403 -6.540 6.638 1.00 0.00 H new ATOM 0 HA MET A 155 64.927 -5.856 4.137 1.00 0.00 H new ATOM 0 HB2 MET A 155 67.063 -7.381 4.582 1.00 0.00 H new ATOM 0 HB3 MET A 155 65.919 -8.542 5.225 1.00 0.00 H new ATOM 0 HG2 MET A 155 65.101 -7.382 2.606 1.00 0.00 H new ATOM 0 HG3 MET A 155 66.593 -8.298 2.534 1.00 0.00 H new ATOM 0 HE1 MET A 155 65.788 -11.856 3.269 1.00 0.00 H new ATOM 0 HE2 MET A 155 66.753 -10.693 2.330 1.00 0.00 H new ATOM 0 HE3 MET A 155 66.752 -10.617 4.108 1.00 0.00 H new ATOM 932 N ASP A 156 63.538 -7.399 6.616 1.00 0.00 N ATOM 933 CA ASP A 156 62.220 -7.931 7.068 1.00 0.00 C ATOM 934 C ASP A 156 61.136 -6.864 6.903 1.00 0.00 C ATOM 935 O ASP A 156 59.957 -7.146 6.979 1.00 0.00 O ATOM 936 CB ASP A 156 62.413 -8.282 8.546 1.00 0.00 C ATOM 937 CG ASP A 156 62.807 -7.029 9.330 1.00 0.00 C ATOM 938 OD1 ASP A 156 62.577 -5.942 8.829 1.00 0.00 O ATOM 939 OD2 ASP A 156 63.332 -7.178 10.421 1.00 0.00 O ATOM 0 H ASP A 156 64.240 -7.296 7.349 1.00 0.00 H new ATOM 0 HA ASP A 156 61.904 -8.797 6.486 1.00 0.00 H new ATOM 0 HB2 ASP A 156 61.493 -8.702 8.952 1.00 0.00 H new ATOM 0 HB3 ASP A 156 63.185 -9.045 8.650 1.00 0.00 H new ATOM 944 N GLN A 157 61.525 -5.641 6.674 1.00 0.00 N ATOM 945 CA GLN A 157 60.515 -4.560 6.498 1.00 0.00 C ATOM 946 C GLN A 157 60.984 -3.583 5.419 1.00 0.00 C ATOM 947 O GLN A 157 61.639 -2.602 5.702 1.00 0.00 O ATOM 948 CB GLN A 157 60.439 -3.866 7.860 1.00 0.00 C ATOM 949 CG GLN A 157 59.233 -2.924 7.889 1.00 0.00 C ATOM 950 CD GLN A 157 58.831 -2.656 9.340 1.00 0.00 C ATOM 951 OE1 GLN A 157 57.661 -2.663 9.670 1.00 0.00 O ATOM 952 NE2 GLN A 157 59.757 -2.417 10.228 1.00 0.00 N ATOM 0 H GLN A 157 62.498 -5.343 6.601 1.00 0.00 H new ATOM 0 HA GLN A 157 59.543 -4.941 6.184 1.00 0.00 H new ATOM 0 HB2 GLN A 157 60.353 -4.608 8.653 1.00 0.00 H new ATOM 0 HB3 GLN A 157 61.355 -3.306 8.046 1.00 0.00 H new ATOM 0 HG2 GLN A 157 59.478 -1.987 7.389 1.00 0.00 H new ATOM 0 HG3 GLN A 157 58.399 -3.367 7.345 1.00 0.00 H new ATOM 0 HE21 GLN A 157 60.739 -2.411 9.952 1.00 0.00 H new ATOM 0 HE22 GLN A 157 59.499 -2.236 11.198 1.00 0.00 H new ATOM 961 N LYS A 158 60.662 -3.850 4.181 1.00 0.00 N ATOM 962 CA LYS A 158 61.099 -2.937 3.084 1.00 0.00 C ATOM 963 C LYS A 158 60.097 -1.805 2.898 1.00 0.00 C ATOM 964 O LYS A 158 60.087 -1.128 1.890 1.00 0.00 O ATOM 965 CB LYS A 158 61.182 -3.815 1.834 1.00 0.00 C ATOM 966 CG LYS A 158 59.776 -4.073 1.290 1.00 0.00 C ATOM 967 CD LYS A 158 59.575 -3.276 -0.001 1.00 0.00 C ATOM 968 CE LYS A 158 58.226 -2.557 0.045 1.00 0.00 C ATOM 969 NZ LYS A 158 57.210 -3.645 0.025 1.00 0.00 N ATOM 0 H LYS A 158 60.117 -4.659 3.882 1.00 0.00 H new ATOM 0 HA LYS A 158 62.057 -2.464 3.302 1.00 0.00 H new ATOM 0 HB2 LYS A 158 61.792 -3.326 1.074 1.00 0.00 H new ATOM 0 HB3 LYS A 158 61.669 -4.760 2.074 1.00 0.00 H new ATOM 0 HG2 LYS A 158 59.638 -5.137 1.098 1.00 0.00 H new ATOM 0 HG3 LYS A 158 59.029 -3.783 2.029 1.00 0.00 H new ATOM 0 HD2 LYS A 158 60.381 -2.552 -0.122 1.00 0.00 H new ATOM 0 HD3 LYS A 158 59.614 -3.943 -0.862 1.00 0.00 H new ATOM 0 HE2 LYS A 158 58.134 -1.947 0.944 1.00 0.00 H new ATOM 0 HE3 LYS A 158 58.106 -1.888 -0.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 56.294 -3.259 -0.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 57.512 -4.390 -0.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 57.113 -4.047 0.979 1.00 0.00 H new ATOM 983 N GLU A 159 59.290 -1.559 3.885 1.00 0.00 N ATOM 984 CA GLU A 159 58.338 -0.431 3.785 1.00 0.00 C ATOM 985 C GLU A 159 59.074 0.789 4.298 1.00 0.00 C ATOM 986 O GLU A 159 58.700 1.413 5.272 1.00 0.00 O ATOM 987 CB GLU A 159 57.192 -0.785 4.712 1.00 0.00 C ATOM 988 CG GLU A 159 56.073 -1.461 3.918 1.00 0.00 C ATOM 989 CD GLU A 159 54.983 -0.437 3.597 1.00 0.00 C ATOM 990 OE1 GLU A 159 54.284 -0.038 4.514 1.00 0.00 O ATOM 991 OE2 GLU A 159 54.865 -0.070 2.439 1.00 0.00 O ATOM 0 H GLU A 159 59.250 -2.090 4.755 1.00 0.00 H new ATOM 0 HA GLU A 159 57.968 -0.243 2.777 1.00 0.00 H new ATOM 0 HB2 GLU A 159 57.543 -1.450 5.501 1.00 0.00 H new ATOM 0 HB3 GLU A 159 56.814 0.115 5.197 1.00 0.00 H new ATOM 0 HG2 GLU A 159 56.472 -1.884 2.996 1.00 0.00 H new ATOM 0 HG3 GLU A 159 55.653 -2.287 4.492 1.00 0.00 H new ATOM 998 N HIS A 160 60.157 1.086 3.659 1.00 0.00 N ATOM 999 CA HIS A 160 61.007 2.221 4.092 1.00 0.00 C ATOM 1000 C HIS A 160 60.526 3.531 3.469 1.00 0.00 C ATOM 1001 O HIS A 160 59.456 3.610 2.897 1.00 0.00 O ATOM 1002 CB HIS A 160 62.398 1.887 3.559 1.00 0.00 C ATOM 1003 CG HIS A 160 63.026 0.804 4.390 1.00 0.00 C ATOM 1004 ND1 HIS A 160 64.245 0.991 5.055 1.00 0.00 N ATOM 