USER MOD reduce.3.24.130724 H: found=0, std=0, add=426, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 419 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 142 TYR OH : rot 106:sc= 0.0438 USER MOD Set 1.2: A 172 SER OG : rot -22:sc= 1.28 USER MOD Set 2.1: A 127 CYS SG : rot 142:sc= -0.543 USER MOD Set 2.2: A 132 CYS SG : rot -170:sc= -0.113 USER MOD Set 2.3: A 149 CYS SG : rot 180:sc= -0.631 USER MOD Set 2.4: A 152 HIS : no HD1:sc= -8.69! C(o=-10!,f=-10!) USER MOD Set 3.1: A 143 HIS :FLIP no HD1:sc= -0.622 F(o=-2.9,f=-1.2) USER MOD Set 3.2: A 153 SER OG : rot 129:sc= -0.537 USER MOD Single : A 126 CYS SG : rot 180:sc= -0.833 USER MOD Single : A 128 GLN : amide:sc= -3.71 K(o=-3.7,f=-9.2!) USER MOD Single : A 131 ASN : amide:sc= -0.206 X(o=-0.21,f=-0.007) USER MOD Single : A 137 SER OG : rot -160:sc= -2.7! USER MOD Single : A 138 LYS NZ :NH3+ 156:sc= -0.0329 (180deg=-0.317) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 146 HIS :FLIP no HE2:sc= -2.57! F(o=-3.7,f=-2.5!) USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 THR OG1 : rot 180:sc= 0 USER MOD Single : A 157 THR OG1 : rot 180:sc= 0.0228 USER MOD Single : A 164 MET CE :methyl -139:sc= -0.0573 (180deg=-2.04) USER MOD Single : A 165 GLN : amide:sc= -1.96 K(o=-2,f=-8!) USER MOD Single : A 168 CYS SG : rot 180:sc= 0.0746 USER MOD Single : A 169 GLN : amide:sc= -0.0603 K(o=-0.06,f=-0.81) USER MOD Single : A 170 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 171 CYS SG : rot 180:sc= 0 USER MOD Single : A 175 HIS : no HD1:sc= -0.192 X(o=-0.19,f=-0.027) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 124 0.358 15.422 -6.399 1.00 0.00 N ATOM 2 CA ALA A 124 0.246 14.456 -5.276 1.00 0.00 C ATOM 3 C ALA A 124 -0.237 13.095 -5.769 1.00 0.00 C ATOM 4 O ALA A 124 -0.965 13.004 -6.757 1.00 0.00 O ATOM 5 CB ALA A 124 -0.698 14.992 -4.210 1.00 0.00 C ATOM 0 HA ALA A 124 1.237 14.329 -4.841 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -0.770 14.274 -3.393 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -0.315 15.938 -3.828 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -1.686 15.149 -4.644 1.00 0.00 H new ATOM 11 N ILE A 125 0.175 12.040 -5.073 1.00 0.00 N ATOM 12 CA ILE A 125 -0.214 10.684 -5.440 1.00 0.00 C ATOM 13 C ILE A 125 -0.943 9.995 -4.292 1.00 0.00 C ATOM 14 O ILE A 125 -0.320 9.412 -3.406 1.00 0.00 O ATOM 15 CB ILE A 125 1.009 9.834 -5.840 1.00 0.00 C ATOM 16 CG1 ILE A 125 1.847 10.569 -6.888 1.00 0.00 C ATOM 17 CG2 ILE A 125 0.562 8.478 -6.367 1.00 0.00 C ATOM 18 CD1 ILE A 125 3.339 10.435 -6.672 1.00 0.00 C ATOM 0 H ILE A 125 0.778 12.099 -4.252 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.883 10.768 -6.297 1.00 0.00 H new ATOM 0 HB ILE A 125 1.626 9.673 -4.956 1.00 0.00 H new ATOM 0 HG12 ILE A 125 1.595 10.185 -7.877 1.00 0.00 H new ATOM 0 HG13 