USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=15 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 94:sc= -4.19! USER MOD Set 1.2: A 163 ASN : amide:sc= -4.54! C(o=-8.7!,f=-13!) USER MOD Set 2.1: A 116 TYR OH : rot -70:sc= -2.14! USER MOD Set 2.2: A 160 HIS : no HD1:sc= -12.6! C(o=-15!,f=-17!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -125:sc= -6.16! (180deg=-9.09!) USER MOD Single : A 105 SER OG : rot -106:sc= 0.632 USER MOD Single : A 109 THR OG1 : rot 4:sc= -0.57 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -128:sc= -0.0206 (180deg=-0.272) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 180:sc= -0.0161 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 CYS SG : rot 4:sc= -0.68 USER MOD Single : A 127 THR OG1 : rot 36:sc= 0.24 USER MOD Single : A 146 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.011) USER MOD Single : A 148 SER OG : rot 180:sc= 0 USER MOD Single : A 150 SER OG : rot 39:sc= -1.39! USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 MET CE :methyl 141:sc= -4.68! (180deg=-6.07!) USER MOD Single : A 157 GLN : amide:sc= -0.466 X(o=-0.47,f=0) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 LYS NZ :NH3+ -110:sc= 0 (180deg=-0.0277) USER MOD Single : A 165 LYS NZ :NH3+ -147:sc= -0.259 (180deg=-0.506) USER MOD Single : A 170 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 98 76.575 -6.998 3.253 1.00 0.00 N ATOM 2 CA LYS A 98 76.319 -5.787 2.421 1.00 0.00 C ATOM 3 C LYS A 98 74.996 -5.942 1.663 1.00 0.00 C ATOM 4 O LYS A 98 74.578 -7.037 1.345 1.00 0.00 O ATOM 5 CB LYS A 98 77.488 -5.717 1.434 1.00 0.00 C ATOM 6 CG LYS A 98 78.820 -5.905 2.171 1.00 0.00 C ATOM 7 CD LYS A 98 79.757 -6.755 1.309 1.00 0.00 C ATOM 8 CE LYS A 98 81.200 -6.578 1.791 1.00 0.00 C ATOM 9 NZ LYS A 98 81.443 -7.706 2.736 1.00 0.00 N ATOM 0 HA LYS A 98 76.244 -4.884 3.026 1.00 0.00 H new ATOM 0 HB2 LYS A 98 77.375 -6.487 0.671 1.00 0.00 H new ATOM 0 HB3 LYS A 98 77.482 -4.756 0.920 1.00 0.00 H new ATOM 0 HG2 LYS A 98 79.275 -4.936 2.377 1.00 0.00 H new ATOM 0 HG3 LYS A 98 78.652 -6.389 3.133 1.00 0.00 H new ATOM 0 HD2 LYS A 98 79.469 -7.805 1.368 1.00 0.00 H new ATOM 0 HD3 LYS A 98 79.673 -6.460 0.263 1.00 0.00 H new ATOM 0 HE2 LYS A 98 81.900 -6.608 0.956 1.00 0.00 H new ATOM 0 HE3 LYS A 98 81.334 -5.616 2.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 82.414 -7.647 3.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 80.768 -7.649 3.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 81.317 -8.610 2.237 1.00 0.00 H new ATOM 23 N MET A 99 74.339 -4.854 1.365 1.00 0.00 N ATOM 24 CA MET A 99 73.044 -4.941 0.620 1.00 0.00 C ATOM 25 C MET A 99 72.958 -3.821 -0.417 1.00 0.00 C ATOM 26 O MET A 99 73.857 -3.014 -0.551 1.00 0.00 O ATOM 27 CB MET A 99 71.923 -4.784 1.663 1.00 0.00 C ATOM 28 CG MET A 99 72.440 -4.079 2.920 1.00 0.00 C ATOM 29 SD MET A 99 71.076 -3.874 4.090 1.00 0.00 S ATOM 30 CE MET A 99 69.978 -2.939 2.997 1.00 0.00 C ATOM 0 H MET A 99 74.640 -3.909 1.603 1.00 0.00 H new ATOM 0 HA MET A 99 72.958 -5.890 0.091 1.00 0.00 H new ATOM 0 HB2 MET A 99 71.099 -4.213 1.234 1.00 0.00 H new ATOM 0 HB3 MET A 99 71.528 -5.765 1.928 1.00 0.00 H new ATOM 0 HG2 MET A 99 73.241 -4.662 3.375 1.00 0.00 H new ATOM 0 HG3 MET A 99 72.861 -3.108 2.660 1.00 0.00 H new ATOM 0 HE1 MET A 99 69.696 -2.003 3.479 1.00 0.00 H new ATOM 0 HE2 MET A 99 70.493 -2.725 2.061 1.00 0.00 H new ATOM 0 HE3 MET A 99 69.082 -3.526 2.792 1.00 0.00 H new ATOM 40 N PHE A 100 71.881 -3.768 -1.155 1.00 0.00 N ATOM 41 CA PHE A 100 71.743 -2.703 -2.189 1.00 0.00 C ATOM 42 C PHE A 100 70.447 -1.915 -1.988 1.00 0.00 C ATOM 43 O PHE A 100 69.372 -2.475 -1.894 1.00 0.00 O ATOM 44 CB PHE A 100 71.716 -3.455 -3.523 1.00 0.00 C ATOM 45 CG PHE A 100 71.702 -2.472 -4.673 1.00 0.00 C ATOM 46 CD1 PHE A 100 70.632 -1.579 -4.840 1.00 0.00 C ATOM 47 CD2 PHE A 100 72.767 -2.456 -5.574 1.00 0.00 C ATOM 48 CE1 PHE A 100 70.640 -0.671 -5.906 1.00 0.00 C ATOM 49 CE2 PHE A 100 72.773 -1.550 -6.641 1.00 0.00 C ATOM 50 CZ PHE A 100 71.711 -0.658 -6.806 1.00 0.00 C ATOM 0 H PHE A 100 71.094 -4.414 -1.087 1.00 0.00 H new ATOM 0 HA PHE A 100 72.555 -1.977 -2.141 1.00 0.00 H new ATOM 0 HB2 PHE A 100 72.587 -4.105 -3.601 1.00 0.00 H new ATOM 0 HB3 PHE A 100 70.835 -4.095 -3.571 1.00 0.00 H new ATOM 0 HD1 PHE A 100 69.804 -1.592 -4.147 1.00 0.00 H new ATOM 0 HD2 PHE A 100 73.589 -3.145 -5.448 1.00 0.00 H new ATOM 0 HE1 PHE A 100 69.819 0.019 -6.033 1.00 0.00 H new ATOM 0 HE2 PHE A 100 73.599 -1.541 -7.337 1.00 0.00 H new ATOM 0 HZ PHE A 100 71.717 0.042 -7.629 1.00 0.00 H new ATOM 60 N ILE A 101 70.542 -0.615 -1.949 1.00 0.00 N ATOM 61 CA ILE A 101 69.324 0.231 -1.785 1.00 0.00 C ATOM 62 C ILE A 101 69.022 0.915 -3.116 1.00 0.00 C ATOM 63 O ILE A 101 69.595 1.933 -3.445 1.00 0.00 O ATOM 64 CB ILE A 101 69.680 1.264 -0.712 1.00 0.00 C ATOM 65 CG1 ILE A 101 70.558 0.617 0.365 1.00 0.00 C ATOM 66 CG2 ILE A 101 68.394 1.779 -0.067 1.00 0.00 C ATOM 67 CD1 ILE A 101 69.879 -0.652 0.886 1.00 0.00 C ATOM 0 H ILE A 101 71.418 -0.097 -2.024 1.00 0.00 H new ATOM 0 HA ILE A 101 68.444 -0.343 -1.494 1.00 0.00 H new ATOM 0 HB ILE A 101 70.224 2.089 -1.172 1.00 0.00 H new ATOM 0 HG12 ILE A 101 71.538 0.375 -0.047 1.00 0.00 H new ATOM 0 HG13 ILE A 101 70.721 1.317 1.184 1.00 0.00 H new ATOM 0 HG21 ILE A 101 68.640 2.515 0.698 1.00 0.00 H new ATOM 0 HG22 ILE A 101 67.766 2.243 -0.828 1.00 0.00 H new ATOM 0 HG23 ILE A 101 67.857 0.947 0.389 1.00 0.00 H new ATOM 0 HD11 ILE A 101 70.504 -1.111 1.652 1.00 0.00 H new ATOM 0 HD12 ILE A 101 68.910 -0.396 1.314 1.00 0.00 H new ATOM 0 HD13 ILE A 101 69.739 -1.353 0.064 1.00 0.00 H new ATOM 79 N GLY A 102 68.144 0.350 -3.897 1.00 0.00 N ATOM 80 CA GLY A 102 67.833 0.961 -5.219 1.00 0.00 C ATOM 81 C GLY A 102 66.684 1.959 -5.083 1.00 0.00 C ATOM 82 O GLY A 102 65.773 1.773 -4.300 1.00 0.00 O ATOM 0 H GLY A 102 67.631 -0.504 -3.679 1.00 0.00 H new ATOM 0 HA2 GLY A 102 68.717 1.464 -5.612 1.00 0.00 H new ATOM 0 HA3 GLY A 102 67.565 0.183 -5.933 1.00 0.00 H new ATOM 86 N GLY A 103 66.716 3.017 -5.849 1.00 0.00 N ATOM 87 CA GLY A 103 65.623 4.025 -5.776 1.00 0.00 C ATOM 88 C GLY A 103 66.036 5.184 -4.866 1.00 0.00 C ATOM 89 O GLY A 103 65.210 5.948 -4.416 1.00 0.00 O ATOM 0 H GLY A 103 67.453 3.225 -6.522 1.00 0.00 H new ATOM 0 HA2 GLY A 103 65.396 4.399 -6.774 1.00 0.00 H new ATOM 0 HA3 GLY A 103 64.714 3.560 -5.395 1.00 0.00 H new ATOM 93 N LEU A 104 67.303 5.336 -4.590 1.00 0.00 N ATOM 94 CA LEU A 104 67.729 6.463 -3.707 1.00 0.00 C ATOM 95 C LEU A 104 67.206 7.787 -4.270 1.00 0.00 C ATOM 96 O LEU A 104 66.770 7.860 -5.402 1.00 0.00 O ATOM 97 CB LEU A 104 69.259 6.445 -3.726 1.00 0.00 C ATOM 98 CG LEU A 104 69.785 5.886 -2.402 1.00 0.00 C ATOM 99 CD1 LEU A 104 69.289 6.754 -1.241 1.00 0.00 C ATOM 100 CD2 LEU A 104 69.279 4.452 -2.220 1.00 0.00 C ATOM 0 H LEU A 104 68.055 4.737 -4.932 1.00 0.00 H new ATOM 0 HA LEU A 104 67.340 6.360 -2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 104 69.615 5.835 -4.556 1.00 0.00 H new ATOM 0 HB3 LEU A 104 69.642 7.453 -3.884 1.00 0.00 H new ATOM 0 HG LEU A 104 70.875 5.891 -2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 104 69.666 6.353 -0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 104 69.649 7.775 -1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 104 68.199 6.753 -1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 104 69.652 4.051 -1.278 1.00 0.00 H new ATOM 0 HD22 LEU A 