1005 CD2 HIS A 160 62.642 -0.488 4.667 1.00 0.00 C ATOM 1006 CE1 HIS A 160 64.546 -0.159 5.690 1.00 0.00 C ATOM 1007 NE2 HIS A 160 63.603 -1.064 5.475 1.00 0.00 N ATOM 0 H HIS A 160 60.499 0.584 2.840 1.00 0.00 H new ATOM 0 HA HIS A 160 60.983 2.352 5.174 1.00 0.00 H new ATOM 0 HB2 HIS A 160 62.330 1.565 2.520 1.00 0.00 H new ATOM 0 HB3 HIS A 160 63.025 2.778 3.576 1.00 0.00 H new ATOM 0 HD2 HIS A 160 61.743 -0.970 4.313 1.00 0.00 H new ATOM 0 HE1 HIS A 160 65.430 -0.320 6.289 1.00 0.00 H new ATOM 0 HE2 HIS A 160 63.589 -2.016 5.841 1.00 0.00 H new ATOM 1015 N LYS A 161 61.319 4.559 3.578 1.00 0.00 N ATOM 1016 CA LYS A 161 60.932 5.875 3.000 1.00 0.00 C ATOM 1017 C LYS A 161 62.078 6.871 3.191 1.00 0.00 C ATOM 1018 O LYS A 161 61.957 7.845 3.906 1.00 0.00 O ATOM 1019 CB LYS A 161 59.698 6.306 3.791 1.00 0.00 C ATOM 1020 CG LYS A 161 58.478 6.324 2.866 1.00 0.00 C ATOM 1021 CD LYS A 161 57.922 7.746 2.782 1.00 0.00 C ATOM 1022 CE LYS A 161 58.740 8.553 1.771 1.00 0.00 C ATOM 1023 NZ LYS A 161 57.749 9.043 0.775 1.00 0.00 N ATOM 0 H LYS A 161 62.225 4.544 4.046 1.00 0.00 H new ATOM 0 HA LYS A 161 60.723 5.824 1.931 1.00 0.00 H new ATOM 0 HB2 LYS A 161 59.528 5.621 4.621 1.00 0.00 H new ATOM 0 HB3 LYS A 161 59.856 7.295 4.221 1.00 0.00 H new ATOM 0 HG2 LYS A 161 58.756 5.972 1.873 1.00 0.00 H new ATOM 0 HG3 LYS A 161 57.713 5.645 3.242 1.00 0.00 H new ATOM 0 HD2 LYS A 161 56.874 7.721 2.482 1.00 0.00 H new ATOM 0 HD3 LYS A 161 57.962 8.222 3.762 1.00 0.00 H new ATOM 0 HE2 LYS A 161 59.257 9.382 2.254 1.00 0.00 H new ATOM 0 HE3 LYS A 161 59.503 7.935 1.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 58.247 9.381 -0.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 57.107 8.268 0.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 57.199 9.824 1.187 1.00 0.00 H new ATOM 1037 N LEU A 162 63.195 6.622 2.562 1.00 0.00 N ATOM 1038 CA LEU A 162 64.360 7.534 2.707 1.00 0.00 C ATOM 1039 C LEU A 162 64.303 8.638 1.648 1.00 0.00 C ATOM 1040 O LEU A 162 63.829 8.432 0.549 1.00 0.00 O ATOM 1041 CB LEU A 162 65.572 6.626 2.480 1.00 0.00 C ATOM 1042 CG LEU A 162 66.821 7.248 3.098 1.00 0.00 C ATOM 1043 CD1 LEU A 162 66.512 7.708 4.520 1.00 0.00 C ATOM 1044 CD2 LEU A 162 67.933 6.198 3.135 1.00 0.00 C ATOM 0 H LEU A 162 63.349 5.820 1.951 1.00 