USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=13 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 105 SER OG : rot -39:sc= 0.933 USER MOD Set 1.2: A 165 LYS NZ :NH3+ 172:sc= 1.4 (180deg=0.296) USER MOD Set 2.1: A 116 TYR OH : rot -165:sc= 1.18 USER MOD Set 2.2: A 160 HIS : no HD1:sc= -7.54! C(o=-6.4!,f=-16!) USER MOD Set 3.1: A 108 THR OG1 : rot 93:sc= -0.945! USER MOD Set 3.2: A 163 ASN : amide:sc= -9.34! C(o=-10!,f=-14!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 167:sc= -9.25! (180deg=-10.8!) USER MOD Single : A 109 THR OG1 : rot -44:sc= 0.785 USER MOD Single : A 110 LYS NZ :NH3+ 155:sc= -0.0424 (180deg=-0.58) 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 -81:sc= 0.784 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 CYS SG : rot 7:sc= -4.49 USER MOD Single : A 127 THR OG1 : rot 36:sc= 0.219 USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 SER OG : rot 180:sc= 0 USER MOD Single : A 150 SER OG : rot 9:sc= -1.08! 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= 0.503 K(o=0.5,f=-0.056) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 170 LYS NZ :NH3+ -154:sc= -0.129 (180deg=-1.16) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 98 76.744 -7.177 3.486 1.00 0.00 N ATOM 2 CA LYS A 98 76.470 -5.968 2.661 1.00 0.00 C ATOM 3 C LYS A 98 75.178 -6.136 1.857 1.00 0.00 C ATOM 4 O LYS A 98 74.893 -7.192 1.329 1.00 0.00 O ATOM 5 CB LYS A 98 77.662 -5.856 1.708 1.00 0.00 C ATOM 6 CG LYS A 98 78.968 -6.090 2.473 1.00 0.00 C ATOM 7 CD LYS A 98 80.112 -6.283 1.473 1.00 0.00 C ATOM 8 CE LYS A 98 81.452 -6.186 2.206 1.00 0.00 C ATOM 9 NZ LYS A 98 82.449 -5.881 1.141 1.00 0.00 N ATOM 0 HA LYS A 98 76.346 -5.081 3.282 1.00 0.00 H new ATOM 0 HB2 LYS A 98 77.566 -6.586 0.905 1.00 0.00 H new ATOM 0 HB3 LYS A 98 77.675 -4.870 1.243 1.00 0.00 H new ATOM 0 HG2 LYS A 98 79.178 -5.242 3.125 1.00 0.00 H new ATOM 0 HG3 LYS A 98 78.876 -6.968 3.112 1.00 0.00 H new ATOM 0 HD2 LYS A 98 80.022 -7.253 0.984 1.00 0.00 H new ATOM 0 HD3 LYS A 98 80.057 -5.526 0.691 1.00 0.00 H new ATOM 0 HE2 LYS A 98 81.432 -5.403 2.964 1.00 0.00 H new ATOM 0 HE3 LYS A 98 81.692 -7.119 2.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 83.395 -5.799 1.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 82.450 -6.646 0.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 82.198 -4.984 0.677 1.00 0.00 H new ATOM 23 N MET A 99 74.408 -5.088 1.744 1.00 0.00 N ATOM 24 CA MET A 99 73.144 -5.160 0.954 1.00 0.00 C ATOM 25 C MET A 99 73.051 -3.926 0.059 1.00 0.00 C ATOM 26 O MET A 99 73.776 -2.968 0.236 1.00 0.00 O ATOM 27 CB MET A 99 71.965 -5.187 1.951 1.00 0.00 C ATOM 28 CG MET A 99 72.395 -4.761 3.363 1.00 0.00 C ATOM 29 SD MET A 99 72.327 -2.960 3.485 1.00 0.00 S ATOM 30 CE MET A 99 70.533 -2.798 3.324 1.00 0.00 C ATOM 0 H MET A 99 74.601 -4.180 2.167 1.00 0.00 H new ATOM 0 HA MET A 99 73.120 -6.052 0.328 1.00 0.00 H new ATOM 0 HB2 MET A 99 71.176 -4.524 1.597 1.00 0.00 H new ATOM 0 HB3 MET A 99 71.544 -6.192 1.988 1.00 0.00 H new ATOM 0 HG2 MET A 99 71.740 -5.213 4.108 1.00 0.00 H new ATOM 0 HG3 MET A 99 73.405 -5.114 3.571 1.00 0.00 H new ATOM 0 HE1 MET A 99 70.233 -1.787 3.600 1.00 0.00 H new ATOM 0 HE2 MET A 99 70.241 -2.994 2.292 1.00 0.00 H new ATOM 0 HE3 MET A 99 70.042 -3.515 3.983 1.00 0.00 H new ATOM 40 N PHE A 100 72.175 -3.937 -0.904 1.00 0.00 N ATOM 41 CA PHE A 100 72.060 -2.758 -1.801 1.00 0.00 C ATOM 42 C PHE A 100 70.727 -2.040 -1.581 1.00 0.00 C ATOM 43 O PHE A 100 69.710 -2.651 -1.319 1.00 0.00 O ATOM 44 CB PHE A 100 72.150 -3.323 -3.218 1.00 0.00 C ATOM 45 CG PHE A 100 71.790 -2.243 -4.204 1.00 0.00 C ATOM 46 CD1 PHE A 100 72.437 -1.006 -4.138 1.00 0.00 C ATOM 47 CD2 PHE A 100 70.808 -2.469 -5.176 1.00 0.00 C ATOM 48 CE1 PHE A 100 72.106 0.005 -5.042 1.00 0.00 C ATOM 49 CE2 PHE A 100 70.480 -1.455 -6.085 1.00 0.00 C ATOM 50 CZ PHE A 100 71.132 -0.216 -6.016 1.00 0.00 C ATOM 0 H PHE A 100 71.537 -4.707 -1.108 1.00 0.00 H new ATOM 0 HA PHE A 100 72.840 -2.021 -1.610 1.00 0.00 H new ATOM 0 HB2 PHE A 100 73.158 -3.689 -3.413 1.00 0.00 H new ATOM 0 HB3 PHE A 100 71.475 -4.172 -3.328 1.00 0.00 H new ATOM 0 HD1 PHE A 100 73.194 -0.832 -3.387 1.00 0.00 H new ATOM 0 HD2 PHE A 100 70.304 -3.423 -5.225 1.00 0.00 H new ATOM 0 HE1 PHE A 100 72.605 0.961 -4.987 1.00 0.00 H new ATOM 0 HE2 PHE A 100 69.726 -1.628 -6.838 1.00 0.00 H new ATOM 0 HZ PHE A 100 70.881 0.567 -6.716 1.00 0.00 H new ATOM 60 N ILE A 101 70.735 -0.739 -1.683 1.00 0.00 N ATOM 61 CA ILE A 101 69.481 0.050 -1.481 1.00 0.00 C ATOM 62 C ILE A 101 69.135 0.786 -2.776 1.00 0.00 C ATOM 63 O ILE A 101 69.663 1.841 -3.061 1.00 0.00 O ATOM 64 CB ILE A 101 69.801 1.037 -0.351 1.00 0.00 C ATOM 65 CG1 ILE A 101 70.777 0.400 0.648 1.00 0.00 C ATOM 66 CG2 ILE A 101 68.509 1.390 0.381 1.00 0.00 C ATOM 67 CD1 ILE A 101 70.202 -0.931 1.141 1.00 0.00 C ATOM 0 H ILE A 101 71.562 -0.182 -1.899 1.00 0.00 H new ATOM 0 HA ILE A 101 68.624 -0.573 -1.225 1.00 0.00 H new ATOM 0 HB ILE A 101 70.255 1.932 -0.777 1.00 0.00 H new ATOM 0 HG12 ILE A 101 71.745 0.238 0.174 1.00 0.00 H new ATOM 0 HG13 ILE A 101 70.943 1.072 1.490 1.00 0.00 H new ATOM 0 HG21 ILE A 101 68.727 2.091 1.186 1.00 0.00 H new ATOM 0 HG22 ILE A 101 67.808 1.846 -0.318 1.00 0.00 H new ATOM 0 HG23 ILE A 101 68.068 0.485 0.798 1.00 0.00 H new ATOM 0 HD11 ILE A 101 70.893 -1.385 1.851 1.00 0.00 H new ATOM 0 HD12 ILE A 101 69.244 -0.755 1.630 1.00 0.00 H new ATOM 0 HD13 ILE A 101 70.059 -1.602 0.294 1.00 0.00 H new ATOM 79 N GLY A 102 68.267 0.224 -3.576 1.00 0.00 N ATOM 80 CA GLY A 102 67.909 0.885 -4.866 1.00 0.00 C ATOM 81 C GLY A 102 66.661 1.751 -4.699 1.00 0.00 C ATOM 82 O GLY A 102 65.602 1.269 -4.355 1.00 0.00 O ATOM 0 H GLY A 102 67.792 -0.660 -3.393 1.00 0.00 H new ATOM 0 HA2 GLY A 102 68.741 1.500 -5.209 1.00 0.00 H new ATOM 0 HA3 GLY A 102 67.734 0.129 -5.632 1.00 0.00 H new ATOM 86 N GLY A 103 66.779 3.027 -4.959 1.00 0.00 N ATOM 87 CA GLY A 103 65.599 3.931 -4.833 1.00 0.00 C ATOM 88 C GLY A 103 65.989 5.199 -4.071 1.00 0.00 C ATOM 89 O GLY A 103 65.205 5.749 -3.326 1.00 0.00 O ATOM 0 H GLY A 103 67.643 3.482 -5.254 1.00 0.00 H new ATOM 0 HA2 GLY A 103 65.224 4.193 -5.822 1.00 0.00 H new ATOM 0 HA3 GLY A 103 64.791 3.417 -4.311 1.00 0.00 H new ATOM 93 N LEU A 104 67.192 5.672 -4.253 1.00 0.00 N ATOM 94 CA LEU A 104 67.621 6.910 -3.538 1.00 0.00 C ATOM 95 C LEU A 104 67.297 8.146 -4.384 1.00 0.00 C ATOM 96 O LEU A 104 67.080 8.051 -5.576 1.00 0.00 O ATOM 97 CB LEU A 104 69.132 6.761 -3.356 1.00 0.00 C ATOM 98 CG LEU A 104 69.421 6.011 -2.057 1.00 0.00 C ATOM 99 CD1 LEU A 104 68.769 6.746 -0.884 1.00 0.00 C ATOM 100 CD2 LEU A 104 68.850 4.597 -2.154 1.00 0.00 C ATOM 0 H LEU A 104 67.895 5.257 -4.864 1.00 0.00 H new ATOM 0 HA LEU A 104 67.109 7.036 -2.584 1.00 0.00 H new ATOM 0 HB2 LEU A 104 69.559 6.222 -4.202 1.00 0.00 H new ATOM 0 HB3 LEU A 104 69.604 7.743 -3.333 1.00 0.00 H new ATOM 0 HG LEU A 104 70.498 5.961 -1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 104 68.976 6.210 0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 104 69.174 7.756 -0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 104 67.691 6.797 -1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 104 69.054 4.058 -1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 104 67.773 4.650 -2.313 1.00 0.00 H new ATOM 0 HD23 LEU A 104 69.315 4.073 -2.989 1.00 0.00 H new ATOM 112 N SER A 105 67.262 9.305 -3.779 1.00 0.00 N