104 68.189 4.449 -2.209 1.00 0.00 H new ATOM 0 HD23 LEU A 104 69.635 3.833 -3.044 1.00 0.00 H new ATOM 112 N SER A 105 67.250 8.836 -3.495 1.00 0.00 N ATOM 113 CA SER A 105 66.763 10.154 -3.998 1.00 0.00 C ATOM 114 C SER A 105 67.917 10.932 -4.641 1.00 0.00 C ATOM 115 O SER A 105 69.031 10.920 -4.156 1.00 0.00 O ATOM 116 CB SER A 105 66.241 10.889 -2.764 1.00 0.00 C ATOM 117 OG SER A 105 65.102 11.661 -3.121 1.00 0.00 O ATOM 0 H SER A 105 67.601 8.839 -2.537 1.00 0.00 H new ATOM 0 HA SER A 105 65.990 10.044 -4.758 1.00 0.00 H new ATOM 0 HB2 SER A 105 65.979 10.173 -1.985 1.00 0.00 H new ATOM 0 HB3 SER A 105 67.018 11.535 -2.356 1.00 0.00 H new ATOM 0 HG SER A 105 65.347 12.609 -3.153 1.00 0.00 H new ATOM 123 N TRP A 106 67.660 11.611 -5.727 1.00 0.00 N ATOM 124 CA TRP A 106 68.742 12.394 -6.400 1.00 0.00 C ATOM 125 C TRP A 106 69.478 13.276 -5.383 1.00 0.00 C ATOM 126 O TRP A 106 70.584 13.718 -5.621 1.00 0.00 O ATOM 127 CB TRP A 106 68.013 13.266 -7.425 1.00 0.00 C ATOM 128 CG TRP A 106 67.689 12.452 -8.638 1.00 0.00 C ATOM 129 CD1 TRP A 106 67.581 11.104 -8.661 1.00 0.00 C ATOM 130 CD2 TRP A 106 67.428 12.907 -9.998 1.00 0.00 C ATOM 131 NE1 TRP A 106 67.273 10.702 -9.947 1.00 0.00 N ATOM 132 CE2 TRP A 106 67.167 11.777 -10.809 1.00 0.00 C ATOM 133 CE3 TRP A 106 67.394 14.178 -10.602 1.00 0.00 C ATOM 134 CZ2 TRP A 106 66.883 11.901 -12.169 1.00 0.00 C ATOM 135 CZ3 TRP A 106 67.108 14.307 -11.971 1.00 0.00 C ATOM 136 CH2 TRP A 106 66.853 13.170 -12.753 1.00 0.00 C ATOM 0 H TRP A 106 66.747 11.658 -6.179 1.00 0.00 H new ATOM 0 HA TRP A 106 69.490 11.749 -6.860 1.00 0.00 H new ATOM 0 HB2 TRP A 106 67.098 13.668 -6.990 1.00 0.00 H new ATOM 0 HB3 TRP A 106 68.635 14.117 -7.702 1.00 0.00 H new ATOM 0 HD1 TRP A 106 67.714 10.449 -7.813 1.00 0.00 H new ATOM 0 HE1 TRP A 106 67.140 9.730 -10.226 1.00 0.00 H new ATOM 0 HE3 TRP A 106 67.589 15.059 -10.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 66.688 11.023 -12.766 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 67.084 15.287 -12.424 1.00 0.00 H new ATOM 0 HH2 TRP A 106 66.634 13.276 -13.805 1.00 0.00 H new ATOM 147 N ASP A 107 68.871 13.544 -4.256 1.00 0.00 N ATOM 148 CA ASP A 107 69.542 14.408 -3.240 1.00 0.00 C ATOM 149 C ASP A 107 69.881 13.612 -1.972 1.00 0.00 C ATOM 150 O ASP A 107 69.983 14.167 -0.896 1.00 0.00 O ATOM 151 CB ASP A 107 68.524 15.506 -2.924 1.00 0.00 C ATOM 152 CG ASP A 107 67.269 14.883 -2.312 1.00 0.00 C ATOM 153 OD1 ASP A 107 66.650 14.070 -2.978 1.00 0.00 O ATOM 154 OD2 ASP A 107 66.948 15.229 -1.187 1.00 0.00 O ATOM 0 H ASP A 107 67.945 13.204 -3.996 1.00 0.00 H new ATOM 0 HA ASP A 107 70.485 14.809 -3.611 1.00 0.00 H new ATOM 0 HB2 ASP A 107 68.957 16.229 -2.233 1.00 0.00 H new ATOM 0 HB3 ASP A 107 68.266 16.049 -3.833 1.00 0.00 H new ATOM 159 N THR A 108 70.064 12.324 -2.084 1.00 0.00 N ATOM 160 CA THR A 108 70.405 11.519 -0.872 1.00 0.00 C ATOM 161 C THR A 108 71.924 11.477 -0.683 1.00 0.00 C ATOM 162 O THR A 108 72.678 11.821 -1.570 1.00 0.00 O ATOM 163 CB THR A 108 69.860 10.116 -1.141 1.00 0.00 C ATOM 164 OG1 THR A 108 68.694 10.209 -1.944 1.00 0.00 O ATOM 165 CG2 THR A 108 69.515 9.441 0.188 1.00 0.00 C ATOM 0 H THR A 108 69.993 11.796 -2.954 1.00 0.00 H new ATOM 0 HA THR A 108 69.977 11.946 0.035 1.00 0.00 H new ATOM 0 HB THR A 108 70.613 9.525 -1.663 1.00 0.00 H new ATOM 0 HG1 THR A 108 68.939 10.116 -2.888 1.00 0.00 H new ATOM 0 HG21 THR A 108 69.126 8.441 -0.002 1.00 0.00 H new ATOM 0 HG22 THR A 108 70.412 9.371 0.804 1.00 0.00 H new ATOM 0 HG23 THR A 108 68.761 10.030 0.710 1.00 0.00 H new ATOM 173 N THR A 109 72.379 11.057 0.466 1.00 0.00 N ATOM 174 CA THR A 109 73.850 10.999 0.704 1.00 0.00 C ATOM 175 C THR A 109 74.200 9.803 1.595 1.00 0.00 C ATOM 176 O THR A 109 73.347 9.021 1.968 1.00 0.00 O ATOM 177 CB THR A 109 74.187 12.309 1.418 1.00 0.00 C ATOM 178 OG1 THR A 109 73.635 12.289 2.728 1.00 0.00 O ATOM 179 CG2 THR A 109 73.603 13.486 0.634 1.00 0.00 C ATOM 0 H THR A 109 71.799 10.753 1.248 1.00 0.00 H new ATOM 0 HA THR A 109 74.411 10.879 -0.223 1.00 0.00 H new ATOM 0 HB THR A 109 75.270 12.420 1.481 1.00 0.00 H new ATOM 0 HG1 THR A 109 73.221 11.416 2.895 1.00 0.00 H new ATOM 0 HG21 THR A 109 73.844 14.419 1.144 1.00 0.00 H new ATOM 0 HG22 THR A 109 74.028 13.501 -0.370 1.00 0.00 H new ATOM 0 HG23 THR A 109 72.520 13.378 0.568 1.00 0.00 H new ATOM 187 N LYS A 110 75.450 9.660 1.943 1.00 0.00 N ATOM 188 CA LYS A 110 75.854 8.521 2.815 1.00 0.00 C ATOM 189 C LYS A 110 75.632 8.895 4.285 1.00 0.00 C ATOM 190 O LYS A 110 75.629 8.049 5.157 1.00 0.00 O ATOM 191 CB LYS A 110 77.342 8.301 2.511 1.00 0.00 C ATOM 192 CG LYS A 110 78.050 7.693 3.727 1.00 0.00 C ATOM 193 CD LYS A 110 79.311 6.956 3.270 1.00 0.00 C ATOM 194 CE LYS A 110 80.551 7.729 3.737 1.00 0.00 C ATOM 195 NZ LYS A 110 81.147 8.326 2.505 1.00 0.00 N ATOM 0 H LYS A 110 76.208 10.282 1.661 1.00 0.00 H new ATOM 0 HA LYS A 110 75.275 7.616 2.631 1.00 0.00 H new ATOM 0 HB2 LYS A 110 77.450 7.640 1.651 1.00 0.00 H new ATOM 0 HB3 LYS A 110 77.810 9.249 2.246 1.00 0.00 H new ATOM 0 HG2 LYS A 110 78.312 8.477 4.438 1.00 0.00 H new ATOM 0 HG3 LYS A 110 77.381 7.005 4.244 1.00 0.00 H new ATOM 0 HD2 LYS A 110 79.323 5.946 3.679 1.00 0.00 H new ATOM 0 HD3 LYS A 110 79.316 6.860 2.184 1.00 0.00 H new ATOM 0 HE2 LYS A 110 80.281 8.503 4.455 1.00 0.00 H new ATOM 0 HE3 LYS A 110 81.261 7.067 4.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 81.998 8.867 2.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 81.404 7.568 1.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 80.455 8.960 2.056 1.00 0.00 H new ATOM 209 N LYS A 111 75.441 10.157 4.563 1.00 0.00 N ATOM 210 CA LYS A 111 75.212 10.578 5.974 1.00 0.00 C ATOM 211 C LYS A 111 73.743 10.371 6.346 1.00 0.00 C ATOM 212 O LYS A 111 73.427 9.858 7.401 1.00 0.00 O ATOM 213 CB LYS A 111 75.571 12.064 6.012 1.00 0.00 C ATOM 214 CG LYS A 111 76.870 12.255 6.799 1.00 0.00 C ATOM 215 CD LYS A 111 78.022 12.517 5.828 1.00 0.00 C ATOM 216 CE LYS A 111 78.401 14.000 5.869 1.00 0.00 C ATOM 217 NZ LYS A 111 79.130 14.185 7.157 1.00 0.00 N ATOM 0 H LYS A 111 75.434 10.911 3.876 1.00 0.00 H new ATOM 0 HA LYS A 111 75.808 10.001 6.681 1.00 0.00 H new ATOM 0 HB2 LYS A 111 75.688 12.447 4.998 1.00 0.00 H new ATOM 0 HB3 LYS A 111 74.765 12.632 6.476 1.00 0.00 H new ATOM 0 HG2 LYS A 111 76.768 13.090 7.492 1.00 0.00 H new ATOM 0 HG3 LYS A 111 77.079 11.368 7.397 1.00 0.00 H new ATOM 0 HD2 LYS A 111 78.883 11.904 6.095 1.00 0.00 H new ATOM 0 HD3 LYS A 111 77.730 12.234 4.817 1.00 0.00 H new ATOM 0 HE2 LYS A 111 79.029 14.269 5.020 1.00 0.00 H new ATOM 0 HE3 LYS A 111 77.515 14.634 5.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 78.706 14.974 7.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 79.063 13.314 7.