0.00 H new ATOM 0 HA LEU A 162 64.390 8.035 3.675 1.00 0.00 H new ATOM 0 HB2 LEU A 162 65.389 5.646 2.921 1.00 0.00 H new ATOM 0 HB3 LEU A 162 65.725 6.471 1.412 1.00 0.00 H new ATOM 0 HG LEU A 162 67.139 8.104 2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 162 67.405 8.152 4.961 1.00 0.00 H new ATOM 0 HD12 LEU A 162 65.712 8.448 4.497 1.00 0.00 H new ATOM 0 HD13 LEU A 162 66.199 6.853 5.119 1.00 0.00 H new ATOM 0 HD21 LEU A 162 68.830 6.633 3.575 1.00 0.00 H new ATOM 0 HD22 LEU A 162 67.610 5.347 3.735 1.00 0.00 H new ATOM 0 HD23 LEU A 162 68.152 5.864 2.121 1.00 0.00 H new ATOM 1056 N ASN A 163 64.779 9.810 1.974 1.00 0.00 N ATOM 1057 CA ASN A 163 64.742 10.926 0.986 1.00 0.00 C ATOM 1058 C ASN A 163 63.294 11.212 0.587 1.00 0.00 C ATOM 1059 O ASN A 163 63.024 11.797 -0.444 1.00 0.00 O ATOM 1060 CB ASN A 163 65.545 10.423 -0.215 1.00 0.00 C ATOM 1061 CG ASN A 163 66.428 11.551 -0.749 1.00 0.00 C ATOM 1062 OD1 ASN A 163 67.464 11.303 -1.333 1.00 0.00 O ATOM 1063 ND2 ASN A 163 66.058 12.791 -0.575 1.00 0.00 N ATOM 0 H ASN A 163 65.190 10.042 2.878 1.00 0.00 H new ATOM 0 HA ASN A 163 65.155 11.852 1.385 1.00 0.00 H new ATOM 0 HB2 ASN A 163 66.161 9.572 0.077 1.00 0.00 H new ATOM 0 HB3 ASN A 163 64.870 10.075 -0.997 1.00 0.00 H new ATOM 0 HD21 ASN A 163 66.639 13.551 -0.929 1.00 0.00 H new ATOM 0 HD22 ASN A 163 65.188 13.000 -0.085 1.00 0.00 H new ATOM 1070 N GLY A 164 62.357 10.797 1.397 1.00 0.00 N ATOM 1071 CA GLY A 164 60.926 11.037 1.068 1.00 0.00 C ATOM 1072 C GLY A 164 60.450 9.987 0.063 1.00 0.00 C ATOM 1073 O GLY A 164 59.464 10.172 -0.622 1.00 0.00 O ATOM 0 H GLY A 164 62.523 10.302 2.273 1.00 0.00 H new ATOM 0 HA2 GLY A 164 60.321 10.990 1.973 1.00 0.00 H new ATOM 0 HA3 GLY A 164 60.800 12.037 0.652 1.00 0.00 H new ATOM 1077 N LYS A 165 61.143 8.884 -0.032 1.00 0.00 N ATOM 1078 CA LYS A 165 60.725 7.828 -0.998 1.00 0.00 C ATOM 1079 C LYS A 165 61.129 6.446 -0.478 1.00 0.00 C ATOM 1080 O LYS A 165 62.115 6.297 0.216 1.00 0.00 O ATOM 1081 CB LYS A 165 61.475 8.157 -2.287 1.00 0.00 C ATOM 1082 CG LYS A 165 60.640 7.722 -3.492 1.00 0.00 C ATOM 1083 CD LYS A 165 61.303 6.519 -4.164 1.00 0.00 C ATOM 1084 CE LYS A 165 60.259 5.427 -4.400 1.00 0.00 C ATOM 1085 NZ LYS A 165 60.820 4.591 -5.497 1.00 0.00 N ATOM 0 H LYS A 165 61.977 