ATOM 113 CA SER A 105 66.955 10.546 -4.553 1.00 0.00 C ATOM 114 C SER A 105 68.248 11.178 -5.081 1.00 0.00 C ATOM 115 O SER A 105 69.327 10.913 -4.590 1.00 0.00 O ATOM 116 CB SER A 105 66.268 11.476 -3.554 1.00 0.00 C ATOM 117 OG SER A 105 65.006 11.875 -4.071 1.00 0.00 O ATOM 0 H SER A 105 67.432 9.446 -2.783 1.00 0.00 H new ATOM 0 HA SER A 105 66.326 10.346 -5.421 1.00 0.00 H new ATOM 0 HB2 SER A 105 66.138 10.968 -2.598 1.00 0.00 H new ATOM 0 HB3 SER A 105 66.890 12.351 -3.368 1.00 0.00 H new ATOM 0 HG SER A 105 65.083 12.035 -5.035 1.00 0.00 H new ATOM 123 N TRP A 106 68.149 12.016 -6.077 1.00 0.00 N ATOM 124 CA TRP A 106 69.373 12.667 -6.631 1.00 0.00 C ATOM 125 C TRP A 106 70.046 13.529 -5.558 1.00 0.00 C ATOM 126 O TRP A 106 71.151 14.002 -5.735 1.00 0.00 O ATOM 127 CB TRP A 106 68.875 13.556 -7.775 1.00 0.00 C ATOM 128 CG TRP A 106 67.910 12.799 -8.633 1.00 0.00 C ATOM 129 CD1 TRP A 106 68.253 11.994 -9.665 1.00 0.00 C ATOM 130 CD2 TRP A 106 66.454 12.771 -8.558 1.00 0.00 C ATOM 131 NE1 TRP A 106 67.100 11.474 -10.228 1.00 0.00 N ATOM 132 CE2 TRP A 106 65.967 11.921 -9.579 1.00 0.00 C ATOM 133 CE3 TRP A 106 65.518 13.392 -7.709 1.00 0.00 C ATOM 134 CZ2 TRP A 106 64.601 11.698 -9.755 1.00 0.00 C ATOM 135 CZ3 TRP A 106 64.142 13.167 -7.883 1.00 0.00 C ATOM 136 CH2 TRP A 106 63.686 12.322 -8.905 1.00 0.00 C ATOM 0 H TRP A 106 67.274 12.279 -6.532 1.00 0.00 H new ATOM 0 HA TRP A 106 70.105 11.933 -6.968 1.00 0.00 H new ATOM 0 HB2 TRP A 106 68.393 14.446 -7.371 1.00 0.00 H new ATOM 0 HB3 TRP A 106 69.719 13.895 -8.376 1.00 0.00 H new ATOM 0 HD1 TRP A 106 69.261 11.790 -9.995 1.00 0.00 H new ATOM 0 HE1 TRP A 106 67.089 10.838 -11.025 1.00 0.00 H new ATOM 0 HE3 TRP A 106 65.860 14.045 -6.920 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 64.254 11.047 -10.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 63.432 13.647 -7.226 1.00 0.00 H new ATOM 0 HH2 TRP A 106 62.627 12.154 -9.035 1.00 0.00 H new ATOM 147 N ASP A 107 69.385 13.751 -4.453 1.00 0.00 N ATOM 148 CA ASP A 107 69.991 14.601 -3.385 1.00 0.00 C ATOM 149 C ASP A 107 70.237 13.796 -2.105 1.00 0.00 C ATOM 150 O ASP A 107 70.509 14.354 -1.061 1.00 0.00 O ATOM 151 CB ASP A 107 68.962 15.701 -3.127 1.00 0.00 C ATOM 152 CG ASP A 107 69.167 16.840 -4.126 1.00 0.00 C ATOM 153 OD1 ASP A 107 70.234 17.430 -4.111 1.00 0.00 O ATOM 154 OD2 ASP A 107 68.252 17.105 -4.889 1.00 0.00 O ATOM 0 H ASP A 107 68.457 13.383 -4.244 1.00 0.00 H new ATOM 0 HA ASP A 107 70.960 14.996 -3.690 1.00 0.00 H new ATOM 0 HB2 ASP A 107 67.953 15.299 -3.221 1.00 0.00 H new ATOM 0 HB3 ASP A 107 69.062 16.075 -2.108 1.00 0.00 H new ATOM 159 N THR A 108 70.149 12.495 -2.165 1.00 0.00 N ATOM 160 CA THR A 108 70.387 11.689 -0.932 1.00 0.00 C ATOM 161 C THR A 108 71.889 11.603 -0.643 1.00 0.00 C ATOM 162 O THR A 108 72.711 11.987 -1.452 1.00 0.00 O ATOM 163 CB THR A 108 69.811 10.301 -1.230 1.00 0.00 C ATOM 164 OG1 THR A 108 68.953 10.379 -2.360 1.00 0.00 O ATOM 165 CG2 THR A 108 69.017 9.807 -0.021 1.00 0.00 C ATOM 0 H THR A 108 69.925 11.960 -3.004 1.00 0.00 H new ATOM 0 HA THR A 108 69.918 12.134 -0.055 1.00 0.00 H new ATOM 0 HB THR A 108 70.625 9.606 -1.437 1.00 0.00 H new ATOM 0 HG1 THR A 108 69.463 10.179 -3.172 1.00 0.00 H new ATOM 0 HG21 THR A 108 68.607 8.819 -0.234 1.00 0.00 H new ATOM 0 HG22 THR A 108 69.674 9.748 0.847 1.00 0.00 H new ATOM 0 HG23 THR A 108 68.202 10.501 0.187 1.00 0.00 H new ATOM 173 N THR A 109 72.254 11.107 0.505 1.00 0.00 N ATOM 174 CA THR A 109 73.701 10.999 0.846 1.00 0.00 C ATOM 175 C THR A 109 73.929 9.805 1.777 1.00 0.00 C ATOM 176 O THR A 109 73.038 9.381 2.485 1.00 0.00 O ATOM 177 CB THR A 109 74.039 12.306 1.567 1.00 0.00 C ATOM 178 OG1 THR A 109 73.388 12.330 2.830 1.00 0.00 O ATOM 179 CG2 THR A 109 73.570 13.494 0.726 1.00 0.00 C ATOM 0 H THR A 109 71.613 10.771 1.224 1.00 0.00 H new ATOM 0 HA THR A 109 74.324 10.847 -0.035 1.00 0.00 H new ATOM 0 HB THR A 109 75.117 12.372 1.712 1.00 0.00 H new ATOM 0 HG1 THR A 109 72.464 12.021 2.728 1.00 0.00 H new ATOM 0 HG21 THR A 109 73.812 14.423 1.242 1.00 0.00 H new ATOM 0 HG22 THR A 109 74.071 13.475 -0.242 1.00 0.00 H new ATOM 0 HG23 THR A 109 72.492 13.432 0.578 1.00 0.00 H new ATOM 187 N LYS A 110 75.116 9.264 1.789 1.00 0.00 N ATOM 188 CA LYS A 110 75.391 8.107 2.687 1.00 0.00 C ATOM 189 C LYS A 110 75.243 8.542 4.148 1.00 0.00 C ATOM 190 O LYS A 110 75.223 7.730 5.051 1.00 0.00 O ATOM 191 CB LYS A 110 76.833 7.694 2.379 1.00 0.00 C ATOM 192 CG LYS A 110 77.807 8.667 3.045 1.00 0.00 C ATOM 193 CD LYS A 110 78.912 9.044 2.056 1.00 0.00 C ATOM 194 CE LYS A 110 79.926 9.957 2.748 1.00 0.00 C ATOM 195 NZ LYS A 110 80.690 9.063 3.663 1.00 0.00 N ATOM 0 H LYS A 110 75.904 9.571 1.219 1.00 0.00 H new ATOM 0 HA LYS A 110 74.700 7.279 2.530 1.00 0.00 H new ATOM 0 HB2 LYS A 110 77.015 6.681 2.738 1.00 0.00 H new ATOM 0 HB3 LYS A 110 76.995 7.684 1.301 1.00 0.00 H new ATOM 0 HG2 LYS A 110 77.277 9.562 3.372 1.00 0.00 H new ATOM 0 HG3 LYS A 110 78.241 8.211 3.935 1.00 0.00 H new ATOM 0 HD2 LYS A 110 79.407 8.146 1.688 1.00 0.00 H new ATOM 0 HD3 LYS A 110 78.483 9.549 1.190 1.00 0.00 H new ATOM 0 HE2 LYS A 110 80.585 10.436 2.023 1.00 0.00 H new ATOM 0 HE3 LYS A 110 79.427 10.753 3.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 81.629 9.472 3.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 80.176 8.965 4.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 80.799 8.127 3.223 1.00 0.00 H new ATOM 209 N LYS A 111 75.138 9.823 4.385 1.00 0.00 N ATOM 210 CA LYS A 111 74.990 10.317 5.783 1.00 0.00 C ATOM 211 C LYS A 111 73.548 10.135 6.264 1.00 0.00 C ATOM 212 O LYS A 111 73.285 9.422 7.213 1.00 0.00 O ATOM 213 CB LYS A 111 75.346 11.802 5.715 1.00 0.00 C ATOM 214 CG LYS A 111 76.231 12.171 6.907 1.00 0.00 C ATOM 215 CD LYS A 111 76.464 13.682 6.922 1.00 0.00 C ATOM 216 CE LYS A 111 77.134 14.082 8.238 1.00 0.00 C ATOM 217 NZ LYS A 111 76.805 15.525 8.412 1.00 0.00 N ATOM 0 H LYS A 111 75.149 10.549 3.668 1.00 0.00 H new ATOM 0 HA LYS A 111 75.626 9.773 6.481 1.00 0.00 H new ATOM 0 HB2 LYS A 111 75.866 12.020 4.782 1.00 0.00 H new ATOM 0 HB3 LYS A 111 74.438 12.405 5.722 1.00 0.00 H new ATOM 0 HG2 LYS A 111 75.757 11.856 7.837 1.00 0.00 H new ATOM 0 HG3 LYS A 111 77.184 11.646 6.842 1.00 0.00 H new ATOM 0 HD2 LYS A 111 77.091 13.972 6.079 1.00 0.00 H new ATOM 0 HD3 LYS A 111 75.516 14.208 6.810 1.00 0.00 H new ATOM 0 HE2 LYS A 111 76.757 13.488 9.070 1.00 0.00 H new ATOM 0 HE3 LYS A 111 78.212 13.925 8.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 77.230 15.874 9.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 77.182 16.066 7.