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 80.130 14.395 6.963 1.00 0.00 H new ATOM 231 N ASP A 112 72.842 10.760 5.485 1.00 0.00 N ATOM 232 CA ASP A 112 71.395 10.576 5.793 1.00 0.00 C ATOM 233 C ASP A 112 70.998 9.113 5.571 1.00 0.00 C ATOM 234 O ASP A 112 70.225 8.552 6.321 1.00 0.00 O ATOM 235 CB ASP A 112 70.652 11.496 4.824 1.00 0.00 C ATOM 236 CG ASP A 112 71.004 11.118 3.386 1.00 0.00 C ATOM 237 OD1 ASP A 112 72.022 10.475 3.198 1.00 0.00 O ATOM 238 OD2 ASP A 112 70.251 11.478 2.497 1.00 0.00 O ATOM 0 H ASP A 112 73.044 11.196 4.585 1.00 0.00 H new ATOM 0 HA ASP A 112 71.158 10.818 6.829 1.00 0.00 H new ATOM 0 HB2 ASP A 112 69.576 11.412 4.980 1.00 0.00 H new ATOM 0 HB3 ASP A 112 70.922 12.535 5.014 1.00 0.00 H new ATOM 243 N LEU A 113 71.528 8.485 4.554 1.00 0.00 N ATOM 244 CA LEU A 113 71.179 7.054 4.309 1.00 0.00 C ATOM 245 C LEU A 113 71.801 6.186 5.404 1.00 0.00 C ATOM 246 O LEU A 113 71.172 5.290 5.931 1.00 0.00 O ATOM 247 CB LEU A 113 71.775 6.714 2.941 1.00 0.00 C ATOM 248 CG LEU A 113 71.388 5.287 2.555 1.00 0.00 C ATOM 249 CD1 LEU A 113 69.928 5.259 2.100 1.00 0.00 C ATOM 250 CD2 LEU A 113 72.286 4.809 1.411 1.00 0.00 C ATOM 0 H LEU A 113 72.182 8.896 3.888 1.00 0.00 H new ATOM 0 HA LEU A 113 70.103 6.878 4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 113 71.412 7.416 2.190 1.00 0.00 H new ATOM 0 HB3 LEU A 113 72.860 6.812 2.971 1.00 0.00 H new ATOM 0 HG LEU A 113 71.513 4.631 3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 113 69.652 4.241 1.825 1.00 0.00 H new ATOM 0 HD12 LEU A 113 69.287 5.602 2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 113 69.803 5.914 1.238 1.00 0.00 H new ATOM 0 HD21 LEU A 113 72.012 3.791 1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 113 72.160 5.466 0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 113 73.327 4.829 1.733 1.00 0.00 H new ATOM 262 N LYS A 114 73.027 6.455 5.763 1.00 0.00 N ATOM 263 CA LYS A 114 73.675 5.653 6.839 1.00 0.00 C ATOM 264 C LYS A 114 72.863 5.790 8.128 1.00 0.00 C ATOM 265 O LYS A 114 72.500 4.812 8.752 1.00 0.00 O ATOM 266 CB LYS A 114 75.072 6.257 7.009 1.00 0.00 C ATOM 267 CG LYS A 114 75.717 5.705 8.283 1.00 0.00 C ATOM 268 CD LYS A 114 76.879 4.783 7.908 1.00 0.00 C ATOM 269 CE LYS A 114 78.139 5.620 7.672 1.00 0.00 C ATOM 270 NZ LYS A 114 79.264 4.765 8.142 1.00 0.00 N ATOM 0 H LYS A 114 73.605 7.192 5.360 1.00 0.00 H new ATOM 0 HA LYS A 114 73.731 4.591 6.598 1.00 0.00 H new ATOM 0 HB2 LYS A 114 75.690 6.019 6.143 1.00 0.00 H new ATOM 0 HB3 LYS A 114 75.006 7.344 7.064 1.00 0.00 H new ATOM 0 HG2 LYS A 114 76.075 6.524 8.906 1.00 0.00 H new ATOM 0 HG3 LYS A 114 74.979 5.158 8.869 1.00 0.00 H new ATOM 0 HD2 LYS A 114 77.054 4.059 8.704 1.00 0.00 H new ATOM 0 HD3 LYS A 114 76.632 4.216 7.010 1.00 0.00 H new ATOM 0 HE2 LYS A 114 78.251 5.876 6.618 1.00 0.00 H new ATOM 0 HE3 LYS A 114 78.099 6.558 8.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 80.163 5.272 8.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 79.134 4.543 9.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 79.282 3.882 7.593 1.00 0.00 H new ATOM 284 N ASP A 115 72.561 6.997 8.526 1.00 0.00 N ATOM 285 CA ASP A 115 71.761 7.187 9.767 1.00 0.00 C ATOM 286 C ASP A 115 70.379 6.586 9.572 1.00 0.00 C ATOM 287 O ASP A 115 69.897 5.843 10.402 1.00 0.00 O ATOM 288 CB ASP A 115 71.680 8.699 9.976 1.00 0.00 C ATOM 289 CG ASP A 115 70.974 8.995 11.301 1.00 0.00 C ATOM 290 OD1 ASP A 115 69.758 9.096 11.293 1.00 0.00 O ATOM 291 OD2 ASP A 115 71.662 9.120 12.301 1.00 0.00 O ATOM 0 H ASP A 115 72.833 7.855 8.047 1.00 0.00 H new ATOM 0 HA ASP A 115 72.207 6.698 10.633 1.00 0.00 H new ATOM 0 HB2 ASP A 115 72.681 9.130 9.981 1.00 0.00 H new ATOM 0 HB3 ASP A 115 71.138 9.162 9.152 1.00 0.00 H new ATOM 296 N TYR A 116 69.746 6.863 8.469 1.00 0.00 N ATOM 297 CA TYR A 116 68.415 6.253 8.233 1.00 0.00 C ATOM 298 C TYR A 116 68.522 4.761 8.531 1.00 0.00 C ATOM 299 O TYR A 116 67.610 4.140 9.042 1.00 0.00 O ATOM 300 CB TYR A 116 68.125 6.465 6.753 1.00 0.00 C ATOM 301 CG TYR A 116 66.844 5.752 6.418 1.00 0.00 C ATOM 302 CD1 TYR A 116 65.628 6.411 6.583 1.00 0.00 C ATOM 303 CD2 TYR A 116 66.875 4.433 5.955 1.00 0.00 C ATOM 304 CE1 TYR A 116 64.429 5.755 6.279 1.00 0.00 C ATOM 305 CE2 TYR A 116 65.679 3.773 5.650 1.00 0.00 C ATOM 306 CZ TYR A 116 64.455 4.434 5.812 1.00 0.00 C ATOM 307 OH TYR A 116 63.274 3.783 5.513 1.00 0.00 O ATOM 0 H TYR A 116 70.088 7.477 7.730 1.00 0.00 H new ATOM 0 HA TYR A 116 67.631 6.684 8.856 1.00 0.00 H new ATOM 0 HB2 TYR A 116 68.037 7.529 6.531 1.00 0.00 H new ATOM 0 HB3 TYR A 116 68.944 6.080 6.146 1.00 0.00 H new ATOM 0 HD1 TYR A 116 65.610 7.428 6.946 1.00 0.00 H new ATOM 0 HD2 TYR A 116 67.820 3.924 5.833 1.00 0.00 H new ATOM 0 HE1 TYR A 116 63.486 6.266 6.404 1.00 0.00 H new ATOM 0 HE2 TYR A 116 65.700 2.755 5.290 1.00 0.00 H new ATOM 0 HH TYR A 116 62.785 3.596 6.341 1.00 0.00 H new ATOM 317 N PHE A 117 69.648 4.185 8.199 1.00 0.00 N ATOM 318 CA PHE A 117 69.849 2.732 8.441 1.00 0.00 C ATOM 319 C PHE A 117 70.494 2.474 9.809 1.00 0.00 C ATOM 320 O PHE A 117 70.674 1.343 10.217 1.00 0.00 O ATOM 321 CB PHE A 117 70.753 2.266 7.301 1.00 0.00 C ATOM 322 CG PHE A 117 69.900 1.987 6.088 1.00 0.00 C ATOM 323 CD1 PHE A 117 68.839 1.080 6.183 1.00 0.00 C ATOM 324 CD2 PHE A 117 70.162 2.637 4.873 1.00 0.00 C ATOM 325 CE1 PHE A 117 68.039 0.817 5.068 1.00 0.00 C ATOM 326 CE2 PHE A 117 69.360 2.373 3.754 1.00 0.00 C ATOM 327 CZ PHE A 117 68.299 1.463 3.852 1.00 0.00 C ATOM 0 H PHE A 117 70.439 4.664 7.769 1.00 0.00 H new ATOM 0 HA PHE A 117 68.904 2.189 8.460 1.00 0.00 H new ATOM 0 HB2 PHE A 117 71.496 3.030 7.072 1.00 0.00 H new ATOM 0 HB3 PHE A 117 71.298 1.369 7.594 1.00 0.00 H new ATOM 0 HD1 PHE A 117 68.638 0.582 7.120 1.00 0.00 H new ATOM 0 HD2 PHE A 117 70.979 3.339 4.800 1.00 0.00 H new ATOM 0 HE1 PHE A 117 67.221 0.116 5.143 1.00 0.00 H new ATOM 0 HE2 PHE A 117 69.560 2.871 2.817 1.00 0.00 H new ATOM 0 HZ PHE A 117 67.681 1.259 2.990 1.00 0.00 H new ATOM 337 N SER A 118 70.836 3.505 10.525 1.00 0.00 N ATOM 338 CA SER A 118 71.454 3.302 11.867 1.00 0.00 C ATOM 339 C SER A 118 70.398 2.771 12.843 1.00 0.00 C ATOM 340 O SER A 118 70.694 2.432 13.971 1.00 0.00 O ATOM 341 CB SER A 118 71.938 4.685 12.298 1.00 0.00 C ATOM 342 OG SER A 118 72.251 4.663 13.686 1.00 0.00 O ATOM 0 H SER A 118 70.716 4.478 10.243 1.00 0.00 H new ATOM 0 HA SER A 118 72.271 2.580 11.847 1.00 0.00 H new ATOM 0 HB2 SER A 118 72.817 4.972 11.720 1.00 0.00 H new ATOM 0 HB3 SER A 118 71.168 5.431 12.099 1.00 0.00 H new ATOM 0 HG SER A 118 72.563 5.549 13.965 1.00 0.00 H new ATOM 348 N LYS A 119 69.166 2.697 12.411 1.00 0.00 N ATOM 349 CA LYS A 119 68.088 2.187 13.303 1.00 0.00 C ATOM 350 C LYS A 119 68.003 0.663 13.204 1.00 0.00 C ATOM 351 O LYS A 119 67.370 0.010 14.010 1.00 0.00 O ATOM 352 CB LYS A 119 66.803 2.828 12.776 1.00 0.00 C ATOM 353 CG LYS A 119 65.760 2.874 13.893 1.00 0.00 C ATOM 354 CD LYS A 119 65.370 4.328 14.167 1.00 0.00 C ATOM 355 CE LYS A 119 63.853 4.423 14.365 1.00 0.00 C ATOM 356 NZ LYS A 119 63.612 4.005 15.777 1.00 0.00 N ATOM 0 H LYS A 119 68.861 2.969 11.476 1.00 0.00 H new ATOM 0 HA LYS A 119 68.266 2.431 14.350 1.00 0.00 H new ATOM 0 HB2 LYS A 119 67.009 3.836 12.414 1.00 0.00 H new ATOM 0 HB3 LYS A 119 66.420 2.258 11.930 1.00 0.00 H new ATOM 0 HG2 LYS A 119 64.880 2.298 13.607 1.00 0.00 H new ATOM 0 HG3 LYS A 119 66.160 2.417 14.798 1.00 0.00 H new ATOM 0 HD2 LYS A 119 65.887 4.693 15.055 1.00 0.00 H new ATOM 0 HD3 LYS A 119 65.679 4.961 13.335 1.00 0.00 H new ATOM 0 HE2 LYS A 119 63.496 5.438 14.189 1.00 0.00 H new ATOM 0 HE3 LYS A 119 63.324 3.774 13.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 62.593 4.046 15.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 63.954 3.032 15.