8.669 0.515 1.00 0.00 H new ATOM 0 HA LYS A 165 59.646 7.806 -1.148 1.00 0.00 H new ATOM 0 HB2 LYS A 165 61.677 9.227 -2.339 1.00 0.00 H new ATOM 0 HB3 LYS A 165 62.440 7.650 -2.298 1.00 0.00 H new ATOM 0 HG2 LYS A 165 59.630 7.463 -3.174 1.00 0.00 H new ATOM 0 HG3 LYS A 165 60.550 8.545 -4.202 1.00 0.00 H new ATOM 0 HD2 LYS A 165 61.751 6.819 -5.111 1.00 0.00 H new ATOM 0 HD3 LYS A 165 62.109 6.137 -3.537 1.00 0.00 H new ATOM 0 HE2 LYS A 165 60.094 4.837 -3.499 1.00 0.00 H new ATOM 0 HE3 LYS A 165 59.297 5.855 -4.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 60.160 3.818 -5.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 60.960 5.178 -6.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 61.732 4.192 -5.197 1.00 0.00 H new ATOM 1099 N VAL A 166 60.376 5.433 -0.811 1.00 0.00 N ATOM 1100 CA VAL A 166 60.721 4.063 -0.336 1.00 0.00 C ATOM 1101 C VAL A 166 62.018 3.591 -0.999 1.00 0.00 C ATOM 1102 O VAL A 166 62.467 4.154 -1.978 1.00 0.00 O ATOM 1103 CB VAL A 166 59.541 3.190 -0.760 1.00 0.00 C ATOM 1104 CG1 VAL A 166 59.712 1.782 -0.186 1.00 0.00 C ATOM 1105 CG2 VAL A 166 58.244 3.804 -0.226 1.00 0.00 C ATOM 0 H VAL A 166 59.539 5.495 -1.390 1.00 0.00 H new ATOM 0 HA VAL A 166 60.885 4.022 0.741 1.00 0.00 H new ATOM 0 HB VAL A 166 59.501 3.133 -1.848 1.00 0.00 H new ATOM 0 HG11 VAL A 166 58.869 1.161 -0.489 1.00 0.00 H new ATOM 0 HG12 VAL A 166 60.638 1.346 -0.561 1.00 0.00 H new ATOM 0 HG13 VAL A 166 59.751 1.835 0.902 1.00 0.00 H new ATOM 0 HG21 VAL A 166 57.398 3.185 -0.526 1.00 0.00 H new ATOM 0 HG22 VAL A 166 58.288 3.857 0.862 1.00 0.00 H new ATOM 0 HG23 VAL A 166 58.122 4.807 -0.634 1.00 0.00 H new ATOM 1115 N ILE A 167 62.631 2.568 -0.467 1.00 0.00 N ATOM 1116 CA ILE A 167 63.908 2.072 -1.064 1.00 0.00 C ATOM 1117 C ILE A 167 63.781 0.613 -1.494 1.00 0.00 C ATOM 1118 O ILE A 167 62.742 -0.003 -1.371 1.00 0.00 O ATOM 1119 CB ILE A 167 64.982 2.179 0.034 1.00 0.00 C ATOM 1120 CG1 ILE A 167 64.337 2.276 1.425 1.00 0.00 C ATOM 1121 CG2 ILE A 167 65.852 3.408 -0.216 1.00 0.00 C ATOM 1122 CD1 ILE A 167 65.409 2.597 2.467 1.00 0.00 C ATOM 0 H ILE A 167 62.306 2.055 0.352 1.00 0.00 H new ATOM 0 HA ILE A 167 64.163 2.660 -1.946 1.00 0.00 H new ATOM 0 HB ILE A 167 65.598 1.280 0.002 1.00 0.00 H new ATOM 0 HG12 ILE A 167 63.570 