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 75.773 15.643 8.455 1.00 0.00 H new ATOM 231 N ASP A 112 72.609 10.775 5.621 1.00 0.00 N ATOM 232 CA ASP A 112 71.187 10.633 6.053 1.00 0.00 C ATOM 233 C ASP A 112 70.733 9.178 5.906 1.00 0.00 C ATOM 234 O ASP A 112 70.052 8.644 6.758 1.00 0.00 O ATOM 235 CB ASP A 112 70.391 11.560 5.126 1.00 0.00 C ATOM 236 CG ASP A 112 70.144 10.871 3.782 1.00 0.00 C ATOM 237 OD1 ASP A 112 69.405 9.901 3.764 1.00 0.00 O ATOM 238 OD2 ASP A 112 70.696 11.326 2.795 1.00 0.00 O ATOM 0 H ASP A 112 72.763 11.387 4.820 1.00 0.00 H new ATOM 0 HA ASP A 112 71.042 10.898 7.100 1.00 0.00 H new ATOM 0 HB2 ASP A 112 69.440 11.822 5.590 1.00 0.00 H new ATOM 0 HB3 ASP A 112 70.938 12.490 4.972 1.00 0.00 H new ATOM 243 N LEU A 113 71.107 8.530 4.835 1.00 0.00 N ATOM 244 CA LEU A 113 70.697 7.110 4.649 1.00 0.00 C ATOM 245 C LEU A 113 71.335 6.242 5.733 1.00 0.00 C ATOM 246 O LEU A 113 70.652 5.625 6.526 1.00 0.00 O ATOM 247 CB LEU A 113 71.218 6.716 3.267 1.00 0.00 C ATOM 248 CG LEU A 113 70.700 5.322 2.908 1.00 0.00 C ATOM 249 CD1 LEU A 113 70.315 5.286 1.429 1.00 0.00 C ATOM 250 CD2 LEU A 113 71.795 4.288 3.173 1.00 0.00 C ATOM 0 H LEU A 113 71.676 8.921 4.085 1.00 0.00 H new ATOM 0 HA LEU A 113 69.618 6.977 4.722 1.00 0.00 H new ATOM 0 HB2 LEU A 113 70.890 7.441 2.522 1.00 0.00 H new ATOM 0 HB3 LEU A 113 72.308 6.724 3.261 1.00 0.00 H new ATOM 0 HG LEU A 113 69.826 5.092 3.517 1.00 0.00 H new ATOM 0 HD11 LEU A 113 69.946 4.293 1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 113 69.535 6.023 1.238 1.00 0.00 H new ATOM 0 HD13 LEU A 113 71.189 5.516 0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 113 71.427 3.294 2.917 1.00 0.00 H new ATOM 0 HD22 LEU A 113 72.669 4.519 2.564 1.00 0.00 H new ATOM 0 HD23 LEU A 113 72.071 4.313 4.227 1.00 0.00 H new ATOM 262 N LYS A 114 72.639 6.195 5.783 1.00 0.00 N ATOM 263 CA LYS A 114 73.305 5.372 6.829 1.00 0.00 C ATOM 264 C LYS A 114 72.617 5.605 8.174 1.00 0.00 C ATOM 265 O LYS A 114 72.486 4.706 8.981 1.00 0.00 O ATOM 266 CB LYS A 114 74.753 5.859 6.867 1.00 0.00 C ATOM 267 CG LYS A 114 75.562 4.978 7.821 1.00 0.00 C ATOM 268 CD LYS A 114 77.047 5.068 7.466 1.00 0.00 C ATOM 269 CE LYS A 114 77.654 6.312 8.119 1.00 0.00 C ATOM 270 NZ LYS A 114 79.018 5.894 8.549 1.00 0.00 N ATOM 0 H LYS A 114 73.267 6.688 5.148 1.00 0.00 H new ATOM 0 HA LYS A 114 73.253 4.304 6.618 1.00 0.00 H new ATOM 0 HB2 LYS A 114 75.186 5.824 5.867 1.00 0.00 H new ATOM 0 HB3 LYS A 114 74.790 6.898 7.195 1.00 0.00 H new ATOM 0 HG2 LYS A 114 75.404 5.298 8.851 1.00 0.00 H new ATOM 0 HG3 LYS A 114 75.223 3.944 7.753 1.00 0.00 H new ATOM 0 HD2 LYS A 114 77.568 4.174 7.808 1.00 0.00 H new ATOM 0 HD3 LYS A 114 77.171 5.115 6.384 1.00 0.00 H new ATOM 0 HE2 LYS A 114 77.699 7.144 7.417 1.00 0.00 H new ATOM 0 HE3 LYS A 114 77.057 6.644 8.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 79.498 6.695 9.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 78.943 5.105 9.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 79.566 5.590 7.719 1.00 0.00 H new ATOM 284 N ASP A 115 72.161 6.805 8.419 1.00 0.00 N ATOM 285 CA ASP A 115 71.467 7.078 9.707 1.00 0.00 C ATOM 286 C ASP A 115 70.091 6.430 9.681 1.00 0.00 C ATOM 287 O ASP A 115 69.761 5.635 10.538 1.00 0.00 O ATOM 288 CB ASP A 115 71.360 8.599 9.805 1.00 0.00 C ATOM 289 CG ASP A 115 71.562 9.031 11.260 1.00 0.00 C ATOM 290 OD1 ASP A 115 72.684 8.954 11.730 1.00 0.00 O ATOM 291 OD2 ASP A 115 70.588 9.429 11.878 1.00 0.00 O ATOM 0 H ASP A 115 72.239 7.601 7.787 1.00 0.00 H new ATOM 0 HA ASP A 115 72.001 6.673 10.566 1.00 0.00 H new ATOM 0 HB2 ASP A 115 72.109 9.069 9.167 1.00 0.00 H new ATOM 0 HB3 ASP A 115 70.385 8.930 9.448 1.00 0.00 H new ATOM 296 N TYR A 116 69.292 6.721 8.692 1.00 0.00 N ATOM 297 CA TYR A 116 67.963 6.061 8.627 1.00 0.00 C ATOM 298 C TYR A 116 68.176 4.568 8.851 1.00 0.00 C ATOM 299 O TYR A 116 67.315 3.864 9.338 1.00 0.00 O ATOM 300 CB TYR A 116 67.453 6.305 7.211 1.00 0.00 C ATOM 301 CG TYR A 116 66.278 5.395 6.953 1.00 0.00 C ATOM 302 CD1 TYR A 116 65.008 5.764 7.403 1.00 0.00 C ATOM 303 CD2 TYR A 116 66.456 4.186 6.267 1.00 0.00 C ATOM 304 CE1 TYR A 116 63.910 4.926 7.169 1.00 0.00 C ATOM 305 CE2 TYR A 116 65.360 3.350 6.032 1.00 0.00 C ATOM 306 CZ TYR A 116 64.086 3.718 6.481 1.00 0.00 C ATOM 307 OH TYR A 116 63.007 2.893 6.249 1.00 0.00 O ATOM 0 H TYR A 116 69.499 7.377 7.938 1.00 0.00 H new ATOM 0 HA TYR A 116 67.259 6.438 9.369 1.00 0.00 H new ATOM 0 HB2 TYR A 116 67.157 7.347 7.091 1.00 0.00 H new ATOM 0 HB3 TYR A 116 68.245 6.113 6.487 1.00 0.00 H new ATOM 0 HD1 TYR A 116 64.873 6.696 7.932 1.00 0.00 H new ATOM 0 HD2 TYR A 116 67.438 3.900 5.920 1.00 0.00 H new ATOM 0 HE1 TYR A 116 62.929 5.211 7.519 1.00 0.00 H new ATOM 0 HE2 TYR A 116 65.497 2.418 5.503 1.00 0.00 H new ATOM 0 HH TYR A 116 63.325 2.005 5.983 1.00 0.00 H new ATOM 317 N PHE A 117 69.336 4.088 8.482 1.00 0.00 N ATOM 318 CA PHE A 117 69.633 2.644 8.656 1.00 0.00 C ATOM 319 C PHE A 117 70.295 2.373 10.011 1.00 0.00 C ATOM 320 O PHE A 117 70.399 1.243 10.445 1.00 0.00 O ATOM 321 CB PHE A 117 70.552 2.284 7.491 1.00 0.00 C ATOM 322 CG PHE A 117 69.692 2.018 6.281 1.00 0.00 C ATOM 323 CD1 PHE A 117 68.734 1.001 6.325 1.00 0.00 C ATOM 324 CD2 PHE A 117 69.828 2.801 5.127 1.00 0.00 C ATOM 325 CE1 PHE A 117 67.912 0.760 5.222 1.00 0.00 C ATOM 326 CE2 PHE A 117 69.009 2.557 4.018 1.00 0.00 C ATOM 327 CZ PHE A 117 68.050 1.537 4.066 1.00 0.00 C ATOM 0 H PHE A 117 70.088 4.639 8.068 1.00 0.00 H new ATOM 0 HA PHE A 117 68.728 2.036 8.652 1.00 0.00 H new ATOM 0 HB2 PHE A 117 71.249 3.097 7.291 1.00 0.00 H new ATOM 0 HB3 PHE A 117 71.149 1.405 7.734 1.00 0.00 H new ATOM 0 HD1 PHE A 117 68.629 0.399 7.216 1.00 0.00 H new ATOM 0 HD2 PHE A 117 70.563 3.591 5.093 1.00 0.00 H new ATOM 0 HE1 PHE A 117 67.171 -0.025 5.261 1.00 0.00 H new ATOM 0 HE2 PHE A 117 69.117 3.155 3.125 1.00 0.00 H new ATOM 0 HZ PHE A 117 67.417 1.350 3.211 1.00 0.00 H new ATOM 337 N SER A 118 70.728 3.393 10.692 1.00 0.00 N ATOM 338 CA SER A 118 71.358 3.178 12.024 1.00 0.00 C ATOM 339 C SER A 118 70.312 2.627 12.999 1.00 0.00 C ATOM 340 O SER A 118 70.627 2.203 14.093 1.00 0.00 O ATOM 341 CB SER A 118 71.833 4.559 12.472 1.00 0.00 C ATOM 342 OG SER A 118 70.702 5.389 12.707 1.00 0.00 O ATOM 0 H SER A 118 70.674 4.365 10.387 1.00 0.00 H new ATOM 0 HA SER A 118 72.181 2.464 11.988 1.00 0.00 H new ATOM 0 HB2 SER A 118 72.432 4.474 13.379 1.00 0.00 H new ATOM 0 HB3 SER A 118 72.472 5.002 11.708 1.00 0.00 H new ATOM 0 HG SER A 118 70.378 5.750 11.855 1.00 0.00 H new ATOM 348 N LYS A 119 69.066 2.635 12.603 1.00 0.00 N ATOM 349 CA LYS A 119 67.989 2.118 13.494 1.00 0.00 C ATOM 350 C LYS A 119 67.908 0.591 13.409 1.00 0.00 C ATOM 351 O LYS A 119 67.302 -0.052 14.243 1.00 0.00 O ATOM 352 CB LYS A 119 66.703 2.754 12.966 1.00 0.00 C ATOM 353 CG LYS A 119 65.544 2.414 13.902 1.00 0.00 C ATOM 354 CD LYS A 119 65.349 3.552 14.906 1.00 0.00 C ATOM 355 CE LYS A 119 63.853 3.777 15.138 1.00 0.00 C ATOM 356 NZ LYS A 119 63.774 4.554 16.407 1.00 0.00 N ATOM 0 H LYS A 119 68.748 2.979 11.697 1.00 0.00 H new ATOM 0 HA LYS A 119 68.169 2.363 14.541 1.00 0.00 H new ATOM 0 HB2 LYS A 119 66.822 3.835 12.895 1.00 0.00 H new ATOM 0 HB3 LYS A 119 66.491 2.390 11.961 1.00 0.00 H new ATOM 0 HG2 LYS A 119 64.631 2.262 13.327 1.00 0.00 H new ATOM 0 HG3 LYS A 119 65.749 1.482 14.428 1.00 0.00 H new ATOM 0 HD2 LYS A 119 65.841 3.309 15.848 1.00 0.00 H new ATOM 0 HD3 LYS A 119 65.811 4.465 14.531 1.00 0.00 H new ATOM 0 HE2 LYS A 119 63.403 4.325 14.310 1.00 0.00 H new ATOM 0 HE3 LYS A 119 63.319 2.830 15.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 62.778 4.748 16.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 64.204 4.004 17.