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 64.121 4.645 16.420 1.00 0.00 H new ATOM 370 N PHE A 120 68.641 0.093 12.220 1.00 0.00 N ATOM 371 CA PHE A 120 68.601 -1.389 12.066 1.00 0.00 C ATOM 372 C PHE A 120 69.751 -2.023 12.848 1.00 0.00 C ATOM 373 O PHE A 120 69.577 -2.997 13.555 1.00 0.00 O ATOM 374 CB PHE A 120 68.783 -1.639 10.569 1.00 0.00 C ATOM 375 CG PHE A 120 67.691 -0.947 9.789 1.00 0.00 C ATOM 376 CD1 PHE A 120 67.840 0.393 9.413 1.00 0.00 C ATOM 377 CD2 PHE A 120 66.539 -1.649 9.424 1.00 0.00 C ATOM 378 CE1 PHE A 120 66.838 1.031 8.675 1.00 0.00 C ATOM 379 CE2 PHE A 120 65.537 -1.013 8.680 1.00 0.00 C ATOM 380 CZ PHE A 120 65.688 0.326 8.305 1.00 0.00 C ATOM 0 H PHE A 120 69.188 0.588 11.516 1.00 0.00 H new ATOM 0 HA PHE A 120 67.673 -1.819 12.442 1.00 0.00 H new ATOM 0 HB2 PHE A 120 69.758 -1.273 10.247 1.00 0.00 H new ATOM 0 HB3 PHE A 120 68.762 -2.710 10.366 1.00 0.00 H new ATOM 0 HD1 PHE A 120 68.731 0.935 9.693 1.00 0.00 H new ATOM 0 HD2 PHE A 120 66.421 -2.682 9.716 1.00 0.00 H new ATOM 0 HE1 PHE A 120 66.952 2.067 8.391 1.00 0.00 H new ATOM 0 HE2 PHE A 120 64.648 -1.556 8.396 1.00 0.00 H new ATOM 0 HZ PHE A 120 64.916 0.816 7.730 1.00 0.00 H new ATOM 390 N GLY A 121 70.925 -1.472 12.724 1.00 0.00 N ATOM 391 CA GLY A 121 72.098 -2.031 13.456 1.00 0.00 C ATOM 392 C GLY A 121 73.320 -1.143 13.209 1.00 0.00 C ATOM 393 O GLY A 121 73.222 -0.088 12.613 1.00 0.00 O ATOM 0 H GLY A 121 71.125 -0.656 12.146 1.00 0.00 H new ATOM 0 HA2 GLY A 121 71.883 -2.085 14.523 1.00 0.00 H new ATOM 0 HA3 GLY A 121 72.300 -3.048 13.120 1.00 0.00 H new ATOM 397 N GLU A 122 74.472 -1.559 13.660 1.00 0.00 N ATOM 398 CA GLU A 122 75.697 -0.734 13.447 1.00 0.00 C ATOM 399 C GLU A 122 76.251 -0.964 12.038 1.00 0.00 C ATOM 400 O GLU A 122 76.681 -2.047 11.700 1.00 0.00 O ATOM 401 CB GLU A 122 76.692 -1.222 14.501 1.00 0.00 C ATOM 402 CG GLU A 122 76.561 -0.371 15.767 1.00 0.00 C ATOM 403 CD GLU A 122 77.015 1.060 15.473 1.00 0.00 C ATOM 404 OE1 GLU A 122 77.990 1.216 14.757 1.00 0.00 O ATOM 405 OE2 GLU A 122 76.379 1.975 15.970 1.00 0.00 O ATOM 0 H GLU A 122 74.619 -2.433 14.166 1.00 0.00 H new ATOM 0 HA GLU A 122 75.497 0.334 13.539 1.00 0.00 H new ATOM 0 HB2 GLU A 122 76.504 -2.270 14.735 1.00 0.00 H new ATOM 0 HB3 GLU A 122 77.708 -1.159 14.112 1.00 0.00 H new ATOM 0 HG2 GLU A 122 75.527 -0.372 16.112 1.00 0.00 H new ATOM 0 HG3 GLU A 122 77.165 -0.797 16.568 1.00 0.00 H new ATOM 412 N VAL A 123 76.247 0.050 11.216 1.00 0.00 N ATOM 413 CA VAL A 123 76.776 -0.104 9.827 1.00 0.00 C ATOM 414 C VAL A 123 78.261 0.239 9.766 1.00 0.00 C ATOM 415 O VAL A 123 78.702 1.257 10.261 1.00 0.00 O ATOM 416 CB VAL A 123 75.952 0.872 8.971 1.00 0.00 C ATOM 417 CG1 VAL A 123 76.800 1.438 7.824 1.00 0.00 C ATOM 418 CG2 VAL A 123 74.779 0.117 8.361 1.00 0.00 C ATOM 0 H VAL A 123 75.900 0.981 11.445 1.00 0.00 H new ATOM 0 HA VAL A 123 76.687 -1.131 9.472 1.00 0.00 H new ATOM 0 HB VAL A 123 75.611 1.690 9.606 1.00 0.00 H new ATOM 0 HG11 VAL A 123 76.197 2.126 7.231 1.00 0.00 H new ATOM 0 HG12 VAL A 123 77.659 1.969 8.234 1.00 0.00 H new ATOM 0 HG13 VAL A 123 77.147 0.621 7.191 1.00 0.00 H new ATOM 0 HG21 VAL A 123 74.186 0.798 7.751 1.00 0.00 H new ATOM 0 HG22 VAL A 123 75.154 -0.695 7.738 1.00 0.00 H new ATOM 0 HG23 VAL A 123 74.157 -0.293 9.157 1.00 0.00 H new ATOM 428 N VAL A 124 79.018 -0.590 9.115 1.00 0.00 N ATOM 429 CA VAL A 124 80.462 -0.309 8.959 1.00 0.00 C ATOM 430 C VAL A 124 80.639 0.498 7.681 1.00 0.00 C ATOM 431 O VAL A 124 81.594 1.231 7.518 1.00 0.00 O ATOM 432 CB VAL A 124 81.131 -1.684 8.831 1.00 0.00 C ATOM 433 CG1 VAL A 124 82.391 -1.582 7.957 1.00 0.00 C ATOM 434 CG2 VAL A 124 81.515 -2.189 10.222 1.00 0.00 C ATOM 0 H VAL A 124 78.695 -1.455 8.682 1.00 0.00 H new ATOM 0 HA VAL A 124 80.891 0.254 9.788 1.00 0.00 H new ATOM 0 HB VAL A 124 80.433 -2.379 8.364 1.00 0.00 H new ATOM 0 HG11 VAL A 124 82.857 -2.564 7.874 1.00 0.00 H new ATOM 0 HG12 VAL A 124 82.117 -1.225 6.964 1.00 0.00 H new ATOM 0 HG13 VAL A 124 83.094 -0.885 8.412 1.00 0.00 H new ATOM 0 HG21 VAL A 124 81.991 -3.166 10.136 1.00 0.00 H new ATOM 0 HG22 VAL A 124 82.209 -1.487 10.685 1.00 0.00 H new ATOM 0 HG23 VAL A 124 80.620 -2.274 10.838 1.00 0.00 H new ATOM 444 N ASP A 125 79.726 0.350 6.762 1.00 0.00 N ATOM 445 CA ASP A 125 79.860 1.096 5.488 1.00 0.00 C ATOM 446 C ASP A 125 78.493 1.458 4.892 1.00 0.00 C ATOM 447 O ASP A 125 77.478 0.876 5.217 1.00 0.00 O ATOM 448 CB ASP A 125 80.617 0.148 4.557 1.00 0.00 C ATOM 449 CG ASP A 125 82.097 0.532 4.532 1.00 0.00 C ATOM 450 OD1 ASP A 125 82.399 1.674 4.837 1.00 0.00 O ATOM 451 OD2 ASP A 125 82.905 -0.323 4.208 1.00 0.00 O ATOM 0 H ASP A 125 78.904 -0.248 6.839 1.00 0.00 H new ATOM 0 HA ASP A 125 80.379 2.043 5.635 1.00 0.00 H new ATOM 0 HB2 ASP A 125 80.503 -0.881 4.898 1.00 0.00 H new ATOM 0 HB3 ASP A 125 80.200 0.199 3.551 1.00 0.00 H new ATOM 456 N CYS A 126 78.481 2.421 4.007 1.00 0.00 N ATOM 457 CA CYS A 126 77.211 2.855 3.351 1.00 0.00 C ATOM 458 C CYS A 126 77.547 3.806 2.208 1.00 0.00 C ATOM 459 O CYS A 126 78.547 4.497 2.240 1.00 0.00 O ATOM 460 CB CYS A 126 76.411 3.571 4.438 1.00 0.00 C ATOM 461 SG CYS A 126 74.661 3.598 3.979 1.00 0.00 S ATOM 0 H CYS A 126 79.311 2.933 3.707 1.00 0.00 H new ATOM 0 HA CYS A 126 76.643 2.023 2.935 1.00 0.00 H new ATOM 0 HB2 CYS A 126 76.540 3.063 5.394 1.00 0.00 H new ATOM 0 HB3 CYS A 126 76.780 4.589 4.566 1.00 0.00 H new ATOM 0 HG CYS A 126 74.491 2.931 2.876 1.00 0.00 H new ATOM 467 N THR A 127 76.746 3.832 1.183 1.00 0.00 N ATOM 468 CA THR A 127 77.061 4.722 0.036 1.00 0.00 C ATOM 469 C THR A 127 75.780 5.178 -0.678 1.00 0.00 C ATOM 470 O THR A 127 74.718 4.615 -0.503 1.00 0.00 O ATOM 471 CB THR A 127 77.937 3.838 -0.865 1.00 0.00 C ATOM 472 OG1 THR A 127 79.304 4.147 -0.637 1.00 0.00 O ATOM 473 CG2 THR A 127 77.607 4.064 -2.339 1.00 0.00 C ATOM 0 H THR A 127 75.893 3.280 1.090 1.00 0.00 H new ATOM 0 HA THR A 127 77.561 5.645 0.330 1.00 0.00 H new ATOM 0 HB THR A 127 77.741 2.793 -0.623 1.00 0.00 H new ATOM 0 HG1 THR A 127 79.438 4.356 0.311 1.00 0.00 H new ATOM 0 HG21 THR A 127 78.241 3.427 -2.956 1.00 0.00 H new ATOM 0 HG22 THR A 127 76.560 3.818 -2.519 1.00 0.00 H new ATOM 0 HG23 THR A 127 77.784 5.109 -2.595 1.00 0.00 H new ATOM 481 N LEU A 128 75.892 6.190 -1.496 1.00 0.00 N ATOM 482 CA LEU A 128 74.708 6.691 -2.252 1.00 0.00 C ATOM 483 C LEU A 128 75.144 7.070 -3.669 1.00 0.00 C ATOM 484 O LEU A 128 76.102 7.791 -3.860 1.00 0.00 O ATOM 485 CB LEU A 128 74.216 7.924 -1.475 1.00 0.00 C ATOM 486 CG LEU A 128 73.292 8.807 -2.338 1.00 0.00 C ATOM 487 CD1 LEU A 128 74.122 9.853 -3.086 1.00 0.00 C ATOM 488 CD2 LEU A 128 72.509 7.960 -3.353 1.00 0.00 C ATOM 0 H LEU A 128 76.760 6.695 -1.674 1.00 0.00 H new ATOM 0 HA LEU A 128 73.916 5.947 -2.342 1.00 0.00 H new ATOM 0 HB2 LEU A 128 73.682 7.602 -0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 128 75.072 8.510 -1.141 1.00 0.00 H new ATOM 0 HG LEU A 128 72.582 9.302 -1.675 1.00 0.00 H new ATOM 0 HD11 LEU A 128 73.463 10.473 -3.694 1.00 0.00 H new ATOM 0 HD12 LEU A 128 74.650 10.480 -2.368 1.00 0.00 H new ATOM 0 HD13 LEU A 128 74.844 9.352 -3.730 1.00 0.00 H new ATOM 0 HD21 LEU A 128 71.866 8.608 -3.948 1.00 0.00 H new ATOM 0 HD22 LEU A 128 73.207 7.441 -4.009 1.00 0.00 H new ATOM 0 HD23 LEU A 128 71.898 7.230 -2.823 1.00 0.00 H new ATOM 673 N PHE A 140 70.694 5.116 -6.910 1.00 0.00 N ATOM 674 CA PHE A 140 70.698 4.021 -5.892 1.00 0.00 C ATOM 675 C PHE A 140 71.991 4.019 -5.075 1.00 0.00 C ATOM 676 O PHE A 140 73.062 4.299 -5.576 1.00 0.00 O ATOM 677 CB PHE A 140 70.560 2.726 -6.692 1.00 0.00 C ATOM 678 CG PHE A 140 71.759 2.539 -7.593 1.00 0.00 C ATOM 679 CD1 PHE A 140 72.980 2.106 -7.059 1.00 0.00 C ATOM 680 CD2 PHE A 140 71.645 