3.050 1.428 1.00 0.00 H new ATOM 0 HG13 ILE A 167 63.843 1.337 1.674 1.00 0.00 H new ATOM 0 HG21 ILE A 167 66.611 3.481 0.563 1.00 0.00 H new ATOM 0 HG22 ILE A 167 66.337 3.319 -1.188 1.00 0.00 H new ATOM 0 HG23 ILE A 167 65.230 4.303 -0.201 1.00 0.00 H new ATOM 0 HD11 ILE A 167 64.949 2.665 3.453 1.00 0.00 H new ATOM 0 HD12 ILE A 167 66.160 1.807 2.471 1.00 0.00 H new ATOM 0 HD13 ILE A 167 65.883 3.547 2.221 1.00 0.00 H new ATOM 1134 N ASP A 168 64.854 0.058 -1.985 1.00 0.00 N ATOM 1135 CA ASP A 168 64.844 -1.364 -2.415 1.00 0.00 C ATOM 1136 C ASP A 168 66.080 -2.063 -1.851 1.00 0.00 C ATOM 1137 O ASP A 168 67.088 -2.183 -2.522 1.00 0.00 O ATOM 1138 CB ASP A 168 64.895 -1.321 -3.943 1.00 0.00 C ATOM 1139 CG ASP A 168 65.263 -2.706 -4.479 1.00 0.00 C ATOM 1140 OD1 ASP A 168 65.142 -3.660 -3.731 1.00 0.00 O ATOM 1141 OD2 ASP A 168 65.661 -2.786 -5.630 1.00 0.00 O ATOM 0 H ASP A 168 65.746 0.537 -2.107 1.00 0.00 H new ATOM 0 HA ASP A 168 63.968 -1.909 -2.064 1.00 0.00 H new ATOM 0 HB2 ASP A 168 63.929 -1.010 -4.341 1.00 0.00 H new ATOM 0 HB3 ASP A 168 65.628 -0.585 -4.273 1.00 0.00 H new ATOM 1146 N PRO A 169 65.961 -2.485 -0.620 1.00 0.00 N ATOM 1147 CA PRO A 169 67.083 -3.170 0.065 1.00 0.00 C ATOM 1148 C PRO A 169 67.246 -4.595 -0.465 1.00 0.00 C ATOM 1149 O PRO A 169 66.296 -5.346 -0.561 1.00 0.00 O ATOM 1150 CB PRO A 169 66.654 -3.184 1.530 1.00 0.00 C ATOM 1151 CG PRO A 169 65.160 -3.100 1.499 1.00 0.00 C ATOM 1152 CD PRO A 169 64.780 -2.363 0.240 1.00 0.00 C ATOM 0 HA PRO A 169 68.042 -2.677 -0.090 1.00 0.00 H new ATOM 0 HB2 PRO A 169 66.988 -4.093 2.030 1.00 0.00 H new ATOM 0 HB3 PRO A 169 67.085 -2.344 2.075 1.00 0.00 H new ATOM 0 HG2 PRO A 169 64.719 -4.097 1.509 1.00 0.00 H new ATOM 0 HG3 PRO A 169 64.786 -2.576 2.379 1.00 0.00 H new ATOM 0 HD2 PRO A 169 63.899 -2.803 -0.228 1.00 0.00 H new ATOM 0 HD3 PRO A 169 64.544 -1.319 0.446 1.00 0.00 H new ATOM 1160 N LYS A 170 68.445 -4.973 -0.805 1.00 0.00 N ATOM 1161 CA LYS A 170 68.673 -6.350 -1.325 1.00 0.00 C ATOM 1162 C LYS A 170 70.025 -6.871 -0.864 1.00 0.00 C ATOM 1163 O LYS A 170 70.741 -6.218 -0.132 1.00 0.00 O ATOM 1164 CB LYS A 170 68.684 -6.221 -2.841 1.00 0.00 C ATOM 1165 CG LYS A 170 67.308 -6.583 -3.402 1.00 0.00 C ATOM 1166 CD LYS A 170 67.085 -8.091 -3.265 1.00 0.00 C ATOM 