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 64.285 5.453 16.296 1.00 0.00 H new ATOM 370 N PHE A 120 68.522 0.003 12.418 1.00 0.00 N ATOM 371 CA PHE A 120 68.480 -1.485 12.302 1.00 0.00 C ATOM 372 C PHE A 120 69.649 -2.090 13.077 1.00 0.00 C ATOM 373 O PHE A 120 69.470 -2.830 14.024 1.00 0.00 O ATOM 374 CB PHE A 120 68.637 -1.794 10.811 1.00 0.00 C ATOM 375 CG PHE A 120 67.538 -1.140 10.007 1.00 0.00 C ATOM 376 CD1 PHE A 120 66.280 -1.744 9.908 1.00 0.00 C ATOM 377 CD2 PHE A 120 67.790 0.060 9.339 1.00 0.00 C ATOM 378 CE1 PHE A 120 65.276 -1.144 9.136 1.00 0.00 C ATOM 379 CE2 PHE A 120 66.787 0.662 8.573 1.00 0.00 C ATOM 380 CZ PHE A 120 65.532 0.061 8.470 1.00 0.00 C ATOM 0 H PHE A 120 69.048 0.484 11.688 1.00 0.00 H new ATOM 0 HA PHE A 120 67.554 -1.897 12.704 1.00 0.00 H new ATOM 0 HB2 PHE A 120 69.608 -1.441 10.462 1.00 0.00 H new ATOM 0 HB3 PHE A 120 68.615 -2.873 10.655 1.00 0.00 H new ATOM 0 HD1 PHE A 120 66.083 -2.671 10.426 1.00 0.00 H new ATOM 0 HD2 PHE A 120 68.762 0.524 9.414 1.00 0.00 H new ATOM 0 HE1 PHE A 120 64.305 -1.611 9.055 1.00 0.00 H new ATOM 0 HE2 PHE A 120 66.984 1.592 8.061 1.00 0.00 H new ATOM 0 HZ PHE A 120 64.758 0.525 7.877 1.00 0.00 H new ATOM 390 N GLY A 121 70.847 -1.771 12.676 1.00 0.00 N ATOM 391 CA GLY A 121 72.045 -2.314 13.375 1.00 0.00 C ATOM 392 C GLY A 121 73.232 -1.378 13.141 1.00 0.00 C ATOM 393 O GLY A 121 73.070 -0.243 12.740 1.00 0.00 O ATOM 0 H GLY A 121 71.049 -1.154 11.890 1.00 0.00 H new ATOM 0 HA2 GLY A 121 71.846 -2.408 14.443 1.00 0.00 H new ATOM 0 HA3 GLY A 121 72.276 -3.313 13.004 1.00 0.00 H new ATOM 397 N GLU A 122 74.426 -1.842 13.389 1.00 0.00 N ATOM 398 CA GLU A 122 75.620 -0.973 13.180 1.00 0.00 C ATOM 399 C GLU A 122 76.129 -1.104 11.741 1.00 0.00 C ATOM 400 O GLU A 122 76.390 -2.188 11.262 1.00 0.00 O ATOM 401 CB GLU A 122 76.665 -1.498 14.166 1.00 0.00 C ATOM 402 CG GLU A 122 76.585 -0.699 15.468 1.00 0.00 C ATOM 403 CD GLU A 122 77.978 -0.190 15.842 1.00 0.00 C ATOM 404 OE1 GLU A 122 78.564 0.516 15.037 1.00 0.00 O ATOM 405 OE2 GLU A 122 78.436 -0.516 16.924 1.00 0.00 O ATOM 0 H GLU A 122 74.627 -2.783 13.727 1.00 0.00 H new ATOM 0 HA GLU A 122 75.396 0.081 13.341 1.00 0.00 H new ATOM 0 HB2 GLU A 122 76.494 -2.556 14.365 1.00 0.00 H new ATOM 0 HB3 GLU A 122 77.663 -1.412 13.735 1.00 0.00 H new ATOM 0 HG2 GLU A 122 75.899 0.140 15.350 1.00 0.00 H new ATOM 0 HG3 GLU A 122 76.188 -1.325 16.267 1.00 0.00 H new ATOM 412 N VAL A 123 76.276 -0.006 11.050 1.00 0.00 N ATOM 413 CA VAL A 123 76.775 -0.068 9.644 1.00 0.00 C ATOM 414 C VAL A 123 78.253 0.295 9.571 1.00 0.00 C ATOM 415 O VAL A 123 78.684 1.319 10.061 1.00 0.00 O ATOM 416 CB VAL A 123 75.918 0.939 8.860 1.00 0.00 C ATOM 417 CG1 VAL A 123 76.741 1.611 7.753 1.00 0.00 C ATOM 418 CG2 VAL A 123 74.777 0.185 8.190 1.00 0.00 C ATOM 0 H VAL A 123 76.073 0.931 11.397 1.00 0.00 H new ATOM 0 HA VAL A 123 76.691 -1.073 9.231 1.00 0.00 H new ATOM 0 HB VAL A 123 75.551 1.696 9.553 1.00 0.00 H new ATOM 0 HG11 VAL A 123 76.113 2.319 7.212 1.00 0.00 H new ATOM 0 HG12 VAL A 123 77.585 2.139 8.197 1.00 0.00 H new ATOM 0 HG13 VAL A 123 77.110 0.853 7.063 1.00 0.00 H new ATOM 0 HG21 VAL A 123 74.158 0.885 7.629 1.00 0.00 H new ATOM 0 HG22 VAL A 123 75.185 -0.564 7.511 1.00 0.00 H new ATOM 0 HG23 VAL A 123 74.170 -0.307 8.950 1.00 0.00 H new ATOM 428 N VAL A 124 79.023 -0.528 8.924 1.00 0.00 N ATOM 429 CA VAL A 124 80.463 -0.223 8.773 1.00 0.00 C ATOM 430 C VAL A 124 80.647 0.580 7.493 1.00 0.00 C ATOM 431 O VAL A 124 81.621 1.286 7.324 1.00 0.00 O ATOM 432 CB VAL A 124 81.160 -1.588 8.666 1.00 0.00 C ATOM 433 CG1 VAL A 124 82.430 -1.470 7.809 1.00 0.00 C ATOM 434 CG2 VAL A 124 81.538 -2.069 10.069 1.00 0.00 C ATOM 0 H VAL A 124 78.715 -1.400 8.493 1.00 0.00 H new ATOM 0 HA VAL A 124 80.871 0.357 9.601 1.00 0.00 H new ATOM 0 HB VAL A 124 80.482 -2.301 8.197 1.00 0.00 H new ATOM 0 HG11 VAL A 124 82.915 -2.444 7.741 1.00 0.00 H new ATOM 0 HG12 VAL A 124 82.164 -1.126 6.809 1.00 0.00 H new ATOM 0 HG13 VAL A 124 83.114 -0.756 8.268 1.00 0.00 H new ATOM 0 HG21 VAL A 124 82.033 -3.038 10.000 1.00 0.00 H new ATOM 0 HG22 VAL A 124 82.213 -1.348 10.531 1.00 0.00 H new ATOM 0 HG23 VAL A 124 80.638 -2.164 10.676 1.00 0.00 H new ATOM 444 N ASP A 125 79.724 0.464 6.576 1.00 0.00 N ATOM 445 CA ASP A 125 79.884 1.214 5.307 1.00 0.00 C ATOM 446 C ASP A 125 78.543 1.689 4.740 1.00 0.00 C ATOM 447 O ASP A 125 77.486 1.202 5.092 1.00 0.00 O ATOM 448 CB ASP A 125 80.553 0.229 4.349 1.00 0.00 C ATOM 449 CG ASP A 125 82.053 0.515 4.286 1.00 0.00 C ATOM 450 OD1 ASP A 125 82.424 1.667 4.438 1.00 0.00 O ATOM 451 OD2 ASP A 125 82.808 -0.424 4.089 1.00 0.00 O ATOM 0 H ASP A 125 78.883 -0.108 6.652 1.00 0.00 H new ATOM 0 HA ASP A 125 80.472 2.119 5.459 1.00 0.00 H new ATOM 0 HB2 ASP A 125 80.381 -0.794 4.684 1.00 0.00 H new ATOM 0 HB3 ASP A 125 80.114 0.317 3.355 1.00 0.00 H new ATOM 456 N CYS A 126 78.599 2.644 3.847 1.00 0.00 N ATOM 457 CA CYS A 126 77.362 3.185 3.215 1.00 0.00 C ATOM 458 C CYS A 126 77.746 4.094 2.052 1.00 0.00 C ATOM 459 O CYS A 126 78.746 4.784 2.093 1.00 0.00 O ATOM 460 CB CYS A 126 76.653 3.975 4.314 1.00 0.00 C ATOM 461 SG CYS A 126 74.933 4.267 3.830 1.00 0.00 S ATOM 0 H CYS A 126 79.465 3.077 3.525 1.00 0.00 H new ATOM 0 HA CYS A 126 76.717 2.401 2.817 1.00 0.00 H new ATOM 0 HB2 CYS A 126 76.689 3.425 5.254 1.00 0.00 H new ATOM 0 HB3 CYS A 126 77.162 4.924 4.481 1.00 0.00 H new ATOM 0 HG CYS A 126 74.674 3.615 2.736 1.00 0.00 H new ATOM 467 N THR A 127 76.976 4.083 1.004 1.00 0.00 N ATOM 468 CA THR A 127 77.317 4.927 -0.171 1.00 0.00 C ATOM 469 C THR A 127 76.042 5.343 -0.919 1.00 0.00 C ATOM 470 O THR A 127 74.956 4.894 -0.613 1.00 0.00 O ATOM 471 CB THR A 127 78.206 4.007 -1.021 1.00 0.00 C ATOM 472 OG1 THR A 127 79.571 4.303 -0.762 1.00 0.00 O ATOM 473 CG2 THR A 127 77.921 4.198 -2.508 1.00 0.00 C ATOM 0 H THR A 127 76.126 3.527 0.910 1.00 0.00 H new ATOM 0 HA THR A 127 77.818 5.860 0.089 1.00 0.00 H new ATOM 0 HB THR A 127 77.989 2.972 -0.756 1.00 0.00 H new ATOM 0 HG1 THR A 127 79.682 4.532 0.184 1.00 0.00 H new ATOM 0 HG21 THR A 127 78.563 3.536 -3.089 1.00 0.00 H new ATOM 0 HG22 THR A 127 76.877 3.962 -2.712 1.00 0.00 H new ATOM 0 HG23 THR A 127 78.120 5.233 -2.787 1.00 0.00 H new ATOM 481 N LEU A 128 76.175 6.189 -1.903 1.00 0.00 N ATOM 482 CA LEU A 128 74.985 6.625 -2.684 1.00 0.00 C ATOM 483 C LEU A 128 75.363 6.807 -4.157 1.00 0.00 C ATOM 484 O LEU A 128 76.256 7.559 -4.492 1.00 0.00 O ATOM 485 CB LEU A 128 74.551 7.970 -2.073 1.00 0.00 C ATOM 486 CG LEU A 128 73.854 8.832 -3.137 1.00 0.00 C ATOM 487 CD1 LEU A 128 72.653 9.540 -2.520 1.00 0.00 C ATOM 488 CD2 LEU A 128 74.835 9.876 -3.680 1.00 0.00 C ATOM 0 H LEU A 128 77.061 6.598 -2.200 1.00 0.00 H new ATOM 0 HA LEU A 128 74.182 5.890 -2.642 1.00 0.00 H new ATOM 0 HB2 LEU A 128 73.876 7.797 -1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 128 75.420 8.497 -1.679 1.00 0.00 H new ATOM 0 HG LEU A 128 73.518 8.190 -3.952 1.00 0.00 H new ATOM 0 HD11 LEU A 128 72.162 10.150 -3.278 1.00 0.00 H new ATOM 0 HD12 LEU A 128 71.950 8.799 -2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 128 72.987 10.178 -1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 128 74.337 10.485 -4.434 1.00 0.00 H new ATOM 0 HD22 LEU A 128 75.175 10.514 -2.865 1.00 0.00 H new ATOM 0 HD23 LEU A 128 75.691 9.372 -4.128 1.00 0.00 H new ATOM 673 N PHE A 140 70.396 5.279 -6.992 1.00 0.00 N ATOM 674 CA PHE A 140 70.371 4.254 -5.898 1.00 0.00 C ATOM 675 C PHE A 140 71.657 4.285 -5.071 1.00 0.00 C ATOM 676 O PHE A 140 72.724 4.566 -5.573 1.00 0.00 O ATOM 677 CB PHE A 140 70.206 2.900 -6.589 1.00 0.00 C ATOM 678 CG PHE A 140 71.276 2.692 -7.629 1.00 0.00 C ATOM 679 CD1 PHE A 140 72.585 2.385 -7.235 1.00 0.00 C ATOM 680 CD2 PHE A 140 70.956 2.777 -8.987 1.00 0.00 C ATOM 681 CE1 PHE A 140 73.573 2.169 -8.202 1.00 0.00 C ATOM 682 CE2 PHE A 140 71.941 2.558 -9.953 