2.790 -8.965 1.00 0.00 C ATOM 681 CE1 PHE A 140 74.086 1.928 -7.901 1.00 0.00 C ATOM 682 CE2 PHE A 140 72.751 2.610 -9.804 1.00 0.00 C ATOM 683 CZ PHE A 140 73.971 2.179 -9.272 1.00 0.00 C ATOM 0 HA PHE A 140 69.889 4.146 -5.172 1.00 0.00 H new ATOM 0 HB2 PHE A 140 70.471 1.878 -6.013 1.00 0.00 H new ATOM 0 HB3 PHE A 140 69.648 2.754 -7.289 1.00 0.00 H new ATOM 0 HD1 PHE A 140 73.069 1.910 -6.001 1.00 0.00 H new ATOM 0 HD2 PHE A 140 70.704 3.123 -9.377 1.00 0.00 H new ATOM 0 HE1 PHE A 140 75.028 1.597 -7.491 1.00 0.00 H new ATOM 0 HE2 PHE A 140 72.662 2.804 -10.863 1.00 0.00 H new ATOM 0 HZ PHE A 140 74.824 2.040 -9.920 1.00 0.00 H new ATOM 693 N GLY A 141 71.890 3.693 -3.813 1.00 0.00 N ATOM 694 CA GLY A 141 73.096 3.657 -2.940 1.00 0.00 C ATOM 695 C GLY A 141 73.253 2.252 -2.353 1.00 0.00 C ATOM 696 O GLY A 141 72.524 1.343 -2.697 1.00 0.00 O ATOM 0 H GLY A 141 71.016 3.449 -3.348 1.00 0.00 H new ATOM 0 HA2 GLY A 141 73.983 3.925 -3.514 1.00 0.00 H new ATOM 0 HA3 GLY A 141 73.001 4.390 -2.139 1.00 0.00 H new ATOM 700 N PHE A 142 74.199 2.063 -1.474 1.00 0.00 N ATOM 701 CA PHE A 142 74.395 0.711 -0.877 1.00 0.00 C ATOM 702 C PHE A 142 74.453 0.795 0.649 1.00 0.00 C ATOM 703 O PHE A 142 74.627 1.853 1.222 1.00 0.00 O ATOM 704 CB PHE A 142 75.743 0.230 -1.411 1.00 0.00 C ATOM 705 CG PHE A 142 75.582 -0.321 -2.802 1.00 0.00 C ATOM 706 CD1 PHE A 142 75.213 0.525 -3.854 1.00 0.00 C ATOM 707 CD2 PHE A 142 75.809 -1.679 -3.038 1.00 0.00 C ATOM 708 CE1 PHE A 142 75.070 0.009 -5.145 1.00 0.00 C ATOM 709 CE2 PHE A 142 75.668 -2.195 -4.332 1.00 0.00 C ATOM 710 CZ PHE A 142 75.298 -1.349 -5.385 1.00 0.00 C ATOM 0 H PHE A 142 74.842 2.783 -1.144 1.00 0.00 H new ATOM 0 HA PHE A 142 73.576 0.039 -1.134 1.00 0.00 H new ATOM 0 HB2 PHE A 142 76.455 1.055 -1.419 1.00 0.00 H new ATOM 0 HB3 PHE A 142 76.151 -0.537 -0.753 1.00 0.00 H new ATOM 0 HD1 PHE A 142 75.039 1.575 -3.669 1.00 0.00 H new ATOM 0 HD2 PHE A 142 76.093 -2.330 -2.224 1.00 0.00 H new ATOM 0 HE1 PHE A 142 74.783 0.660 -5.958 1.00 0.00 H new ATOM 0 HE2 PHE A 142 75.844 -3.244 -4.518 1.00 0.00 H new ATOM 0 HZ PHE A 142 75.189 -1.746 -6.383 1.00 0.00 H new ATOM 720 N VAL A 143 74.336 -0.325 1.308 1.00 0.00 N ATOM 721 CA VAL A 143 74.411 -0.336 2.796 1.00 0.00 C ATOM 722 C VAL A 143 75.216 -1.546 3.248 1.00 0.00 C ATOM 723 O VAL A 143 75.025 -2.651 2.780 1.00 0.00 O ATOM 724 CB VAL A 143 72.960 -0.417 3.286 1.00 0.00 C ATOM 725 CG1 VAL A 143 72.917 -0.997 4.703 1.00 0.00 C ATOM 726 CG2 VAL A 143 72.356 0.987 3.302 1.00 0.00 C ATOM 0 H VAL A 143 74.191 -1.238 0.877 1.00 0.00 H new ATOM 0 HA VAL A 143 74.903 0.549 3.199 1.00 0.00 H new ATOM 0 HB VAL A 143 72.391 -1.062 2.616 1.00 0.00 H new ATOM 0 HG11 VAL A 143 71.883 -1.051 5.043 1.00 0.00 H new ATOM 0 HG12 VAL A 143 73.351 -1.997 4.700 1.00 0.00 H new ATOM 0 HG13 VAL A 143 73.487 -0.356 5.376 1.00 0.00 H new ATOM 0 HG21 VAL A 143 71.324 0.935 3.650 1.00 0.00 H new ATOM 0 HG22 VAL A 143 72.933 1.624 3.972 1.00 0.00 H new ATOM 0 HG23 VAL A 143 72.379 1.405 2.295 1.00 0.00 H new ATOM 736 N LEU A 144 76.126 -1.337 4.147 1.00 0.00 N ATOM 737 CA LEU A 144 76.966 -2.456 4.633 1.00 0.00 C ATOM 738 C LEU A 144 76.842 -2.558 6.153 1.00 0.00 C ATOM 739 O LEU A 144 77.546 -1.899 6.891 1.00 0.00 O ATOM 740 CB LEU A 144 78.375 -2.053 4.212 1.00 0.00 C ATOM 741 CG LEU A 144 78.629 -2.526 2.778 1.00 0.00 C ATOM 742 CD1 LEU A 144 78.041 -1.512 1.792 1.00 0.00 C ATOM 743 CD2 LEU A 144 80.135 -2.649 2.540 1.00 0.00 C ATOM 0 H LEU A 144 76.326 -0.431 4.570 1.00 0.00 H new ATOM 0 HA LEU A 144 76.684 -3.430 4.234 1.00 0.00 H new ATOM 0 HB2 LEU A 144 78.491 -0.971 4.276 1.00 0.00 H new ATOM 0 HB3 LEU A 144 79.109 -2.493 4.888 1.00 0.00 H new ATOM 0 HG LEU A 144 78.155 -3.496 2.629 1.00 0.00 H new ATOM 0 HD11 LEU A 144 78.222 -1.850 0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 144 76.968 -1.422 1.959 1.00 0.00 H new ATOM 0 HD13 LEU A 144 78.514 -0.542 1.943 1.00 0.00 H new ATOM 0 HD21 LEU A 144 80.316 -2.986 1.519 1.00 0.00 H new ATOM 0 HD22 LEU A 144 80.608 -1.679 2.691 1.00 0.00 H new ATOM 0 HD23 LEU A 144 80.556 -3.371 3.240 1.00 0.00 H new ATOM 755 N PHE A 145 75.934 -3.366 6.623 1.00 0.00 N ATOM 756 CA PHE A 145 75.743 -3.497 8.094 1.00 0.00 C ATOM 757 C PHE A 145 76.940 -4.197 8.736 1.00 0.00 C ATOM 758 O PHE A 145 77.750 -4.810 8.070 1.00 0.00 O ATOM 759 CB PHE A 145 74.480 -4.340 8.253 1.00 0.00 C ATOM 760 CG PHE A 145 73.267 -3.444 8.197 1.00 0.00 C ATOM 761 CD1 PHE A 145 73.067 -2.472 9.184 1.00 0.00 C ATOM 762 CD2 PHE A 145 72.343 -3.585 7.155 1.00 0.00 C ATOM 763 CE1 PHE A 145 71.942 -1.640 9.129 1.00 0.00 C ATOM 764 CE2 PHE A 145 71.219 -2.755 7.100 1.00 0.00 C ATOM 765 CZ PHE A 145 71.018 -1.783 8.087 1.00 0.00 C ATOM 0 H PHE A 145 75.315 -3.942 6.052 1.00 0.00 H new ATOM 0 HA PHE A 145 75.654 -2.526 8.582 1.00 0.00 H new ATOM 0 HB2 PHE A 145 74.428 -5.090 7.463 1.00 0.00 H new ATOM 0 HB3 PHE A 145 74.505 -4.877 9.201 1.00 0.00 H new ATOM 0 HD1 PHE A 145 73.780 -2.364 9.988 1.00 0.00 H new ATOM 0 HD2 PHE A 145 72.498 -4.335 6.393 1.00 0.00 H new ATOM 0 HE1 PHE A 145 71.787 -0.889 9.889 1.00 0.00 H new ATOM 0 HE2 PHE A 145 70.506 -2.864 6.296 1.00 0.00 H new ATOM 0 HZ PHE A 145 70.149 -1.143 8.045 1.00 0.00 H new ATOM 775 N LYS A 146 77.056 -4.102 10.031 1.00 0.00 N ATOM 776 CA LYS A 146 78.199 -4.753 10.730 1.00 0.00 C ATOM 777 C LYS A 146 77.808 -6.154 11.215 1.00 0.00 C ATOM 778 O LYS A 146 78.655 -6.995 11.443 1.00 0.00 O ATOM 779 CB LYS A 146 78.507 -3.838 11.917 1.00 0.00 C ATOM 780 CG LYS A 146 79.794 -4.300 12.604 1.00 0.00 C ATOM 781 CD LYS A 146 79.718 -3.973 14.097 1.00 0.00 C ATOM 782 CE LYS A 146 81.133 -3.880 14.674 1.00 0.00 C ATOM 783 NZ LYS A 146 81.569 -2.483 14.402 1.00 0.00 N ATOM 0 H LYS A 146 76.407 -3.600 10.637 1.00 0.00 H new ATOM 0 HA LYS A 146 79.061 -4.880 10.076 1.00 0.00 H new ATOM 0 HB2 LYS A 146 78.615 -2.808 11.576 1.00 0.00 H new ATOM 0 HB3 LYS A 146 77.679 -3.854 12.626 1.00 0.00 H new ATOM 0 HG2 LYS A 146 79.931 -5.372 12.462 1.00 0.00 H new ATOM 0 HG3 LYS A 146 80.656 -3.806 12.156 1.00 0.00 H new ATOM 0 HD2 LYS A 146 79.190 -3.031 14.247 1.00 0.00 H new ATOM 0 HD3 LYS A 146 79.151 -4.743 14.620 1.00 0.00 H new ATOM 0 HE2 LYS A 146 81.138 -4.094 15.743 1.00 0.00 H new ATOM 0 HE3 LYS A 146 81.800 -4.601 14.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 82.607 -2.431 14.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 81.234 -2.192 13.