ILE A 125 1.580 11.626 -6.879 1.00 0.00 H new ATOM 0 HG21 ILE A 125 1.436 7.890 -6.645 1.00 0.00 H new ATOM 0 HG22 ILE A 125 0.003 7.953 -5.593 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -0.074 8.619 -7.241 1.00 0.00 H new ATOM 0 HD11 ILE A 125 3.870 10.981 -7.452 1.00 0.00 H new ATOM 0 HD12 ILE A 125 3.604 10.845 -5.697 1.00 0.00 H new ATOM 0 HD13 ILE A 125 3.619 9.382 -6.711 1.00 0.00 H new ATOM 30 N CYS A 126 -2.271 10.070 -4.312 1.00 0.00 N ATOM 31 CA CYS A 126 -3.087 9.456 -3.272 1.00 0.00 C ATOM 32 C CYS A 126 -2.838 7.953 -3.199 1.00 0.00 C ATOM 33 O CYS A 126 -2.388 7.338 -4.167 1.00 0.00 O ATOM 34 CB CYS A 126 -4.570 9.728 -3.531 1.00 0.00 C ATOM 35 SG CYS A 126 -5.539 10.020 -2.032 1.00 0.00 S ATOM 0 H CYS A 126 -2.804 10.550 -5.037 1.00 0.00 H new ATOM 0 HA CYS A 126 -2.805 9.898 -2.316 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -4.661 10.596 -4.184 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -4.996 8.880 -4.067 1.00 0.00 H new ATOM 0 HG CYS A 126 -6.779 10.243 -2.353 1.00 0.00 H new ATOM 41 N CYS A 127 -3.132 7.366 -2.044 1.00 0.00 N ATOM 42 CA CYS A 127 -2.941 5.933 -1.840 1.00 0.00 C ATOM 43 C CYS A 127 -3.741 5.125 -2.857 1.00 0.00 C ATOM 44 O CYS A 127 -4.920 5.396 -3.089 1.00 0.00 O ATOM 45 CB CYS A 127 -3.356 5.541 -0.421 1.00 0.00 C ATOM 46 SG CYS A 127 -2.891 3.858 0.046 1.00 0.00 S ATOM 0 H CYS A 127 -3.504 7.860 -1.233 1.00 0.00 H new ATOM 0 HA CYS A 127 -1.883 5.710 -1.979 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -2.905 6.240 0.284 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -4.437 5.647 -0.328 1.00 0.00 H new ATOM 0 HG CYS A 127 -2.516 3.841 1.291 1.00 0.00 H new ATOM 51 N GLN A 128 -3.094 4.134 -3.459 1.00 0.00 N ATOM 52 CA GLN A 128 -3.748 3.287 -4.449 1.00 0.00 C ATOM 53 C GLN A 128 -4.889 2.494 -3.820 1.00 0.00 C ATOM 54 O GLN A 128 -5.875 2.173 -4.484 1.00 0.00 O ATOM 55 CB GLN A 128 -2.735 2.330 -5.082 1.00 0.00 C ATOM 56 CG GLN A 128 -2.077 1.391 -4.084 1.00 0.00 C ATOM 57 CD GLN A 128 -0.734 0.879 -4.566 1.00 0.00 C ATOM 58 OE1 GLN A 128 0.244 0.870 -3.820 1.00 0.00 O ATOM 59 NE2 GLN A 128 -0.681 0.447 -5.821 1.00 0.00 N ATOM 0 H GLN A 128 -2.118 3.897 -3.279 1.00 0.00 H new ATOM 0 HA GLN A 128 -4.162 3.932 -5.224 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -3.236 1.739 -5.848 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -1.962 2.912 -5.584 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -1.945 1.910 -3.135 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -2.738 0.545 -3.896 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -1.517 0.473 -6.405 1.00 0.00 H new ATOM 0 HE22 GLN A 128 0.196 0.090 -6.201 1.00 0.00 H new ATOM 68 N VAL A 129 -4.751 2.185 -2.534 1.00 0.00 N ATOM 69 CA VAL A 129 -5.772 1.435 -1.816 1.00 0.00 C ATOM 70 C VAL A 129 -7.095 