1.00 0.00 C ATOM 683 CZ PHE A 140 73.252 2.253 -9.561 1.00 0.00 C ATOM 0 HA PHE A 140 69.556 4.451 -5.202 1.00 0.00 H new ATOM 0 HB2 PHE A 140 70.253 2.101 -5.849 1.00 0.00 H new ATOM 0 HB3 PHE A 140 69.223 2.843 -7.057 1.00 0.00 H new ATOM 0 HD1 PHE A 140 72.831 2.315 -6.186 1.00 0.00 H new ATOM 0 HD2 PHE A 140 69.946 3.012 -9.290 1.00 0.00 H new ATOM 0 HE1 PHE A 140 74.583 1.937 -7.899 1.00 0.00 H new ATOM 0 HE2 PHE A 140 71.693 2.624 -11.002 1.00 0.00 H new ATOM 0 HZ PHE A 140 74.014 2.083 -10.308 1.00 0.00 H new ATOM 693 N GLY A 141 71.554 3.997 -3.796 1.00 0.00 N ATOM 694 CA GLY A 141 72.761 4.011 -2.920 1.00 0.00 C ATOM 695 C GLY A 141 73.046 2.606 -2.387 1.00 0.00 C ATOM 696 O GLY A 141 72.329 1.663 -2.663 1.00 0.00 O ATOM 0 H GLY A 141 70.682 3.753 -3.326 1.00 0.00 H new ATOM 0 HA2 GLY A 141 73.621 4.376 -3.481 1.00 0.00 H new ATOM 0 HA3 GLY A 141 72.607 4.699 -2.088 1.00 0.00 H new ATOM 700 N PHE A 142 74.098 2.464 -1.627 1.00 0.00 N ATOM 701 CA PHE A 142 74.450 1.127 -1.076 1.00 0.00 C ATOM 702 C PHE A 142 74.602 1.189 0.445 1.00 0.00 C ATOM 703 O PHE A 142 74.806 2.240 1.019 1.00 0.00 O ATOM 704 CB PHE A 142 75.795 0.784 -1.715 1.00 0.00 C ATOM 705 CG PHE A 142 75.572 0.190 -3.083 1.00 0.00 C ATOM 706 CD1 PHE A 142 75.027 0.974 -4.107 1.00 0.00 C ATOM 707 CD2 PHE A 142 75.921 -1.143 -3.328 1.00 0.00 C ATOM 708 CE1 PHE A 142 74.828 0.424 -5.379 1.00 0.00 C ATOM 709 CE2 PHE A 142 75.723 -1.693 -4.602 1.00 0.00 C ATOM 710 CZ PHE A 142 75.175 -0.908 -5.626 1.00 0.00 C ATOM 0 H PHE A 142 74.730 3.220 -1.364 1.00 0.00 H new ATOM 0 HA PHE A 142 73.679 0.386 -1.289 1.00 0.00 H new ATOM 0 HB2 PHE A 142 76.410 1.680 -1.793 1.00 0.00 H new ATOM 0 HB3 PHE A 142 76.338 0.079 -1.086 1.00 0.00 H new ATOM 0 HD1 PHE A 142 74.760 2.003 -3.916 1.00 0.00 H new ATOM 0 HD2 PHE A 142 76.342 -1.746 -2.537 1.00 0.00 H new ATOM 0 HE1 PHE A 142 74.407 1.028 -6.169 1.00 0.00 H new ATOM 0 HE2 PHE A 142 75.992 -2.721 -4.795 1.00 0.00 H new ATOM 0 HZ PHE A 142 75.021 -1.332 -6.607 1.00 0.00 H new ATOM 720 N VAL A 143 74.523 0.062 1.093 1.00 0.00 N ATOM 721 CA VAL A 143 74.682 0.032 2.573 1.00 0.00 C ATOM 722 C VAL A 143 75.391 -1.256 2.976 1.00 0.00 C ATOM 723 O VAL A 143 75.165 -2.309 2.413 1.00 0.00 O ATOM 724 CB VAL A 143 73.262 0.076 3.143 1.00 0.00 C ATOM 725 CG1 VAL A 143 73.272 -0.379 4.607 1.00 0.00 C ATOM 726 CG2 VAL A 143 72.733 1.509 3.065 1.00 0.00 C ATOM 0 H VAL A 143 74.354 -0.845 0.659 1.00 0.00 H new ATOM 0 HA VAL A 143 75.278 0.865 2.947 1.00 0.00 H new ATOM 0 HB VAL A 143 72.622 -0.590 2.564 1.00 0.00 H new ATOM 0 HG11 VAL A 143 72.258 -0.345 5.006 1.00 0.00 H new ATOM 0 HG12 VAL A 143 73.652 -1.399 4.668 1.00 0.00 H new ATOM 0 HG13 VAL A 143 73.913 0.283 5.189 1.00 0.00 H new ATOM 0 HG21 VAL A 143 71.722 1.546 3.470 1.00 0.00 H new ATOM 0 HG22 VAL A 143 73.380 2.168 3.644 1.00 0.00 H new ATOM 0 HG23 VAL A 143 72.720 1.836 2.025 1.00 0.00 H new ATOM 736 N LEU A 144 76.253 -1.175 3.943 1.00 0.00 N ATOM 737 CA LEU A 144 76.991 -2.384 4.386 1.00 0.00 C ATOM 738 C LEU A 144 76.835 -2.553 5.898 1.00 0.00 C ATOM 739 O LEU A 144 77.460 -1.863 6.681 1.00 0.00 O ATOM 740 CB LEU A 144 78.438 -2.093 4.001 1.00 0.00 C ATOM 741 CG LEU A 144 78.722 -2.673 2.612 1.00 0.00 C ATOM 742 CD1 LEU A 144 78.058 -1.796 1.543 1.00 0.00 C ATOM 743 CD2 LEU A 144 80.234 -2.705 2.376 1.00 0.00 C ATOM 0 H LEU A 144 76.480 -0.319 4.449 1.00 0.00 H new ATOM 0 HA LEU A 144 76.630 -3.308 3.934 1.00 0.00 H new ATOM 0 HB2 LEU A 144 78.617 -1.018 4.002 1.00 0.00 H new ATOM 0 HB3 LEU A 144 79.116 -2.529 4.735 1.00 0.00 H new ATOM 0 HG LEU A 144 78.320 -3.684 2.551 1.00 0.00 H new ATOM 0 HD11 LEU A 144 78.261 -2.210 0.555 1.00 0.00 H new ATOM 0 HD12 LEU A 144 76.981 -1.770 1.711 1.00 0.00 H new ATOM 0 HD13 LEU A 144 78.459 -0.784 1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 144 80.439 -3.117 1.388 1.00 0.00 H new ATOM 0 HD22 LEU A 144 80.633 -1.693 2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 144 80.708 -3.328 3.135 1.00 0.00 H new ATOM 755 N PHE A 145 75.990 -3.457 6.311 1.00 0.00 N ATOM 756 CA PHE A 145 75.772 -3.662 7.771 1.00 0.00 C ATOM 757 C PHE A 145 76.958 -4.395 8.394 1.00 0.00 C ATOM 758 O PHE A 145 77.662 -5.137 7.739 1.00 0.00 O ATOM 759 CB PHE A 145 74.506 -4.510 7.867 1.00 0.00 C ATOM 760 CG PHE A 145 73.298 -3.614 7.755 1.00 0.00 C ATOM 761 CD1 PHE A 145 72.992 -2.719 8.789 1.00 0.00 C ATOM 762 CD2 PHE A 145 72.485 -3.672 6.618 1.00 0.00 C ATOM 763 CE1 PHE A 145 71.873 -1.885 8.685 1.00 0.00 C ATOM 764 CE2 PHE A 145 71.367 -2.838 6.515 1.00 0.00 C ATOM 765 CZ PHE A 145 71.061 -1.944 7.547 1.00 0.00 C ATOM 0 H PHE A 145 75.441 -4.063 5.701 1.00 0.00 H new ATOM 0 HA PHE A 145 75.673 -2.718 8.306 1.00 0.00 H new ATOM 0 HB2 PHE A 145 74.494 -5.257 7.074 1.00 0.00 H new ATOM 0 HB3 PHE A 145 74.487 -5.050 8.814 1.00 0.00 H new ATOM 0 HD1 PHE A 145 73.620 -2.673 9.666 1.00 0.00 H new ATOM 0 HD2 PHE A 145 72.721 -4.361 5.820 1.00 0.00 H new ATOM 0 HE1 PHE A 145 71.636 -1.196 9.483 1.00 0.00 H new ATOM 0 HE2 PHE A 145 70.739 -2.884 5.638 1.00 0.00 H new ATOM 0 HZ PHE A 145 70.198 -1.300 7.465 1.00 0.00 H new ATOM 775 N LYS A 146 77.185 -4.183 9.659 1.00 0.00 N ATOM 776 CA LYS A 146 78.328 -4.855 10.337 1.00 0.00 C ATOM 777 C LYS A 146 77.944 -6.271 10.781 1.00 0.00 C ATOM 778 O LYS A 146 78.797 -7.096 11.041 1.00 0.00 O ATOM 779 CB LYS A 146 78.638 -3.981 11.552 1.00 0.00 C ATOM 780 CG LYS A 146 79.545 -4.748 12.518 1.00 0.00 C ATOM 781 CD LYS A 146 79.977 -3.825 13.660 1.00 0.00 C ATOM 782 CE LYS A 146 81.343 -4.270 14.185 1.00 0.00 C ATOM 783 NZ LYS A 146 81.117 -4.600 15.621 1.00 0.00 N ATOM 0 H LYS A 146 76.627 -3.572 10.255 1.00 0.00 H new ATOM 0 HA LYS A 146 79.187 -4.960 9.674 1.00 0.00 H new ATOM 0 HB2 LYS A 146 79.125 -3.059 11.235 1.00 0.00 H new ATOM 0 HB3 LYS A 146 77.713 -3.697 12.054 1.00 0.00 H new ATOM 0 HG2 LYS A 146 79.018 -5.615 12.917 1.00 0.00 H new ATOM 0 HG3 LYS A 146 80.421 -5.124 11.989 1.00 0.00 H new ATOM 0 HD2 LYS A 146 80.028 -2.794 13.309 1.00 0.00 H new ATOM 0 HD3 LYS A 146 79.240 -3.852 14.463 1.00 0.00 H new ATOM 0 HE2 LYS A 146 81.714 -5.135 13.635 1.00 0.00 H new ATOM 0 HE3 LYS A 146 82.085 -3.479 14.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 82.011 -4.914 16.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 80.771 -3.756 16.