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 81.170 -1.848 15.123 1.00 0.00 H new ATOM 797 N GLU A 147 76.538 -6.422 11.378 1.00 0.00 N ATOM 798 CA GLU A 147 76.126 -7.776 11.848 1.00 0.00 C ATOM 799 C GLU A 147 75.092 -8.381 10.896 1.00 0.00 C ATOM 800 O GLU A 147 74.254 -7.690 10.352 1.00 0.00 O ATOM 801 CB GLU A 147 75.516 -7.546 13.232 1.00 0.00 C ATOM 802 CG GLU A 147 75.206 -8.894 13.884 1.00 0.00 C ATOM 803 CD GLU A 147 74.091 -8.717 14.916 1.00 0.00 C ATOM 804 OE1 GLU A 147 73.098 -8.089 14.585 1.00 0.00 O ATOM 805 OE2 GLU A 147 74.248 -9.213 16.019 1.00 0.00 O ATOM 0 H GLU A 147 75.775 -5.767 11.207 1.00 0.00 H new ATOM 0 HA GLU A 147 76.964 -8.472 11.882 1.00 0.00 H new ATOM 0 HB2 GLU A 147 76.207 -6.979 13.856 1.00 0.00 H new ATOM 0 HB3 GLU A 147 74.605 -6.954 13.146 1.00 0.00 H new ATOM 0 HG2 GLU A 147 74.903 -9.616 13.126 1.00 0.00 H new ATOM 0 HG3 GLU A 147 76.100 -9.292 14.364 1.00 0.00 H new ATOM 812 N SER A 148 75.142 -9.667 10.691 1.00 0.00 N ATOM 813 CA SER A 148 74.154 -10.309 9.778 1.00 0.00 C ATOM 814 C SER A 148 72.742 -10.112 10.329 1.00 0.00 C ATOM 815 O SER A 148 71.795 -9.933 9.588 1.00 0.00 O ATOM 816 CB SER A 148 74.527 -11.791 9.767 1.00 0.00 C ATOM 817 OG SER A 148 75.860 -11.937 9.292 1.00 0.00 O ATOM 0 H SER A 148 75.821 -10.300 11.114 1.00 0.00 H new ATOM 0 HA SER A 148 74.172 -9.883 8.775 1.00 0.00 H new ATOM 0 HB2 SER A 148 74.439 -12.207 10.770 1.00 0.00 H new ATOM 0 HB3 SER A 148 73.839 -12.346 9.130 1.00 0.00 H new ATOM 0 HG SER A 148 76.103 -12.886 9.285 1.00 0.00 H new ATOM 823 N GLU A 149 72.594 -10.135 11.626 1.00 0.00 N ATOM 824 CA GLU A 149 71.244 -9.940 12.221 1.00 0.00 C ATOM 825 C GLU A 149 70.723 -8.542 11.880 1.00 0.00 C ATOM 826 O GLU A 149 69.600 -8.377 11.450 1.00 0.00 O ATOM 827 CB GLU A 149 71.445 -10.086 13.729 1.00 0.00 C ATOM 828 CG GLU A 149 70.768 -11.370 14.214 1.00 0.00 C ATOM 829 CD GLU A 149 71.757 -12.182 15.050 1.00 0.00 C ATOM 830 OE1 GLU A 149 72.516 -12.938 14.466 1.00 0.00 O ATOM 831 OE2 GLU A 149 71.742 -12.032 16.260 1.00 0.00 O ATOM 0 H GLU A 149 73.349 -10.280 12.297 1.00 0.00 H new ATOM 0 HA GLU A 149 70.516 -10.657 11.841 1.00 0.00 H new ATOM 0 HB2 GLU A 149 72.509 -10.113 13.964 1.00 0.00 H new ATOM 0 HB3 GLU A 149 71.026 -9.224 14.247 1.00 0.00 H new ATOM 0 HG2 GLU A 149 69.887 -11.127 14.808 1.00 0.00 H new ATOM 0 HG3 GLU A 149 70.427 -11.958 13.362 1.00 0.00 H new ATOM 838 N SER A 150 71.535 -7.534 12.065 1.00 0.00 N ATOM 839 CA SER A 150 71.080 -6.152 11.743 1.00 0.00 C ATOM 840 C SER A 150 70.658 -6.072 10.274 1.00 0.00 C ATOM 841 O SER A 150 69.706 -5.399 9.923 1.00 0.00 O ATOM 842 CB SER A 150 72.292 -5.250 12.011 1.00 0.00 C ATOM 843 OG SER A 150 73.490 -5.920 11.629 1.00 0.00 O ATOM 0 H SER A 150 72.487 -7.608 12.423 1.00 0.00 H new ATOM 0 HA SER A 150 70.220 -5.850 12.340 1.00 0.00 H new ATOM 0 HB2 SER A 150 72.193 -4.318 11.454 1.00 0.00 H new ATOM 0 HB3 SER A 150 72.334 -4.987 13.068 1.00 0.00 H new ATOM 0 HG SER A 150 73.333 -6.426 10.804 1.00 0.00 H new ATOM 849 N VAL A 151 71.356 -6.756 9.409 1.00 0.00 N ATOM 850 CA VAL A 151 70.991 -6.717 7.964 1.00 0.00 C ATOM 851 C VAL A 151 69.627 -7.377 7.750 1.00 0.00 C ATOM 852 O VAL A 151 68.706 -6.769 7.244 1.00 0.00 O ATOM 853 CB VAL A 151 72.085 -7.504 7.236 1.00 0.00 C ATOM 854 CG1 VAL A 151 72.066 -7.133 5.750 1.00 0.00 C ATOM 855 CG2 VAL A 151 73.453 -7.156 7.822 1.00 0.00 C ATOM 0 H VAL A 151 72.161 -7.339 9.639 1.00 0.00 H new ATOM 0 HA VAL A 151 70.920 -5.695 7.591 1.00 0.00 H new ATOM 0 HB VAL A 151 71.902 -8.572 7.357 1.00 0.00 H new ATOM 0 HG11 VAL A 151 72.843 -7.690 5.226 1.00 0.00 H new ATOM 0 HG12 VAL A 151 71.093 -7.380 5.326 1.00 0.00 H new ATOM 0 HG13 VAL A 151 72.249 -6.064 5.639 1.00 0.00 H new ATOM 0 HG21 VAL A 151 74.226 -7.719 7.300 1.00 0.00 H new ATOM 0 HG22 VAL A 151 73.639 -6.089 7.703 1.00 0.00 H new ATOM 0 HG23 VAL A 151 73.471 -7.412 8.881 1.00 0.00 H new ATOM 865 N ASP A 152 69.487 -8.616 8.132 1.00 0.00 N ATOM 866 CA ASP A 152 68.176 -9.302 7.944 1.00 0.00 C ATOM 867 C ASP A 152 67.048 -8.454 8.548 1.00 0.00 C ATOM 868 O ASP A 152 65.922 -8.488 8.094 1.00 0.00 O ATOM 869 CB ASP A 152 68.321 -10.652 8.666 1.00 0.00 C ATOM 870 CG ASP A 152 67.839 -10.544 10.117 1.00 0.00 C ATOM 871 OD1 ASP A 152 66.635 -10.533 10.320 1.00 0.00 O ATOM 872 OD2 ASP A 152 68.678 -10.474 10.997 1.00 0.00 O ATOM 0 H ASP A 152 70.218 -9.181 8.564 1.00 0.00 H new ATOM 0 HA ASP A 152 67.923 -9.445 6.893 1.00 0.00 H new ATOM 0 HB2 ASP A 152 67.745 -11.414 8.142 1.00 0.00 H new ATOM 0 HB3 ASP A 152 69.363 -10.971 8.646 1.00 0.00 H new ATOM 877 N LYS A 153 67.345 -7.696 9.569 1.00 0.00 N ATOM 878 CA LYS A 153 66.292 -6.849 10.202 1.00 0.00 C ATOM 879 C LYS A 153 65.874 -5.725 9.249 1.00 0.00 C ATOM 880 O LYS A 153 64.716 -5.374 9.160 1.00 0.00 O ATOM 881 CB LYS A 153 66.947 -6.275 11.459 1.00 0.00 C ATOM 882 CG LYS A 153 66.300 -6.897 12.697 1.00 0.00 C ATOM 883 CD LYS A 153 67.267 -6.808 13.878 1.00 0.00 C ATOM 884 CE LYS A 153 66.834 -7.790 14.968 1.00 0.00 C ATOM 885 NZ LYS A 153 68.106 -8.324 15.531 1.00 0.00 N ATOM 0 H LYS A 153 68.270 -7.626 9.992 1.00 0.00 H new ATOM 0 HA LYS A 153 65.391 -7.416 10.437 1.00 0.00 H new ATOM 0 HB2 LYS A 153 68.017 -6.482 11.452 1.00 0.00 H new ATOM 0 HB3 LYS A 153 66.832 -5.191 11.480 1.00 0.00 H new ATOM 0 HG2 LYS A 153 65.371 -6.378 12.934 1.00 0.00 H new ATOM 0 HG3 LYS A 153 66.043 -7.938 12.502 1.00 0.00 H new ATOM 0 HD2 LYS A 153 68.281 -7.037 13.549 1.00 0.00 H new ATOM 0 HD3 LYS A 153 67.282 -5.792 14.274 1.00 0.00 H new ATOM 0 HE2 LYS A 153 66.241 -7.292 15.735 1.00 0.00 H new ATOM 0 HE3 LYS A 153 66.218 -8.590 14.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 67.892 -9.006 16.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 68.646 -8.798 14.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 68.669 -7.541 15.921 1.00 0.00 H new ATOM 899 N VAL A 154 66.809 -5.158 8.537 1.00 0.00 N ATOM 900 CA VAL A 154 66.454 -4.059 7.591 1.00 0.00 C ATOM 901 C VAL A 154 65.818 -4.641 6.325 1.00 0.00 C ATOM 902 O VAL A 154 65.169 -3.945 5.569 1.00 0.00 O ATOM 903 CB VAL A 154 67.784 -3.368 7.270 1.00 0.00 C ATOM 904 CG1 VAL A 154 68.633 -4.273 6.375 1.00 0.00 C ATOM 905 CG2 VAL A 154 67.517 -2.046 6.543 1.00 0.00 C ATOM 0 H VAL A 154 67.798 -5.405 8.568 1.00 0.00 H new ATOM 0 HA VAL A 154 65.730 -3.361 8.013 1.00 0.00 H new ATOM 0 HB VAL A 154 68.317 -3.172 8.200 1.00 0.00 H new ATOM 0 HG11 VAL A 154 69.578 -3.778 6.149 1.00 0.00 H new ATOM 0 HG12 VAL A 154 68.830 -5.213 6.890 1.00 0.00 H new ATOM 0 HG13 VAL A 154 68.097 -4.473 5.447 1.00 0.00 H new ATOM 0 HG21 VAL A 154 68.465 -1.558 6.316 1.00 0.00 H new ATOM 0 HG22 VAL A 154 66.979 -2.243 5.615 1.00 0.00 H new ATOM 0 HG23 VAL A 154 66.917 -1.396 7.179 1.00 0.00 H new ATOM 915 N MET A 155 65.998 -5.913 6.089 1.00 0.00 N ATOM 916 CA MET A 155 65.403 -6.538 4.873 1.00 0.00 C ATOM 917 C MET A 155 63.999 -7.074 5.176 1.00 0.00 C ATOM 918 O MET A 155 63.098 -6.962 4.370 1.00 0.00 O ATOM 919 CB MET A 155 66.350 -7.683 4.510 1.00 0.00 C ATOM 920 CG MET A 155 67.488 -7.150 3.638 1.00 0.00 C ATOM 921 SD MET A 155 69.044 -7.226 4.561 1.00 0.00 S ATOM 922 CE MET A 155 70.153 -7.267 3.132 1.00 0.00 C ATOM 0 H MET A 155 66.531 -6.546 6.686 1.00 0.00 H new ATOM 0 HA MET A 155 65.295 -5.824 4.057 1.00 0.00 H new ATOM 0 HB2 MET A 155 66.754 -8.136 5.416 1.00 0.00 H new ATOM 0 HB3 MET A 155 65.806 -8.464 3.979 1.00 0.00 H new ATOM 0 HG2 MET A 155 67.566 -7.739 2.724 1.00 0.00 H new ATOM 0 HG3 MET A 155 67.280 -6.123 3.339 1.00 0.00 H new ATOM 0 HE1 MET A 155 71.035 -6.661 3.338 1.00 0.00 H new ATOM 0 HE2 MET A 155 70.457 -8.295 2.937 1.00 0.00 H new ATOM 0 HE3 MET A 155 69.636 -6.870 2.259 1.00 0.00 H new ATOM 932 N ASP A 156 63.801 -7.656 6.330 1.00 0.00 N ATOM 933 CA ASP A 156 62.449 -8.191 6.662 1.00 0.00 C ATOM 934 C ASP A 156 61.396 -7.097 6.466 1.00 0.00 C ATOM 935 O ASP A 156 60.281 -7.359 6.060 1.00 0.00 O ATOM 936 CB ASP A 156 62.529 -8.620 8.134 1.00 0.00 C ATOM 937 CG ASP A 156 62.396 -7.398 9.049 1.00 0.00 C ATOM 938 OD1 ASP A 156 61.360 -6.754 9.001 1.00 0.00 O ATOM 939 OD2 ASP A 156 63.329 -7.131 9.787 1.00 0.00 O ATOM 0 H ASP A 156 64.511 -7.783 7.051 1.00 0.00 H new ATOM 0 HA ASP A 156 62.164 -9.026 6.022 1.00 0.00 H new ATOM 0 HB2 ASP A 156 61.738 -9.337 8.355 1.00 0.00 H new ATOM 0 HB3 ASP A 156 63.477 -9.123 8.323 1.00 0.00 H new ATOM 944 N GLN A 157 61.748 -5.873 6.749 1.00 0.00 