2.194 -1.792 1.00 0.00 C ATOM 71 O VAL A 129 -7.114 3.423 -1.731 1.00 0.00 O ATOM 72 CB VAL A 129 -5.339 1.135 -0.368 1.00 0.00 C ATOM 73 CG1 VAL A 129 -6.349 0.227 0.318 1.00 0.00 C ATOM 74 CG2 VAL A 129 -3.950 0.513 -0.341 1.00 0.00 C ATOM 0 H VAL A 129 -3.942 2.443 -1.969 1.00 0.00 H new ATOM 0 HA VAL A 129 -5.904 0.493 -2.348 1.00 0.00 H new ATOM 0 HB VAL A 129 -5.301 2.077 0.179 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -6.024 0.028 1.339 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -7.324 0.715 0.336 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -6.424 -0.713 -0.229 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -3.663 0.309 0.690 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -3.957 -0.419 -0.907 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -3.234 1.203 -0.787 1.00 0.00 H new ATOM 84 N ASP A 130 -8.198 1.455 -1.842 1.00 0.00 N ATOM 85 CA ASP A 130 -9.525 2.062 -1.825 1.00 0.00 C ATOM 86 C ASP A 130 -9.895 2.523 -0.420 1.00 0.00 C ATOM 87 O ASP A 130 -9.398 1.986 0.571 1.00 0.00 O ATOM 88 CB ASP A 130 -10.567 1.069 -2.343 1.00 0.00 C ATOM 89 CG ASP A 130 -10.324 0.674 -3.786 1.00 0.00 C ATOM 90 OD1 ASP A 130 -9.147 0.491 -4.160 1.00 0.00 O ATOM 91 OD2 ASP A 130 -11.311 0.548 -4.542 1.00 0.00 O ATOM 0 H ASP A 130 -8.200 0.436 -1.895 1.00 0.00 H new ATOM 0 HA ASP A 130 -9.508 2.934 -2.479 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -10.555 0.176 -1.718 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -11.560 1.509 -2.252 1.00 0.00 H new ATOM 96 N ASN A 131 -10.771 3.518 -0.342 1.00 0.00 N ATOM 97 CA ASN A 131 -11.208 4.051 0.944 1.00 0.00 C ATOM 98 C ASN A 131 -10.025 4.597 1.737 1.00 0.00 C ATOM 99 O ASN A 131 -10.025 4.571 2.968 1.00 0.00 O ATOM 100 CB ASN A 131 -11.921 2.967 1.752 1.00 0.00 C ATOM 101 CG ASN A 131 -13.300 2.652 1.206 1.00 0.00 C ATOM 102 OD1 ASN A 131 -13.622 1.497 0.925 1.00 0.00 O ATOM 103 ND2 ASN A 131 -14.125 3.682 1.053 1.00 0.00 N ATOM 0 H ASN A 131 -11.192 3.972 -1.152 1.00 0.00 H new ATOM 0 HA ASN A 131 -11.903 4.869 0.753 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -11.317 2.060 1.750 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -12.009 3.290 2.789 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -15.066 3.532 0.690 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -13.817 4.623 1.298 1.00 0.00 H new ATOM 110 N CYS A 132 -9.019 5.094 1.024 1.00 0.00 N ATOM 111 CA CYS A 132 -7.830 5.648 1.663 1.00 0.00 C ATOM 112 C CYS A 132 -7.382 6.924 0.959 1.00 0.00 C ATOM 113 O CYS A 132 -6.793 6.877 -0.120 1.00 0.00 O ATOM 114 CB CYS A 132 -6.695 4.623 1.654 1.00 0.00 C ATOM 115 SG CYS A 132 -5.461 4.875 2.952 1.00 0.00 S ATOM 0 H CYS A 132 -9.003 5.125 0.005 1.00 0.00 H new ATOM 0 HA CYS A 132 -8.082 5.891 2.695 1.00 0.00 H new ATOM 0 HB2 CYS A 132 -7.120 3.625 1.761 1.00 0.00 H new ATOM 0 HB3 CYS A 132 -6.198 4.656 0.684 1.00 0.00 H new ATOM 0 HG CYS A 132 -4.441 4.097 2.738 1.00 0.00 H new ATOM 120 N GLY A 133 -7.669 8.066 1.576 1.00 0.00 N ATOM 121 CA GLY A 133 -7.290 9.339 0.994 1.00 0.00 C ATOM 122 C GLY A 133 -5.980 9.865 1.549 1.00 0.00 C ATOM 123 O GLY A 133 -5.828 11.068 1.764 1.00 0.00 O ATOM 0 H GLY A 133 -8.158 8.132 2.469 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -7.205 9.229 -0.087 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -8.078 10.069 1.179 1.00 0.00 H new ATOM 127 N ALA A 134 -5.033 8.962 1.781 1.00 0.00 N ATOM 128 CA ALA A 134 -3.731 9.340 2.315 1.00 0.00 C ATOM 129 C ALA A 134 -2.929 10.139 1.292 1.00 0.00 C ATOM 130 O ALA A 134 -2.557 9.621 0.240 1.00 0.00 O ATOM 131 CB ALA A 134 -2.957 8.104 2.745 1.00 0.00 C ATOM 0 H ALA A 134 -5.144 7.963 1.607 1.00 0.00 H new ATOM 0 HA ALA A 134 -3.894 9.974 3.186 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -1.987 8.402 3.142 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -3.517 7.574 3.516 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -2.812 7.448 1.886 1.00 0.00 H new ATOM 137 N ASP A 135 -2.666 11.403 1.609 1.00 0.00 N ATOM 138 CA ASP A 135 -1.908 12.272 0.719 1.00 0.00 C ATOM 139 C ASP A 135 -0.424 11.920 0.750 1.00 0.00 C ATOM 140 O ASP A 135 0.199 11.907 1.811 1.00 0.00 O ATOM 141 CB ASP A 135 -2.107 13.737 1.111 1.00 0.00 C ATOM 142 CG ASP A 135 -2.210 14.651 -0.095 1.00 0.00 C ATOM 143 OD1 ASP A 135 -3.249 14.604 -0.787 1.00 0.00 O ATOM 144 OD2 ASP A 135 -1.254 15.412 -0.347 1.00 0.00 O ATOM 0 H ASP A 135 -2.967 11.847 2.476 1.00 0.00 H new ATOM 0 HA ASP A 135 -2.277 12.123 -0.296 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -3.012 13.830 1.712 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -1.275 14.059 1.737 1.00 0.00 H new ATOM 149 N LEU A 136 0.136 11.634 -0.420 1.00 0.00 N ATOM 150 CA LEU A 136 1.548 11.282 -0.527 1.00 0.00 C ATOM 151 C LEU A 136 2.345 12.415 -1.166 1.00 0.00 C ATOM 152 O LEU A 136 3.175 12.185 -2.046 1.00 0.00 O ATOM 153 CB LEU A 136 1.713 9.999 -1.346 1.00 0.00 C ATOM 154 CG LEU A 136 0.813 8.838 -0.917 1.00 0.00 C ATOM 155 CD1 LEU A 136 1.037 7.631 -1.816 1.00 0.00 C ATOM 156 CD2 LEU A 136 1.068 8.477 0.538 1.00 0.00 C ATOM 0 H LEU A 136 -0.366 11.639 -1.308 1.00 0.00 H new ATOM 0 HA LEU A 136 1.934 11.115 0.479 1.00 0.00 H new ATOM 0 HB2 LEU A 136 1.513 10.226 -2.393 1.00 0.00 H new ATOM 0 HB3 LEU A 136 2.752 9.676 -1.282 1.00 0.00 H new ATOM 0 HG LEU A 136 -0.226 9.151 -1.016 1.00 0.00 H new ATOM 0 HD11 LEU A 136 0.389 6.815 -1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 136 0.804 7.897 -2.847 1.00 0.00 H new ATOM 0 HD13 LEU A 136 2.078 7.315 -1.749 1.00 0.00 H new ATOM 0 HD21 LEU A 136 0.420 7.650 0.827 1.00 0.00 H new ATOM 0 HD22 LEU A 136 