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 80.412 -5.360 15.696 1.00 0.00 H new ATOM 797 N GLU A 147 76.674 -6.567 10.880 1.00 0.00 N ATOM 798 CA GLU A 147 76.276 -7.934 11.320 1.00 0.00 C ATOM 799 C GLU A 147 75.164 -8.492 10.429 1.00 0.00 C ATOM 800 O GLU A 147 74.399 -7.760 9.834 1.00 0.00 O ATOM 801 CB GLU A 147 75.773 -7.751 12.751 1.00 0.00 C ATOM 802 CG GLU A 147 75.679 -9.114 13.439 1.00 0.00 C ATOM 803 CD GLU A 147 74.519 -9.104 14.437 1.00 0.00 C ATOM 804 OE1 GLU A 147 73.551 -8.407 14.183 1.00 0.00 O ATOM 805 OE2 GLU A 147 74.620 -9.792 15.439 1.00 0.00 O ATOM 0 H GLU A 147 75.905 -5.929 10.678 1.00 0.00 H new ATOM 0 HA GLU A 147 77.104 -8.640 11.258 1.00 0.00 H new ATOM 0 HB2 GLU A 147 76.449 -7.099 13.304 1.00 0.00 H new ATOM 0 HB3 GLU A 147 74.796 -7.267 12.745 1.00 0.00 H new ATOM 0 HG2 GLU A 147 75.527 -9.898 12.697 1.00 0.00 H new ATOM 0 HG3 GLU A 147 76.613 -9.339 13.954 1.00 0.00 H new ATOM 812 N SER A 148 75.063 -9.789 10.343 1.00 0.00 N ATOM 813 CA SER A 148 73.994 -10.392 9.504 1.00 0.00 C ATOM 814 C SER A 148 72.634 -10.095 10.132 1.00 0.00 C ATOM 815 O SER A 148 71.670 -9.812 9.449 1.00 0.00 O ATOM 816 CB SER A 148 74.276 -11.894 9.517 1.00 0.00 C ATOM 817 OG SER A 148 73.542 -12.519 8.471 1.00 0.00 O ATOM 0 H SER A 148 75.673 -10.455 10.817 1.00 0.00 H new ATOM 0 HA SER A 148 73.981 -9.997 8.488 1.00 0.00 H new ATOM 0 HB2 SER A 148 75.343 -12.077 9.388 1.00 0.00 H new ATOM 0 HB3 SER A 148 73.994 -12.320 10.480 1.00 0.00 H new ATOM 0 HG SER A 148 73.722 -13.482 8.475 1.00 0.00 H new ATOM 823 N GLU A 149 72.555 -10.150 11.433 1.00 0.00 N ATOM 824 CA GLU A 149 71.262 -9.863 12.111 1.00 0.00 C ATOM 825 C GLU A 149 70.804 -8.444 11.768 1.00 0.00 C ATOM 826 O GLU A 149 69.679 -8.225 11.367 1.00 0.00 O ATOM 827 CB GLU A 149 71.557 -9.989 13.605 1.00 0.00 C ATOM 828 CG GLU A 149 70.662 -11.073 14.212 1.00 0.00 C ATOM 829 CD GLU A 149 71.153 -11.408 15.621 1.00 0.00 C ATOM 830 OE1 GLU A 149 72.273 -11.880 15.740 1.00 0.00 O ATOM 831 OE2 GLU A 149 70.404 -11.187 16.558 1.00 0.00 O ATOM 0 H GLU A 149 73.330 -10.381 12.055 1.00 0.00 H new ATOM 0 HA GLU A 149 70.468 -10.542 11.801 1.00 0.00 H new ATOM 0 HB2 GLU A 149 72.606 -10.240 13.760 1.00 0.00 H new ATOM 0 HB3 GLU A 149 71.381 -9.036 14.103 1.00 0.00 H new ATOM 0 HG2 GLU A 149 69.628 -10.729 14.248 1.00 0.00 H new ATOM 0 HG3 GLU A 149 70.679 -11.966 13.587 1.00 0.00 H new ATOM 838 N SER A 150 71.670 -7.477 11.913 1.00 0.00 N ATOM 839 CA SER A 150 71.274 -6.079 11.583 1.00 0.00 C ATOM 840 C SER A 150 70.699 -6.032 10.165 1.00 0.00 C ATOM 841 O SER A 150 69.747 -5.325 9.889 1.00 0.00 O ATOM 842 CB SER A 150 72.562 -5.259 11.681 1.00 0.00 C ATOM 843 OG SER A 150 73.634 -5.976 11.080 1.00 0.00 O ATOM 0 H SER A 150 72.628 -7.594 12.243 1.00 0.00 H new ATOM 0 HA SER A 150 70.508 -5.690 12.254 1.00 0.00 H new ATOM 0 HB2 SER A 150 72.431 -4.298 11.184 1.00 0.00 H new ATOM 0 HB3 SER A 150 72.792 -5.049 12.726 1.00 0.00 H new ATOM 0 HG SER A 150 73.282 -6.766 10.620 1.00 0.00 H new ATOM 849 N VAL A 151 71.263 -6.790 9.266 1.00 0.00 N ATOM 850 CA VAL A 151 70.741 -6.798 7.870 1.00 0.00 C ATOM 851 C VAL A 151 69.352 -7.442 7.836 1.00 0.00 C ATOM 852 O VAL A 151 68.430 -6.917 7.242 1.00 0.00 O ATOM 853 CB VAL A 151 71.742 -7.634 7.074 1.00 0.00 C ATOM 854 CG1 VAL A 151 71.508 -7.423 5.577 1.00 0.00 C ATOM 855 CG2 VAL A 151 73.165 -7.197 7.432 1.00 0.00 C ATOM 0 H VAL A 151 72.060 -7.403 9.436 1.00 0.00 H new ATOM 0 HA VAL A 151 70.638 -5.794 7.459 1.00 0.00 H new ATOM 0 HB VAL A 151 71.610 -8.688 7.317 1.00 0.00 H new ATOM 0 HG11 VAL A 151 72.222 -8.020 5.009 1.00 0.00 H new ATOM 0 HG12 VAL A 151 70.494 -7.730 5.320 1.00 0.00 H new ATOM 0 HG13 VAL A 151 71.641 -6.369 5.333 1.00 0.00 H new ATOM 0 HG21 VAL A 151 73.882 -7.792 6.866 1.00 0.00 H new ATOM 0 HG22 VAL A 151 73.294 -6.143 7.187 1.00 0.00 H new ATOM 0 HG23 VAL A 151 73.334 -7.345 8.499 1.00 0.00 H new ATOM 865 N ASP A 152 69.191 -8.571 8.475 1.00 0.00 N ATOM 866 CA ASP A 152 67.857 -9.234 8.478 1.00 0.00 C ATOM 867 C ASP A 152 66.807 -8.271 9.040 1.00 0.00 C ATOM 868 O ASP A 152 65.662 -8.275 8.635 1.00 0.00 O ATOM 869 CB ASP A 152 68.020 -10.476 9.372 1.00 0.00 C ATOM 870 CG ASP A 152 67.628 -10.159 10.823 1.00 0.00 C ATOM 871 OD1 ASP A 152 66.464 -9.877 11.051 1.00 0.00 O ATOM 872 OD2 ASP A 152 68.495 -10.207 11.676 1.00 0.00 O ATOM 0 H ASP A 152 69.922 -9.059 8.992 1.00 0.00 H new ATOM 0 HA ASP A 152 67.523 -9.516 7.479 1.00 0.00 H new ATOM 0 HB2 ASP A 152 67.399 -11.287 8.992 1.00 0.00 H new ATOM 0 HB3 ASP A 152 69.053 -10.822 9.337 1.00 0.00 H new ATOM 877 N LYS A 153 67.197 -7.443 9.971 1.00 0.00 N ATOM 878 CA LYS A 153 66.230 -6.477 10.560 1.00 0.00 C ATOM 879 C LYS A 153 65.749 -5.502 9.486 1.00 0.00 C ATOM 880 O LYS A 153 64.567 -5.304 9.301 1.00 0.00 O ATOM 881 CB LYS A 153 67.015 -5.741 11.646 1.00 0.00 C ATOM 882 CG LYS A 153 67.136 -6.636 12.880 1.00 0.00 C ATOM 883 CD LYS A 153 67.466 -5.779 14.103 1.00 0.00 C ATOM 884 CE LYS A 153 67.401 -6.642 15.364 1.00 0.00 C ATOM 885 NZ LYS A 153 66.417 -5.954 16.247 1.00 0.00 N ATOM 0 H LYS A 153 68.143 -7.395 10.348 1.00 0.00 H new ATOM 0 HA LYS A 153 65.345 -6.968 10.965 1.00 0.00 H new ATOM 0 HB2 LYS A 153 68.006 -5.475 11.277 1.00 0.00 H new ATOM 0 HB3 LYS A 153 66.512 -4.810 11.906 1.00 0.00 H new ATOM 0 HG2 LYS A 153 66.204 -7.177 13.043 1.00 0.00 H new ATOM 0 HG3 LYS A 153 67.915 -7.383 12.725 1.00 0.00 H new ATOM 0 HD2 LYS A 153 68.460 -5.344 13.998 1.00 0.00 H new ATOM 0 HD3 LYS A 153 66.762 -4.950 14.180 1.00 0.00 H new ATOM 0 HE2 LYS A 153 67.081 -7.658 15.132 1.00 0.00 H new ATOM 0 HE3 LYS A 153 68.377 -6.717 15.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 66.316 -6.486 17.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 66.751 -4.992 16.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 65.496 -5.904 15.767 1.00 0.00 H new ATOM 899 N VAL A 154 66.656 -4.896 8.771 1.00 0.00 N ATOM 900 CA VAL A 154 66.237 -3.942 7.705 1.00 0.00 C ATOM 901 C VAL A 154 65.576 -4.703 6.553 1.00 0.00 C ATOM 902 O VAL A 154 64.981 -4.119 5.668 1.00 0.00 O ATOM 903 CB VAL A 154 67.529 -3.265 7.246 1.00 0.00 C ATOM 904 CG1 VAL A 154 68.427 -4.283 6.536 1.00 0.00 C ATOM 905 CG2 VAL A 154 67.191 -2.124 6.286 1.00 0.00 C ATOM 0 H VAL A 154 67.663 -5.019 8.877 1.00 0.00 H new ATOM 0 HA VAL A 154 65.508 -3.213 8.059 1.00 0.00 H new ATOM 0 HB VAL A 154 68.056 -2.869 8.114 1.00 0.00 H new ATOM 0 HG11 VAL A 154 69.346 -3.794 6.212 1.00 0.00 H new ATOM 0 HG12 VAL A 154 68.671 -5.094 7.222 1.00 0.00 H new ATOM 0 HG13 VAL A 154 67.905 -4.686 5.668 1.00 0.00 H new ATOM 0 HG21 VAL A 154 68.111 -1.640 5.958 1.00 0.00 H new ATOM 0 HG22 VAL A 154 66.661 -2.522 5.420 1.00 0.00 H new ATOM 0 HG23 VAL A 154 66.559 -1.396 6.795 1.00 0.00 H new ATOM 915 N MET A 155 65.673 -6.003 6.563 1.00 0.00 N ATOM 916 CA MET A 155 65.048 -6.808 5.475 1.00 0.00 C ATOM 917 C MET A 155 63.611 -7.180 5.859 1.00 0.00 C ATOM 918 O MET A 155 62.749 -7.321 5.014 1.00 0.00 O ATOM 919 CB MET A 155 65.927 -8.059 5.363 1.00 0.00 C ATOM 920 CG MET A 155 65.141 -9.195 4.704 1.00 0.00 C ATOM 921 SD MET A 155 64.656 -8.705 3.032 1.00 0.00 S ATOM 922 CE MET A 155 65.113 -10.250 2.209 1.00 0.00 C ATOM 0 H MET A 155 66.159 -6.544 7.278 1.00 0.00 H new ATOM 0 HA MET A 155 64.990 -6.268 4.530 1.00 0.00 H new ATOM 0 HB2 MET A 155 66.819 -7.835 4.777 1.00 0.00 H new ATOM 0 HB3 MET A 155 66.264 -8.366 6.353 1.00 0.00 H new ATOM 0 HG2 MET A 155 65.750 -10.099 4.667 1.00 0.00 H new ATOM 0 HG3 MET A 155 64.257 -9.430 5.296 1.00 0.00 H new ATOM 0 HE1 MET A 155 64.896 -10.173 1.144 1.00 0.00 H new ATOM 0 HE2 MET A 155 66.178 -10.436 2.350 1.00 0.00 H new ATOM 0 HE3 MET A 155 64.541 -11.073 2.637 1.00 0.00 H new ATOM 932 N ASP A 156 63.347 -7.344 7.127 1.00 0.00 N ATOM 933 CA ASP A 156 61.968 -7.711 7.560 1.00 0.00 C ATOM 934 C ASP A 156 60.952 -6.695 7.025 1.00 0.00 C ATOM 935 O ASP A 156 59.782 -6.990 6.880 1.00 0.00 O ATOM 936 CB ASP A 156 62.016 -7.699 9.094 1.00 0.00 C ATOM 937 CG ASP A 156 61.807 -6.277 9.625 1.00 0.00 C ATOM 938 OD1 ASP A 156 62.269 -5.350 8.980 1.00 0.00 O ATOM 939 OD2 ASP A 156 61.188 -6.140 10.667 1.00 0.00 O ATOM 0 H ASP A 156 64.026 -7.240 7.881 1.00 0.00 H new ATOM 0 HA ASP A 156 61.657 -8.683 7.178 1.00 0.00 H new ATOM 0 HB2 ASP A 156 61.246 -8.360 9.493 1.00 0.00 H new ATOM 0 HB3 ASP A 156 62.976 -8.084 9.437 1.00 0.00 H new ATOM 944 N GLN A 157 61.391 -5.501 6.730 1.00 0.00 N ATOM 945 CA GLN A 157 60.451 -4.469 6.206 1.00 0.00 C ATOM 946 C GLN A 157 61.124 -3.668 