N ATOM 945 CA GLN A 157 60.776 -4.755 6.578 1.00 0.00 C ATOM 946 C GLN A 157 61.300 -3.770 5.531 1.00 0.00 C ATOM 947 O GLN A 157 61.984 -2.817 5.850 1.00 0.00 O ATOM 948 CB GLN A 157 60.701 -4.085 7.951 1.00 0.00 C ATOM 949 CG GLN A 157 59.428 -4.532 8.675 1.00 0.00 C ATOM 950 CD GLN A 157 59.573 -4.263 10.174 1.00 0.00 C ATOM 951 OE1 GLN A 157 58.980 -4.946 10.986 1.00 0.00 O ATOM 952 NE2 GLN A 157 60.341 -3.289 10.579 1.00 0.00 N ATOM 0 H GLN A 157 62.668 -5.598 7.092 1.00 0.00 H new ATOM 0 HA GLN A 157 59.799 -5.098 6.239 1.00 0.00 H new ATOM 0 HB2 GLN A 157 61.578 -4.347 8.543 1.00 0.00 H new ATOM 0 HB3 GLN A 157 60.705 -3.001 7.838 1.00 0.00 H new ATOM 0 HG2 GLN A 157 58.565 -3.996 8.280 1.00 0.00 H new ATOM 0 HG3 GLN A 157 59.251 -5.593 8.500 1.00 0.00 H new ATOM 0 HE21 GLN A 157 60.839 -2.715 9.898 1.00 0.00 H new ATOM 0 HE22 GLN A 157 60.443 -3.101 11.576 1.00 0.00 H new ATOM 961 N LYS A 158 60.993 -3.994 4.282 1.00 0.00 N ATOM 962 CA LYS A 158 61.486 -3.070 3.220 1.00 0.00 C ATOM 963 C LYS A 158 60.534 -1.894 3.036 1.00 0.00 C ATOM 964 O LYS A 158 60.497 -1.271 1.994 1.00 0.00 O ATOM 965 CB LYS A 158 61.557 -3.917 1.951 1.00 0.00 C ATOM 966 CG LYS A 158 60.152 -4.385 1.571 1.00 0.00 C ATOM 967 CD LYS A 158 60.159 -4.923 0.140 1.00 0.00 C ATOM 968 CE LYS A 158 58.760 -5.424 -0.221 1.00 0.00 C ATOM 969 NZ LYS A 158 58.439 -4.763 -1.516 1.00 0.00 N ATOM 0 H LYS A 158 60.424 -4.774 3.952 1.00 0.00 H new ATOM 0 HA LYS A 158 62.455 -2.641 3.475 1.00 0.00 H new ATOM 0 HB2 LYS A 158 61.991 -3.336 1.137 1.00 0.00 H new ATOM 0 HB3 LYS A 158 62.207 -4.777 2.111 1.00 0.00 H new ATOM 0 HG2 LYS A 158 59.818 -5.161 2.260 1.00 0.00 H new ATOM 0 HG3 LYS A 158 59.447 -3.558 1.656 1.00 0.00 H new ATOM 0 HD2 LYS A 158 60.467 -4.140 -0.553 1.00 0.00 H new ATOM 0 HD3 LYS A 158 60.882 -5.733 0.048 1.00 0.00 H new ATOM 0 HE2 LYS A 158 58.741 -6.510 -0.316 1.00 0.00 H new ATOM 0 HE3 LYS A 158 58.035 -5.159 0.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 57.492 -5.057 -1.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 58.458 -3.730 -1.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 59.142 -5.039 -2.230 1.00 0.00 H new ATOM 983 N GLU A 159 59.804 -1.550 4.053 1.00 0.00 N ATOM 984 CA GLU A 159 58.911 -0.376 3.941 1.00 0.00 C ATOM 985 C GLU A 159 59.737 0.830 4.340 1.00 0.00 C ATOM 986 O GLU A 159 59.484 1.493 5.327 1.00 0.00 O ATOM 987 CB GLU A 159 57.796 -0.605 4.941 1.00 0.00 C ATOM 988 CG GLU A 159 57.035 -1.886 4.593 1.00 0.00 C ATOM 989 CD GLU A 159 56.996 -2.804 5.814 1.00 0.00 C ATOM 990 OE1 GLU A 159 58.025 -2.951 6.454 1.00 0.00 O ATOM 991 OE2 GLU A 159 55.939 -3.346 6.090 1.00 0.00 O ATOM 0 H GLU A 159 59.788 -2.030 4.953 1.00 0.00 H new ATOM 0 HA GLU A 159 58.499 -0.227 2.943 1.00 0.00 H new ATOM 0 HB2 GLU A 159 58.209 -0.679 5.947 1.00 0.00 H new ATOM 0 HB3 GLU A 159 57.114 0.245 4.938 1.00 0.00 H new ATOM 0 HG2 GLU A 159 56.021 -1.644 4.274 1.00 0.00 H new ATOM 0 HG3 GLU A 159 57.519 -2.394 3.759 1.00 0.00 H new ATOM 998 N HIS A 160 60.760 1.074 3.591 1.00 0.00 N ATOM 999 CA HIS A 160 61.682 2.189 3.906 1.00 0.00 C ATOM 1000 C HIS A 160 61.185 3.491 3.280 1.00 0.00 C ATOM 1001 O HIS A 160 60.475 3.486 2.296 1.00 0.00 O ATOM 1002 CB HIS A 160 63.006 1.781 3.274 1.00 0.00 C ATOM 1003 CG HIS A 160 63.505 0.528 3.931 1.00 0.00 C ATOM 1004 ND1 HIS A 160 64.868 0.234 4.039 1.00 0.00 N ATOM 1005 CD2 HIS A 160 62.843 -0.523 4.524 1.00 0.00 C ATOM 1006 CE1 HIS A 160 64.980 -0.950 4.672 1.00 0.00 C ATOM 1007 NE2 HIS A 160 63.783 -1.427 4.975 1.00 0.00 N ATOM 0 H HIS A 160 61.004 0.540 2.757 1.00 0.00 H new ATOM 0 HA HIS A 160 61.763 2.363 4.979 1.00 0.00 H new ATOM 0 HB2 HIS A 160 62.876 1.617 2.204 1.00 0.00 H new ATOM 0 HB3 HIS A 160 63.738 2.581 3.387 1.00 0.00 H new ATOM 0 HD2 HIS A 160 61.772 -0.623 4.620 1.00 0.00 H new ATOM 0 HE1 HIS A 160 65.915 -1.441 4.900 1.00 0.00 H new ATOM 0 HE2 HIS A 160 63.590 -2.306 5.456 1.00 0.00 H new ATOM 1015 N LYS A 161 61.558 4.606 3.841 1.00 0.00 N ATOM 1016 CA LYS A 161 61.113 5.909 3.274 1.00 0.00 C ATOM 1017 C LYS A 161 62.160 6.986 3.567 1.00 0.00 C ATOM 1018 O LYS A 161 62.067 7.713 4.537 1.00 0.00 O ATOM 1019 CB LYS A 161 59.794 6.222 3.982 1.00 0.00 C ATOM 1020 CG LYS A 161 58.863 5.012 3.874 1.00 0.00 C ATOM 1021 CD LYS A 161 57.450 5.404 4.311 1.00 0.00 C ATOM 1022 CE LYS A 161 56.618 4.139 4.532 1.00 0.00 C ATOM 1023 NZ LYS A 161 56.221 3.699 3.166 1.00 0.00 N ATOM 0 H LYS A 161 62.152 4.672 4.668 1.00 0.00 H new ATOM 0 HA LYS A 161 60.987 5.874 2.192 1.00 0.00 H new ATOM 0 HB2 LYS A 161 59.978 6.462 5.029 1.00 0.00 H new ATOM 0 HB3 LYS A 161 59.325 7.097 3.532 1.00 0.00 H new ATOM 0 HG2 LYS A 161 58.847 4.644 2.848 1.00 0.00 H new ATOM 0 HG3 LYS A 161 59.234 4.199 4.498 1.00 0.00 H new ATOM 0 HD2 LYS A 161 57.491 5.991 5.229 1.00 0.00 H new ATOM 0 HD3 LYS A 161 56.983 6.032 3.552 1.00 0.00 H new ATOM 0 HE2 LYS A 161 57.197 3.369 5.042 1.00 0.00 H new ATOM 0 HE3 LYS A 161 55.744 4.344 5.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 55.200 3.848 3.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 56.744 4.252 2.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 56.441 2.689 3.049 1.00 0.00 H new ATOM 1037 N LEU A 162 63.155 7.094 2.731 1.00 0.00 N ATOM 1038 CA LEU A 162 64.208 8.124 2.958 1.00 0.00 C ATOM 1039 C LEU A 162 63.942 9.340 2.066 1.00 0.00 C ATOM 1040 O LEU A 162 63.586 9.209 0.912 1.00 0.00 O ATOM 1041 CB LEU A 162 65.535 7.453 2.574 1.00 0.00 C ATOM 1042 CG LEU A 162 65.564 6.003 3.073 1.00 0.00 C ATOM 1043 CD1 LEU A 162 65.013 5.071 1.992 1.00 0.00 C ATOM 1044 CD2 LEU A 162 67.010 5.605 3.385 1.00 0.00 C ATOM 0 H LEU A 162 63.285 6.515 1.902 1.00 0.00 H new ATOM 0 HA LEU A 162 64.225 8.474 3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 162 65.661 7.475 1.492 1.00 0.00 H new ATOM 0 HB3 LEU A 162 66.369 8.009 3.003 1.00 0.00 H new ATOM 0 HG LEU A 162 64.952 5.920 3.971 1.00 0.00 H new ATOM 0 HD11 LEU A 162 65.036 4.042 2.352 1.00 0.00 H new ATOM 0 HD12 LEU A 162 63.986 5.351 1.759 1.00 0.00 H new ATOM 0 HD13 LEU A 162 65.624 5.155 1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 162 67.035 4.575 3.740 1.00 0.00 H new ATOM 0 HD22 LEU A 162 67.614 5.693 2.482 1.00 0.00 H new ATOM 0 HD23 LEU A 162 67.411 6.264 4.155 1.00 0.00 H new ATOM 1056 N ASN A 163 64.106 10.522 2.594 1.00 0.00 N ATOM 1057 CA ASN A 163 63.859 11.747 1.778 1.00 0.00 C ATOM 1058 C ASN A 163 62.411 11.768 1.274 1.00 0.00 C ATOM 1059 O ASN A 163 62.081 12.463 0.333 1.00 0.00 O ATOM 1060 CB ASN A 163 64.842 11.652 0.607 1.00 0.00 C ATOM 1061 CG ASN A 163 66.265 11.493 1.146 1.00 0.00 C ATOM 1062 OD1 ASN A 163 67.098 10.867 0.520 1.00 0.00 O ATOM 1063 ND2 ASN A 163 66.581 12.038 2.288 1.00 0.00 N ATOM 0 H ASN A 163 64.400 10.694 3.555 1.00 0.00 H new ATOM 0 HA ASN A 163 64.003 12.662 2.353 1.00 0.00 H new ATOM 0 HB2 ASN A 163 64.586 10.804 -0.029 1.00 0.00 H new ATOM 0 HB3 ASN A 163 64.774 12.547 -0.012 1.00 0.00 H new ATOM 0 HD21 ASN A 163 67.527 11.939 2.656 1.00 0.00 H new ATOM 0 HD22 ASN A 163 65.882 12.563 2.813 1.00 0.00 H new ATOM 1070 N GLY A 164 61.542 11.016 1.896 1.00 0.00 N ATOM 1071 CA GLY A 164 60.116 10.998 1.457 1.00 0.00 C ATOM 1072 C GLY A 164 59.953 10.045 0.271 1.00 0.00 C ATOM 1073 O GLY A 164 59.129 10.256 -0.598 1.00 0.00 O ATOM 0 H GLY A 164 61.758 10.413 2.690 1.00 0.00 H new ATOM 0 HA2 GLY A 164 59.476 10.682 2.281 1.00 0.00 H new ATOM 0 HA3 GLY A 164 59.800 12.002 1.175 1.00 0.00 H new ATOM 1077 N LYS A 165 60.732 8.999 0.224 1.00 0.00 N ATOM 1078 CA LYS A 165 60.624 8.038 -0.910 1.00 0.00 C ATOM 1079 C LYS A 165 61.014 6.629 -0.449 1.00 0.00 C ATOM 1080 O LYS A 165 61.829 6.464 0.435 1.00 0.00 O ATOM 1081 CB LYS A 165 61.615 8.556 -1.950 1.00 0.00 C ATOM 1082 CG LYS A 165 61.741 7.546 -3.090 1.00 0.00 C ATOM 1083 CD LYS A 165 63.218 7.252 -3.348 1.00 0.00 C ATOM 1084 CE LYS A 165 63.745 6.294 -2.275 1.00 0.00 C ATOM 1085 NZ LYS A 165 64.846 7.036 -1.601 1.00 0.00 N ATOM 0 H LYS A 165 61.439 8.768 0.922 1.00 0.00 H new ATOM 0 HA LYS A 165 59.610 7.971 -1.305 1.00 0.00 H new ATOM 0 HB2 LYS A 165 61.280 9.518 -2.339 1.00 0.00 H new ATOM 0 HB3 LYS A 165 62.588 8.721 -1.488 1.00 0.00 H new ATOM 0 HG2 LYS A 165 61.215 6.626 -2.835 1.00 0.00 H new ATOM 0 HG3 LYS A 165 61.274 7.940 -3.993 1.00 0.00 H new ATOM 0 HD2 LYS A 165 63.344 6.812 -4.337 1.00 0.00 H new ATOM 0 HD3 LYS A 165 63.791 8.179 -3.336 1.00 0.00 H new ATOM 0 HE2 LYS A 165 62.961 6.024 -1.568 1.00 0.00 H new ATOM 0 HE3 LYS A 165 64.108 5.367 -2.