2.110 8.182 0.662 1.00 0.00 H new ATOM 0 HD23 LEU A 136 0.857 9.340 1.169 1.00 0.00 H new ATOM 168 N SER A 137 2.089 13.639 -0.717 1.00 0.00 N ATOM 169 CA SER A 137 2.783 14.807 -1.243 1.00 0.00 C ATOM 170 C SER A 137 4.015 15.134 -0.404 1.00 0.00 C ATOM 171 O SER A 137 5.067 15.484 -0.938 1.00 0.00 O ATOM 172 CB SER A 137 1.841 16.012 -1.280 1.00 0.00 C ATOM 173 OG SER A 137 1.241 16.152 -2.556 1.00 0.00 O ATOM 0 H SER A 137 1.405 13.847 0.011 1.00 0.00 H new ATOM 0 HA SER A 137 3.109 14.578 -2.258 1.00 0.00 H new ATOM 0 HB2 SER A 137 1.067 15.896 -0.522 1.00 0.00 H new ATOM 0 HB3 SER A 137 2.395 16.918 -1.034 1.00 0.00 H new ATOM 0 HG SER A 137 0.909 17.068 -2.663 1.00 0.00 H new ATOM 179 N LYS A 138 3.875 15.019 0.912 1.00 0.00 N ATOM 180 CA LYS A 138 4.975 15.305 1.824 1.00 0.00 C ATOM 181 C LYS A 138 5.537 14.018 2.423 1.00 0.00 C ATOM 182 O LYS A 138 5.848 13.959 3.613 1.00 0.00 O ATOM 183 CB LYS A 138 4.510 16.242 2.941 1.00 0.00 C ATOM 184 CG LYS A 138 5.531 17.305 3.309 1.00 0.00 C ATOM 185 CD LYS A 138 5.510 17.609 4.798 1.00 0.00 C ATOM 186 CE LYS A 138 5.638 19.100 5.065 1.00 0.00 C ATOM 187 NZ LYS A 138 4.454 19.857 4.569 1.00 0.00 N ATOM 0 H LYS A 138 3.011 14.730 1.370 1.00 0.00 H new ATOM 0 HA LYS A 138 5.766 15.794 1.255 1.00 0.00 H new ATOM 0 HB2 LYS A 138 3.585 16.730 2.633 1.00 0.00 H new ATOM 0 HB3 LYS A 138 4.279 15.651 3.827 1.00 0.00 H new ATOM 0 HG2 LYS A 138 6.527 16.970 3.020 1.00 0.00 H new ATOM 0 HG3 LYS A 138 5.326 18.217 2.748 1.00 0.00 H new ATOM 0 HD2 LYS A 138 4.581 17.239 5.233 1.00 0.00 H new ATOM 0 HD3 LYS A 138 6.326 17.079 5.290 1.00 0.00 H new ATOM 0 HE2 LYS A 138 5.754 19.268 6.136 1.00 0.00 H new ATOM 0 HE3 LYS A 138 6.539 19.479 4.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 4.367 20.749 5.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 4.573 20.063 3.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 3.595 19.288 4.708 1.00 0.00 H new ATOM 201 N VAL A 139 5.666 12.990 1.590 1.00 0.00 N ATOM 202 CA VAL A 139 6.190 11.705 2.035 1.00 0.00 C ATOM 203 C VAL A 139 7.656 11.551 1.650 1.00 0.00 C ATOM 204 O VAL A 139 8.247 12.444 1.041 1.00 0.00 O ATOM 205 CB VAL A 139 5.386 10.533 1.443 1.00 0.00 C ATOM 206 CG1 VAL A 139 4.045 10.395 2.146 1.00 0.00 C ATOM 207 CG2 VAL A 139 5.196 10.718 -0.054 1.00 0.00 C ATOM 0 H VAL A 139 5.414 13.023 0.602 1.00 0.00 H new ATOM 0 HA VAL A 139 6.097 11.683 3.121 1.00 0.00 H new ATOM 0 HB VAL A 139 5.949 9.613 1.603 1.00 0.00 H new ATOM 0 HG11 VAL A 139 3.492 9.561 1.714 1.00 0.00 H new ATOM 0 HG12 VAL A 139 4.208 10.210 3.208 1.00 0.00 H new ATOM 0 HG13 VAL A 139 3.473 11.314 2.021 1.00 0.00 H new ATOM 0 HG21 VAL A 139 4.626 9.880 -0.455 1.00 0.00 H new ATOM 0 HG22 VAL A 139 4.656 11.646 -0.240 1.00 0.00 H new ATOM 0 HG23 VAL A 139 6.170 10.760 -0.542 1.00 0.00 H