5.091 1.00 0.00 C ATOM 947 O GLN A 157 61.828 -2.711 5.343 1.00 0.00 O ATOM 948 CB GLN A 157 60.148 -3.568 7.403 1.00 0.00 C ATOM 949 CG GLN A 157 59.388 -2.327 6.930 1.00 0.00 C ATOM 950 CD GLN A 157 60.091 -1.070 7.446 1.00 0.00 C ATOM 951 OE1 GLN A 157 59.802 -0.600 8.528 1.00 0.00 O ATOM 952 NE2 GLN A 157 61.009 -0.502 6.713 1.00 0.00 N ATOM 0 H GLN A 157 62.359 -5.196 6.829 1.00 0.00 H new ATOM 0 HA GLN A 157 59.545 -4.906 5.785 1.00 0.00 H new ATOM 0 HB2 GLN A 157 59.556 -4.111 8.139 1.00 0.00 H new ATOM 0 HB3 GLN A 157 61.076 -3.274 7.894 1.00 0.00 H new ATOM 0 HG2 GLN A 157 59.341 -2.309 5.841 1.00 0.00 H new ATOM 0 HG3 GLN A 157 58.361 -2.357 7.293 1.00 0.00 H new ATOM 0 HE21 GLN A 157 61.252 -0.896 5.804 1.00 0.00 H new ATOM 0 HE22 GLN A 157 61.483 0.336 7.049 1.00 0.00 H new ATOM 961 N LYS A 158 60.919 -4.050 3.860 1.00 0.00 N ATOM 962 CA LYS A 158 61.560 -3.301 2.744 1.00 0.00 C ATOM 963 C LYS A 158 60.656 -2.173 2.267 1.00 0.00 C ATOM 964 O LYS A 158 60.880 -1.581 1.230 1.00 0.00 O ATOM 965 CB LYS A 158 61.792 -4.333 1.639 1.00 0.00 C ATOM 966 CG LYS A 158 60.446 -4.824 1.102 1.00 0.00 C ATOM 967 CD LYS A 158 60.684 -5.835 -0.022 1.00 0.00 C ATOM 968 CE LYS A 158 59.771 -7.045 0.179 1.00 0.00 C ATOM 969 NZ LYS A 158 58.483 -6.661 -0.462 1.00 0.00 N ATOM 0 H LYS A 158 60.340 -4.842 3.581 1.00 0.00 H new ATOM 0 HA LYS A 158 62.495 -2.833 3.051 1.00 0.00 H new ATOM 0 HB2 LYS A 158 62.377 -3.891 0.832 1.00 0.00 H new ATOM 0 HB3 LYS A 158 62.368 -5.173 2.027 1.00 0.00 H new ATOM 0 HG2 LYS A 158 59.869 -5.284 1.904 1.00 0.00 H new ATOM 0 HG3 LYS A 158 59.861 -3.982 0.731 1.00 0.00 H new ATOM 0 HD2 LYS A 158 60.486 -5.373 -0.989 1.00 0.00 H new ATOM 0 HD3 LYS A 158 61.727 -6.150 -0.027 1.00 0.00 H new ATOM 0 HE2 LYS A 158 60.191 -7.939 -0.282 1.00 0.00 H new ATOM 0 HE3 LYS A 158 59.635 -7.267 1.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 57.802 -7.441 -0.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 58.104 -5.811 0.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 58.643 -6.462 -1.470 1.00 0.00 H new ATOM 983 N GLU A 159 59.668 -1.833 3.038 1.00 0.00 N ATOM 984 CA GLU A 159 58.798 -0.700 2.643 1.00 0.00 C ATOM 985 C GLU A 159 59.445 0.554 3.197 1.00 0.00 C ATOM 986 O GLU A 159 58.965 1.178 4.124 1.00 0.00 O ATOM 987 CB GLU A 159 57.466 -0.948 3.317 1.00 0.00 C ATOM 988 CG GLU A 159 56.626 -1.906 2.468 1.00 0.00 C ATOM 989 CD GLU A 159 56.007 -1.141 1.296 1.00 0.00 C ATOM 990 OE1 GLU A 159 55.602 -0.009 1.501 1.00 0.00 O ATOM 991 OE2 GLU A 159 55.950 -1.701 0.214 1.00 0.00 O ATOM 0 H GLU A 159 59.426 -2.287 3.919 1.00 0.00 H new ATOM 0 HA GLU A 159 58.664 -0.599 1.566 1.00 0.00 H new ATOM 0 HB2 GLU A 159 57.623 -1.370 4.310 1.00 0.00 H new ATOM 0 HB3 GLU A 159 56.935 -0.006 3.451 1.00 0.00 H new ATOM 0 HG2 GLU A 159 57.248 -2.720 2.096 1.00 0.00 H new ATOM 0 HG3 GLU A 159 55.842 -2.356 3.077 1.00 0.00 H new ATOM 998 N HIS A 160 60.570 0.881 2.655 1.00 0.00 N ATOM 999 CA HIS A 160 61.338 2.055 3.145 1.00 0.00 C ATOM 1000 C HIS A 160 60.884 3.343 2.457 1.00 0.00 C ATOM 1001 O HIS A 160 60.437 3.332 1.326 1.00 0.00 O ATOM 1002 CB HIS A 160 62.779 1.770 2.750 1.00 0.00 C ATOM 1003 CG HIS A 160 63.337 0.669 3.597 1.00 0.00 C ATOM 1004 ND1 HIS A 160 64.017 0.912 4.795 1.00 0.00 N ATOM 1005 CD2 HIS A 160 63.339 -0.692 3.429 1.00 0.00 C ATOM 1006 CE1 HIS A 160 64.397 -0.281 5.295 1.00 0.00 C ATOM 1007 NE2 HIS A 160 64.003 -1.261 4.495 1.00 0.00 N ATOM 0 H HIS A 160 61.003 0.380 1.879 1.00 0.00 H new ATOM 0 HA HIS A 160 61.200 2.194 4.217 1.00 0.00 H new ATOM 0 HB2 HIS A 160 62.827 1.490 1.698 1.00 0.00 H new ATOM 0 HB3 HIS A 160 63.381 2.671 2.868 1.00 0.00 H new ATOM 0 HD2 HIS A 160 62.896 -1.227 2.602 1.00 0.00 H new ATOM 0 HE1 HIS A 160 64.944 -0.418 6.216 1.00 0.00 H new ATOM 0 HE2 HIS A 160 64.162 -2.258 4.642 1.00 0.00 H new ATOM 1015 N LYS A 161 61.022 4.456 3.124 1.00 0.00 N ATOM 1016 CA LYS A 161 60.623 5.754 2.510 1.00 0.00 C ATOM 1017 C LYS A 161 61.549 6.866 3.012 1.00 0.00 C ATOM 1018 O LYS A 161 61.160 7.695 3.810 1.00 0.00 O ATOM 1019 CB LYS A 161 59.187 6.005 2.980 1.00 0.00 C ATOM 1020 CG LYS A 161 58.398 4.695 2.975 1.00 0.00 C ATOM 1021 CD LYS A 161 56.902 5.000 2.934 1.00 0.00 C ATOM 1022 CE LYS A 161 56.171 3.837 2.265 1.00 0.00 C ATOM 1023 NZ LYS A 161 54.750 4.276 2.174 1.00 0.00 N ATOM 0 H LYS A 161 61.395 4.522 4.071 1.00 0.00 H new ATOM 0 HA LYS A 161 60.691 5.734 1.422 1.00 0.00 H new ATOM 0 HB2 LYS A 161 59.193 6.431 3.983 1.00 0.00 H new ATOM 0 HB3 LYS A 161 58.704 6.732 2.328 1.00 0.00 H new ATOM 0 HG2 LYS A 161 58.680 4.092 2.112 1.00 0.00 H new ATOM 0 HG3 LYS A 161 58.636 4.111 3.864 1.00 0.00 H new ATOM 0 HD2 LYS A 161 56.522 5.152 3.944 1.00 0.00 H new ATOM 0 HD3 LYS A 161 56.722 5.923 2.384 1.00 0.00 H new ATOM 0 HE2 LYS A 161 56.583 3.627 1.278 1.00 0.00 H new ATOM 0 HE3 LYS A 161 56.265 2.923 2.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 54.184 3.528 1.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 54.382 4.462 3.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 54.691 5.145 1.605 1.00 0.00 H new ATOM 1037 N LEU A 162 62.772 6.884 2.560 1.00 0.00 N ATOM 1038 CA LEU A 162 63.720 7.937 3.022 1.00 0.00 C ATOM 1039 C LEU A 162 63.957 8.969 1.918 1.00 0.00 C ATOM 1040 O LEU A 162 63.861 8.672 0.743 1.00 0.00 O ATOM 1041 CB LEU A 162 65.008 7.181 3.341 1.00 0.00 C ATOM 1042 CG LEU A 162 65.476 6.416 2.102 1.00 0.00 C ATOM 1043 CD1 LEU A 162 66.932 6.779 1.801 1.00 0.00 C ATOM 1044 CD2 LEU A 162 65.371 4.910 2.365 1.00 0.00 C ATOM 0 H LEU A 162 63.156 6.216 1.891 1.00 0.00 H new ATOM 0 HA LEU A 162 63.341 8.488 3.883 1.00 0.00 H new ATOM 0 HB2 LEU A 162 65.781 7.879 3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 162 64.840 6.489 4.166 1.00 0.00 H new ATOM 0 HG LEU A 162 64.850 6.682 1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 162 67.268 6.235 0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 162 67.009 7.851 1.618 1.00 0.00 H new ATOM 0 HD13 LEU A 162 67.557 6.510 2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 162 65.704 4.363 1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 162 65.999 4.645 3.216 1.00 0.00 H new ATOM 0 HD23 LEU A 162 64.335 4.650 2.584 1.00 0.00 H new ATOM 1056 N ASN A 163 64.266 10.183 2.288 1.00 0.00 N ATOM 1057 CA ASN A 163 64.508 11.236 1.263 1.00 0.00 C ATOM 1058 C ASN A 163 63.261 11.424 0.397 1.00 0.00 C ATOM 1059 O ASN A 163 63.327 11.931 -0.705 1.00 0.00 O ATOM 1060 CB ASN A 163 65.672 10.712 0.422 1.00 0.00 C ATOM 1061 CG ASN A 163 66.930 11.521 0.740 1.00 0.00 C ATOM 1062 OD1 ASN A 163 67.619 11.972 -0.153 1.00 0.00 O ATOM 1063 ND2 ASN A 163 67.261 11.723 1.986 1.00 0.00 N ATOM 0 H ASN A 163 64.361 10.490 3.256 1.00 0.00 H new ATOM 0 HA ASN A 163 64.734 12.204 1.710 1.00 0.00 H new ATOM 0 HB2 ASN A 163 65.842 9.656 0.633 1.00 0.00 H new ATOM 0 HB3 ASN A 163 65.434 10.791 -0.639 1.00 0.00 H new ATOM 0 HD21 ASN A 163 68.099 12.260 2.211 1.00 0.00 H new ATOM 0 HD22 ASN A 163 66.682 11.344 2.735 1.00 0.00 H new ATOM 1070 N GLY A 164 62.124 11.016 0.888 1.00 0.00 N ATOM 1071 CA GLY A 164 60.874 11.166 0.092 1.00 0.00 C ATOM 1072 C GLY A 164 60.879 10.149 -1.049 1.00 0.00 C ATOM 1073 O GLY A 164 60.270 10.354 -2.079 1.00 0.00 O ATOM 0 H GLY A 164 62.006 10.586 1.805 1.00 0.00 H new ATOM 0 HA2 GLY A 164 60.003 11.012 0.729 1.00 0.00 H new ATOM 0 HA3 GLY A 164 60.802 12.178 -0.307 1.00 0.00 H new ATOM 1077 N LYS A 165 61.569 9.054 -0.875 1.00 0.00 N ATOM 1078 CA LYS A 165 61.617 8.027 -1.952 1.00 0.00 C ATOM 1079 C LYS A 165 61.756 6.625 -1.349 1.00 0.00 C ATOM 1080 O LYS A 165 62.328 6.445 -0.289 1.00 0.00 O ATOM 1081 CB LYS A 165 62.855 8.381 -2.779 1.00 0.00 C ATOM 1082 CG LYS A 165 62.584 8.092 -4.256 1.00 0.00 C ATOM 1083 CD LYS A 165 63.035 9.284 -5.103 1.00 0.00 C ATOM 1084 CE LYS A 165 61.957 10.371 -5.074 1.00 0.00 C ATOM 1085 NZ LYS A 165 62.664 11.624 -5.460 1.00 0.00 N ATOM 0 H LYS A 165 62.100 8.828 -0.034 1.00 0.00 H new ATOM 0 HA LYS A 165 60.709 8.020 -2.555 1.00 0.00 H new ATOM 0 HB2 LYS A 165 63.107 9.433 -2.644 1.00 0.00 H new ATOM 0 HB3 LYS A 165 63.712 7.802 -2.436 1.00 0.00 H new ATOM 0 HG2 LYS A 165 63.116 7.192 -4.564 1.00 0.00 H new ATOM 0 HG3 LYS A 165 61.522 7.904 -4.411 1.00 0.00 H new ATOM 0 HD2 LYS A 165 63.976 9.680 -4.720 1.00 0.00 H new ATOM 0 HD3 LYS A 165 63.217 8.966 -6.129 1.00 0.00 H new ATOM 0 HE2 LYS A 165 61.148 10.144 -5.769 1.00 0.00 H new ATOM 0 HE3 LYS A 165 61.511 10.458 -4.