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 65.582 6.366 -1.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 65.257 7.725 -2.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 64.470 7.536 -0.770 1.00 0.00 H new ATOM 1099 N VAL A 166 60.449 5.612 -1.044 1.00 0.00 N ATOM 1100 CA VAL A 166 60.801 4.220 -0.633 1.00 0.00 C ATOM 1101 C VAL A 166 61.985 3.703 -1.458 1.00 0.00 C ATOM 1102 O VAL A 166 62.279 4.205 -2.524 1.00 0.00 O ATOM 1103 CB VAL A 166 59.548 3.387 -0.907 1.00 0.00 C ATOM 1104 CG1 VAL A 166 59.911 1.900 -0.888 1.00 0.00 C ATOM 1105 CG2 VAL A 166 58.504 3.667 0.175 1.00 0.00 C ATOM 0 H VAL A 166 59.761 5.684 -1.794 1.00 0.00 H new ATOM 0 HA VAL A 166 61.099 4.167 0.414 1.00 0.00 H new ATOM 0 HB VAL A 166 59.142 3.652 -1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 166 59.019 1.305 -1.083 1.00 0.00 H new ATOM 0 HG12 VAL A 166 60.657 1.698 -1.656 1.00 0.00 H new ATOM 0 HG13 VAL A 166 60.316 1.637 0.089 1.00 0.00 H new ATOM 0 HG21 VAL A 166 57.610 3.074 -0.019 1.00 0.00 H new ATOM 0 HG22 VAL A 166 58.911 3.401 1.151 1.00 0.00 H new ATOM 0 HG23 VAL A 166 58.246 4.726 0.166 1.00 0.00 H new ATOM 1115 N ILE A 167 62.669 2.702 -0.968 1.00 0.00 N ATOM 1116 CA ILE A 167 63.842 2.156 -1.720 1.00 0.00 C ATOM 1117 C ILE A 167 63.645 0.682 -2.055 1.00 0.00 C ATOM 1118 O ILE A 167 62.633 0.081 -1.752 1.00 0.00 O ATOM 1119 CB ILE A 167 65.052 2.278 -0.783 1.00 0.00 C ATOM 1120 CG1 ILE A 167 64.607 2.175 0.680 1.00 0.00 C ATOM 1121 CG2 ILE A 167 65.766 3.607 -1.011 1.00 0.00 C ATOM 1122 CD1 ILE A 167 65.832 1.980 1.574 1.00 0.00 C ATOM 0 H ILE A 167 62.468 2.239 -0.082 1.00 0.00 H new ATOM 0 HA ILE A 167 63.973 2.703 -2.654 1.00 0.00 H new ATOM 0 HB ILE A 167 65.740 1.462 -1.003 1.00 0.00 H new ATOM 0 HG12 ILE A 167 64.070 3.078 0.972 1.00 0.00 H new ATOM 0 HG13 ILE A 167 63.917 1.340 0.803 1.00 0.00 H new ATOM 0 HG21 ILE A 167 66.622 3.680 -0.340 1.00 0.00 H new ATOM 0 HG22 ILE A 167 66.109 3.663 -2.044 1.00 0.00 H new ATOM 0 HG23 ILE A 167 65.078 4.429 -0.812 1.00 0.00 H new ATOM 0 HD11 ILE A 167 65.515 1.907 2.614 1.00 0.00 H new ATOM 0 HD12 ILE A 167 66.350 1.065 1.287 1.00 0.00 H new ATOM 0 HD13 ILE A 167 66.505 2.829 1.459 1.00 0.00 H new ATOM 1134 N ASP A 168 64.642 0.093 -2.650 1.00 0.00 N ATOM 1135 CA ASP A 168 64.584 -1.352 -2.989 1.00 0.00 C ATOM 1136 C ASP A 168 65.783 -2.039 -2.334 1.00 0.00 C ATOM 1137 O ASP A 168 66.801 -2.250 -2.965 1.00 0.00 O ATOM 1138 CB ASP A 168 64.681 -1.416 -4.514 1.00 0.00 C ATOM 1139 CG ASP A 168 64.042 -2.714 -5.011 1.00 0.00 C ATOM 1140 OD1 ASP A 168 64.223 -3.728 -4.357 1.00 0.00 O ATOM 1141 OD2 ASP A 168 63.383 -2.671 -6.036 1.00 0.00 O ATOM 0 H ASP A 168 65.508 0.560 -2.919 1.00 0.00 H new ATOM 0 HA ASP A 168 63.677 -1.845 -2.640 1.00 0.00 H new ATOM 0 HB2 ASP A 168 64.177 -0.557 -4.958 1.00 0.00 H new ATOM 0 HB3 ASP A 168 65.725 -1.369 -4.825 1.00 0.00 H new ATOM 1146 N PRO A 169 65.625 -2.334 -1.071 1.00 0.00 N ATOM 1147 CA PRO A 169 66.712 -2.973 -0.292 1.00 0.00 C ATOM 1148 C PRO A 169 66.860 -4.448 -0.671 1.00 0.00 C ATOM 1149 O PRO A 169 65.900 -5.191 -0.714 1.00 0.00 O ATOM 1150 CB PRO A 169 66.250 -2.828 1.155 1.00 0.00 C ATOM 1151 CG PRO A 169 64.761 -2.703 1.082 1.00 0.00 C ATOM 1152 CD PRO A 169 64.425 -2.099 -0.259 1.00 0.00 C ATOM 0 HA PRO A 169 67.686 -2.519 -0.473 1.00 0.00 H new ATOM 0 HB2 PRO A 169 66.544 -3.693 1.750 1.00 0.00 H new ATOM 0 HB3 PRO A 169 66.696 -1.951 1.625 1.00 0.00 H new ATOM 0 HG2 PRO A 169 64.288 -3.679 1.193 1.00 0.00 H new ATOM 0 HG3 PRO A 169 64.388 -2.074 1.891 1.00 0.00 H new ATOM 0 HD2 PRO A 169 63.547 -2.571 -0.700 1.00 0.00 H new ATOM 0 HD3 PRO A 169 64.205 -1.035 -0.173 1.00 0.00 H new ATOM 1160 N LYS A 170 68.063 -4.874 -0.940 1.00 0.00 N ATOM 1161 CA LYS A 170 68.285 -6.300 -1.310 1.00 0.00 C ATOM 1162 C LYS A 170 69.644 -6.770 -0.810 1.00 0.00 C ATOM 1163 O LYS A 170 70.294 -6.114 -0.019 1.00 0.00 O ATOM 1164 CB LYS A 170 68.275 -6.335 -2.830 1.00 0.00 C ATOM 1165 CG LYS A 170 66.910 -6.813 -3.326 1.00 0.00 C ATOM 1166 CD LYS A 170 66.898 -8.342 -3.396 1.00 0.00 C ATOM 1167 CE LYS A 170 65.664 -8.807 -4.170 1.00 0.00 C ATOM 1168 NZ LYS A 170 64.711 -9.279 -3.127 1.00 0.00 N ATOM 0 H LYS A 170 68.903 -4.296 -0.920 1.00 0.00 H new ATOM 0 HA LYS A 170 67.524 -6.946 -0.873 1.00 0.00 H new ATOM 0 HB2 LYS A 170 68.490 -5.343 -3.228 1.00 0.00 H new ATOM 0 HB3 LYS A 170 69.058 -7.001 -3.193 1.00 0.00 H new ATOM 0 HG2 LYS A 170 66.125 -6.463 -2.656 1.00 0.00 H new ATOM 0 HG3 LYS A 170 66.701 -6.392 -4.309 1.00 0.00 H new ATOM 0 HD2 LYS A 170 67.804 -8.701 -3.884 1.00 0.00 H new ATOM 0 HD3 LYS A 170 66.890 -8.763 -2.391 1.00 0.00 H new ATOM 0 HE2 LYS A 170 65.236 -7.994 -4.757 1.00 0.00 H new ATOM 0 HE3 LYS A 170 65.914 -9.606 -4.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 63.838 -9.615 -3.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 65.143 -10.057 -2.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 64.486 -8.495 -2.482 1.00 0.00 H new ATOM 1182 N ARG A 171 70.082 -7.900 -1.282 1.00 0.00 N ATOM 1183 CA ARG A 171 71.402 -8.418 -0.851 1.00 0.00 C ATOM 1184 C ARG A 171 72.498 -7.902 -1.782 1.00 0.00 C ATOM 1185 O ARG A 171 72.270 -7.041 -2.609 1.00 0.00 O ATOM 1186 CB ARG A 171 71.285 -9.940 -0.940 1.00 0.00 C ATOM 1187 CG ARG A 171 70.378 -10.450 0.181 1.00 0.00 C ATOM 1188 CD ARG A 171 70.914 -11.786 0.704 1.00 0.00 C ATOM 1189 NE ARG A 171 70.044 -12.124 1.865 1.00 0.00 N ATOM 1190 CZ ARG A 171 70.100 -13.315 2.396 1.00 0.00 C ATOM 1191 NH1 ARG A 171 71.258 -13.865 2.643 1.00 0.00 N ATOM 1192 NH2 ARG A 171 68.999 -13.956 2.679 1.00 0.00 N ATOM 0 H ARG A 171 69.581 -8.487 -1.949 1.00 0.00 H new ATOM 0 HA ARG A 171 71.665 -8.094 0.156 1.00 0.00 H new ATOM 0 HB2 ARG A 171 70.879 -10.228 -1.910 1.00 0.00 H new ATOM 0 HB3 ARG A 171 72.272 -10.396 -0.860 1.00 0.00 H new ATOM 0 HG2 ARG A 171 70.337 -9.721 0.990 1.00 0.00 H new ATOM 0 HG3 ARG A 171 69.360 -10.574 -0.188 1.00 0.00 H new ATOM 0 HD2 ARG A 171 70.865 -12.558 -0.064 1.00 0.00 H new ATOM 0 HD3 ARG A 171 71.958 -11.701 1.005 1.00 0.00 H new ATOM 0 HE ARG A 171 69.405 -11.425 2.245 1.00 0.00 H new ATOM 0 HH11 ARG A 171 72.118 -13.364 2.421 1.00 0.00 H new ATOM 0 HH12 ARG A 171 71.302 -14.796 3.058 1.00 0.00 H new ATOM 0 HH21 ARG A 171 68.094 -13.526 2.485 1.00 0.00 H new ATOM 0 HH22 ARG A 171 69.043 -14.887 3.094 1.00 0.00 H new