1167 CE LYS A 170 65.587 -8.378 -3.154 1.00 0.00 C ATOM 1168 NZ LYS A 170 65.306 -8.397 -1.691 1.00 0.00 N ATOM 0 H LYS A 170 69.278 -4.388 -0.746 1.00 0.00 H new ATOM 0 HA LYS A 170 67.906 -7.038 -0.970 1.00 0.00 H new ATOM 0 HB2 LYS A 170 68.947 -5.202 -3.127 1.00 0.00 H new ATOM 0 HB3 LYS A 170 69.444 -6.877 -3.265 1.00 0.00 H new ATOM 0 HG2 LYS A 170 66.530 -6.039 -2.867 1.00 0.00 H new ATOM 0 HG3 LYS A 170 67.241 -6.288 -4.449 1.00 0.00 H new ATOM 0 HD2 LYS A 170 67.503 -8.611 -4.127 1.00 0.00 H new ATOM 0 HD3 LYS A 170 67.604 -8.467 -2.384 1.00 0.00 H new ATOM 0 HE2 LYS A 170 65.000 -7.611 -3.659 1.00 0.00 H new ATOM 0 HE3 LYS A 170 65.332 -9.331 -3.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 64.296 -8.589 -1.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 65.874 -9.141 -1.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 65.552 -7.475 -1.278 1.00 0.00 H new ATOM 1182 N ARG A 171 70.385 -8.042 -1.299 1.00 0.00 N ATOM 1183 CA ARG A 171 71.699 -8.598 -0.899 1.00 0.00 C ATOM 1184 C ARG A 171 72.771 -8.220 -1.923 1.00 0.00 C ATOM 1185 O ARG A 171 72.550 -7.407 -2.798 1.00 0.00 O ATOM 1186 CB ARG A 171 71.502 -10.113 -0.849 1.00 0.00 C ATOM 1187 CG ARG A 171 72.109 -10.658 0.444 1.00 0.00 C ATOM 1188 CD ARG A 171 71.751 -12.137 0.595 1.00 0.00 C ATOM 1189 NE ARG A 171 72.766 -12.864 -0.217 1.00 0.00 N ATOM 1190 CZ ARG A 171 72.642 -14.148 -0.418 1.00 0.00 C ATOM 1191 NH1 ARG A 171 71.461 -14.701 -0.397 1.00 0.00 N ATOM 1192 NH2 ARG A 171 73.700 -14.877 -0.642 1.00 0.00 N ATOM 0 H ARG A 171 69.827 -8.636 -1.913 1.00 0.00 H new ATOM 0 HA ARG A 171 72.033 -8.207 0.062 1.00 0.00 H new ATOM 0 HB2 ARG A 171 70.440 -10.355 -0.896 1.00 0.00 H new ATOM 0 HB3 ARG A 171 71.975 -10.582 -1.712 1.00 0.00 H new ATOM 0 HG2 ARG A 171 73.192 -10.535 0.429 1.00 0.00 H new ATOM 0 HG3 ARG A 171 71.736 -10.094 1.299 1.00 0.00 H new ATOM 0 HD2 ARG A 171 71.786 -12.447 1.639 1.00 0.00 H new ATOM 0 HD3 ARG A 171 70.741 -12.337 0.236 1.00 0.00 H new ATOM 0 HE ARG A 171 73.557 -12.359 -0.616 1.00 0.00 H new ATOM 0 HH11 ARG A 171 70.634 -14.130 -0.223 1.00 0.00 H new ATOM 0 HH12 ARG A 171 71.365 -15.704 -0.554 1.00 0.00 H new ATOM 0 HH21 ARG A 171 74.623 -14.444 -0.660 1.00 0.00 H new ATOM 0 HH22 ARG A 171 73.604 -15.880 -0.799 1.00 0.00 H new