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 165 61.970 12.387 -5.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 165 63.331 11.892 -4.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 165 63.185 11.469 -6.347 1.00 0.00 H new ATOM 1099 N VAL A 166 61.240 5.631 -2.019 1.00 0.00 N ATOM 1100 CA VAL A 166 61.343 4.238 -1.494 1.00 0.00 C ATOM 1101 C VAL A 166 62.597 3.564 -2.058 1.00 0.00 C ATOM 1102 O VAL A 166 63.147 3.999 -3.052 1.00 0.00 O ATOM 1103 CB VAL A 166 60.079 3.535 -1.994 1.00 0.00 C ATOM 1104 CG1 VAL A 166 60.069 2.089 -1.499 1.00 0.00 C ATOM 1105 CG2 VAL A 166 58.846 4.267 -1.459 1.00 0.00 C ATOM 0 H VAL A 166 60.750 5.723 -2.909 1.00 0.00 H new ATOM 0 HA VAL A 166 61.422 4.203 -0.407 1.00 0.00 H new ATOM 0 HB VAL A 166 60.064 3.544 -3.084 1.00 0.00 H new ATOM 0 HG11 VAL A 166 59.169 1.589 -1.855 1.00 0.00 H new ATOM 0 HG12 VAL A 166 60.948 1.568 -1.879 1.00 0.00 H new ATOM 0 HG13 VAL A 166 60.083 2.077 -0.409 1.00 0.00 H new ATOM 0 HG21 VAL A 166 57.944 3.768 -1.814 1.00 0.00 H new ATOM 0 HG22 VAL A 166 58.861 4.257 -0.369 1.00 0.00 H new ATOM 0 HG23 VAL A 166 58.853 5.298 -1.812 1.00 0.00 H new ATOM 1115 N ILE A 167 63.063 2.515 -1.436 1.00 0.00 N ATOM 1116 CA ILE A 167 64.291 1.840 -1.953 1.00 0.00 C ATOM 1117 C ILE A 167 64.053 0.353 -2.200 1.00 0.00 C ATOM 1118 O ILE A 167 62.973 -0.168 -2.007 1.00 0.00 O ATOM 1119 CB ILE A 167 65.352 1.994 -0.864 1.00 0.00 C ATOM 1120 CG1 ILE A 167 64.710 1.843 0.512 1.00 0.00 C ATOM 1121 CG2 ILE A 167 66.016 3.361 -0.974 1.00 0.00 C ATOM 1122 CD1 ILE A 167 65.795 1.641 1.570 1.00 0.00 C ATOM 0 H ILE A 167 62.652 2.098 -0.600 1.00 0.00 H new ATOM 0 HA ILE A 167 64.591 2.286 -2.901 1.00 0.00 H new ATOM 0 HB ILE A 167 66.107 1.219 -0.994 1.00 0.00 H new ATOM 0 HG12 ILE A 167 64.120 2.729 0.747 1.00 0.00 H new ATOM 0 HG13 ILE A 167 64.026 0.995 0.513 1.00 0.00 H new ATOM 0 HG21 ILE A 167 66.771 3.463 -0.194 1.00 0.00 H new ATOM 0 HG22 ILE A 167 66.489 3.458 -1.951 1.00 0.00 H new ATOM 0 HG23 ILE A 167 65.264 4.141 -0.855 1.00 0.00 H new ATOM 0 HD11 ILE A 167 65.331 1.534 2.551 1.00 0.00 H new ATOM 0 HD12 ILE A 167 66.366 0.742 1.338 1.00 0.00 H new ATOM 0 HD13 ILE A 167 66.462 2.503 1.576 1.00 0.00 H new ATOM 1134 N ASP A 168 65.086 -0.328 -2.608 1.00 0.00 N ATOM 1135 CA ASP A 168 64.991 -1.789 -2.859 1.00 0.00 C ATOM 1136 C ASP A 168 66.138 -2.479 -2.120 1.00 0.00 C ATOM 1137 O ASP A 168 67.243 -2.560 -2.623 1.00 0.00 O ATOM 1138 CB ASP A 168 65.141 -1.948 -4.374 1.00 0.00 C ATOM 1139 CG ASP A 168 64.387 -3.197 -4.835 1.00 0.00 C ATOM 1140 OD1 ASP A 168 63.189 -3.101 -5.039 1.00 0.00 O ATOM 1141 OD2 ASP A 168 65.023 -4.229 -4.977 1.00 0.00 O ATOM 0 H ASP A 168 66.007 0.075 -2.781 1.00 0.00 H new ATOM 0 HA ASP A 168 64.055 -2.228 -2.513 1.00 0.00 H new ATOM 0 HB2 ASP A 168 64.751 -1.067 -4.883 1.00 0.00 H new ATOM 0 HB3 ASP A 168 66.195 -2.029 -4.639 1.00 0.00 H new ATOM 1146 N PRO A 169 65.836 -2.926 -0.929 1.00 0.00 N ATOM 1147 CA PRO A 169 66.850 -3.597 -0.080 1.00 0.00 C ATOM 1148 C PRO A 169 67.140 -5.013 -0.585 1.00 0.00 C ATOM 1149 O PRO A 169 66.251 -5.832 -0.717 1.00 0.00 O ATOM 1150 CB PRO A 169 66.191 -3.641 1.296 1.00 0.00 C ATOM 1151 CG PRO A 169 64.721 -3.590 1.027 1.00 0.00 C ATOM 1152 CD PRO A 169 64.528 -2.847 -0.271 1.00 0.00 C ATOM 0 HA PRO A 169 67.809 -3.078 -0.079 1.00 0.00 H new ATOM 0 HB2 PRO A 169 66.462 -4.550 1.834 1.00 0.00 H new ATOM 0 HB3 PRO A 169 66.508 -2.800 1.912 1.00 0.00 H new ATOM 0 HG2 PRO A 169 64.308 -4.596 0.959 1.00 0.00 H new ATOM 0 HG3 PRO A 169 64.199 -3.085 1.840 1.00 0.00 H new ATOM 0 HD2 PRO A 169 63.748 -3.304 -0.879 1.00 0.00 H new ATOM 0 HD3 PRO A 169 64.231 -1.813 -0.097 1.00 0.00 H new ATOM 1160 N LYS A 170 68.380 -5.306 -0.859 1.00 0.00 N ATOM 1161 CA LYS A 170 68.738 -6.669 -1.345 1.00 0.00 C ATOM 1162 C LYS A 170 70.153 -7.020 -0.911 1.00 0.00 C ATOM 1163 O LYS A 170 70.743 -6.364 -0.075 1.00 0.00 O ATOM 1164 CB LYS A 170 68.690 -6.587 -2.865 1.00 0.00 C ATOM 1165 CG LYS A 170 67.429 -7.282 -3.381 1.00 0.00 C ATOM 1166 CD LYS A 170 67.780 -8.123 -4.610 1.00 0.00 C ATOM 1167 CE LYS A 170 66.523 -8.826 -5.128 1.00 0.00 C ATOM 1168 NZ LYS A 170 66.119 -9.750 -4.031 1.00 0.00 N ATOM 0 H LYS A 170 69.164 -4.659 -0.767 1.00 0.00 H new ATOM 0 HA LYS A 170 68.062 -7.426 -0.948 1.00 0.00 H new ATOM 0 HB2 LYS A 170 68.698 -5.544 -3.183 1.00 0.00 H new ATOM 0 HB3 LYS A 170 69.576 -7.057 -3.292 1.00 0.00 H new ATOM 0 HG2 LYS A 170 67.005 -7.916 -2.602 1.00 0.00 H new ATOM 0 HG3 LYS A 170 66.671 -6.542 -3.637 1.00 0.00 H new ATOM 0 HD2 LYS A 170 68.201 -7.488 -5.389 1.00 0.00 H new ATOM 0 HD3 LYS A 170 68.541 -8.860 -4.354 1.00 0.00 H new ATOM 0 HE2 LYS A 170 65.733 -8.109 -5.351 1.00 0.00 H new ATOM 0 HE3 LYS A 170 66.727 -9.372 -6.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 65.584 -10.548 -4.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 66.968 -10.109 -3.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 65.523 -9.239 -3.349 1.00 0.00 H new ATOM 1182 N ARG A 171 70.711 -8.039 -1.492 1.00 0.00 N ATOM 1183 CA ARG A 171 72.098 -8.419 -1.133 1.00 0.00 C ATOM 1184 C ARG A 171 73.077 -7.692 -2.055 1.00 0.00 C ATOM 1185 O ARG A 171 72.699 -6.813 -2.804 1.00 0.00 O ATOM 1186 CB ARG A 171 72.171 -9.932 -1.336 1.00 0.00 C ATOM 1187 CG ARG A 171 71.934 -10.638 0.001 1.00 0.00 C ATOM 1188 CD ARG A 171 72.594 -12.019 -0.025 1.00 0.00 C ATOM 1189 NE ARG A 171 72.254 -12.636 1.287 1.00 0.00 N ATOM 1190 CZ ARG A 171 72.793 -13.775 1.631 1.00 0.00 C ATOM 1191 NH1 ARG A 171 74.040 -14.021 1.336 1.00 0.00 N ATOM 1192 NH2 ARG A 171 72.086 -14.667 2.269 1.00 0.00 N ATOM 0 H ARG A 171 70.267 -8.624 -2.199 1.00 0.00 H new ATOM 0 HA ARG A 171 72.357 -8.149 -0.109 1.00 0.00 H new ATOM 0 HB2 ARG A 171 71.424 -10.248 -2.064 1.00 0.00 H new ATOM 0 HB3 ARG A 171 73.145 -10.209 -1.738 1.00 0.00 H new ATOM 0 HG2 ARG A 171 72.345 -10.043 0.816 1.00 0.00 H new ATOM 0 HG3 ARG A 171 70.865 -10.738 0.187 1.00 0.00 H new ATOM 0 HD2 ARG A 171 72.218 -12.620 -0.853 1.00 0.00 H new ATOM 0 HD3 ARG A 171 73.673 -11.938 -0.155 1.00 0.00 H new ATOM 0 HE ARG A 171 71.601 -12.170 1.916 1.00 0.00 H new ATOM 0 HH11 ARG A 171 74.593 -13.324 0.837 1.00 0.00 H new ATOM 0 HH12 ARG A 171 74.462 -14.910 1.604 1.00 0.00 H new ATOM 0 HH21 ARG A 171 71.111 -14.475 2.500 1.00 0.00 H new ATOM 0 HH22 ARG A 171 72.508 -15.556 2.537 1.00 0.00 H new