new ATOM 217 N LYS A 140 8.242 10.411 2.006 1.00 0.00 N ATOM 218 CA LYS A 140 9.642 10.143 1.696 1.00 0.00 C ATOM 219 C LYS A 140 9.845 9.972 0.193 1.00 0.00 C ATOM 220 O LYS A 140 10.237 10.910 -0.501 1.00 0.00 O ATOM 221 CB LYS A 140 10.123 8.896 2.446 1.00 0.00 C ATOM 222 CG LYS A 140 11.068 9.205 3.595 1.00 0.00 C ATOM 223 CD LYS A 140 12.513 8.904 3.227 1.00 0.00 C ATOM 224 CE LYS A 140 13.456 9.981 3.741 1.00 0.00 C ATOM 225 NZ LYS A 140 14.706 9.404 4.306 1.00 0.00 N ATOM 0 H LYS A 140 7.770 9.660 2.509 1.00 0.00 H new ATOM 0 HA LYS A 140 10.233 10.999 2.022 1.00 0.00 H new ATOM 0 HB2 LYS A 140 9.257 8.358 2.833 1.00 0.00 H new ATOM 0 HB3 LYS A 140 10.624 8.230 1.743 1.00 0.00 H new ATOM 0 HG2 LYS A 140 10.974 10.255 3.872 1.00 0.00 H new ATOM 0 HG3 LYS A 140 10.784 8.618 4.468 1.00 0.00 H new ATOM 0 HD2 LYS A 140 12.801 7.938 3.642 1.00 0.00 H new ATOM 0 HD3 LYS A 140 12.605 8.826 2.144 1.00 0.00 H new ATOM 0 HE2 LYS A 140 13.706 10.662 2.928 1.00 0.00 H new ATOM 0 HE3 LYS A 140 12.951 10.570 4.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 15.321 10.172 4.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 14.470 8.774 5.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 15.202 8.863 3.570 1.00 0.00 H new ATOM 239 N ASP A 141 9.577 8.770 -0.304 1.00 0.00 N ATOM 240 CA ASP A 141 9.731 8.473 -1.726 1.00 0.00 C ATOM 241 C ASP A 141 9.395 7.014 -2.017 1.00 0.00 C ATOM 242 O ASP A 141 8.707 6.708 -2.990 1.00 0.00 O ATOM 243 CB ASP A 141 11.159 8.779 -2.184 1.00 0.00 C ATOM 244 CG ASP A 141 11.199 9.446 -3.546 1.00 0.00 C ATOM 245 OD1 ASP A 141 10.366 10.343 -3.793 1.00 0.00 O ATOM 246 OD2 ASP A 141 12.063 9.069 -4.365 1.00 0.00 O ATOM 0 H ASP A 141 9.251 7.983 0.257 1.00 0.00 H new ATOM 0 HA ASP A 141 9.037 9.106 -2.279 1.00 0.00 H new ATOM 0 HB2 ASP A 141 11.642 9.426 -1.451 1.00 0.00 H new ATOM 0 HB3 ASP A 141 11.733 7.853 -2.219 1.00 0.00 H new ATOM 251 N TYR A 142 9.886 6.119 -1.166 1.00 0.00 N ATOM 252 CA TYR A 142 9.640 4.690 -1.332 1.00 0.00 C ATOM 253 C TYR A 142 8.145 4.392 -1.371 1.00 0.00 C ATOM 254 O TYR A 142 7.708 3.431 -2.008 1.00 0.00 O ATOM 255 CB TYR A 142 10.297 3.906 -0.195 1.00 0.00 C ATOM 256 CG TYR A 142 10.171 2.405 -0.339 1.00 0.00 C ATOM 257 CD1 TYR A 142 8.952 1.769 -0.147 1.00 0.00 C ATOM 258 CD2 TYR A 142 11.273 1.625 -0.665 1.00 0.00 C ATOM 259 CE1 TYR A 142 8.833 0.399 -0.278 1.00 0.00 C ATOM 260 CE2 TYR A 142 11.164 0.254 -0.797 1.00 0.00 C ATOM 261 CZ TYR A 142 9.941 -0.354 -0.602 1.00 0.00 C ATOM 262 OH TYR A 142 9.828 -1.719 -0.733 1.00 0.00 O ATOM 0 H TYR A 142 10.456 6.357 -0.355 1.00 0.00 H new ATOM 0 HA TYR A 142 10.077 4.380 -2.282 1.00 0.00 H new ATOM 0 HB2 TYR A 142 11.353 4.170 -0.147 1.00 0.00 H new ATOM 0 HB3 TYR A 142 9.849 4.210 0.751 1.00 0.00 H new ATOM 0 HD1 TYR A 142 8.082 2.355 0.109 1.00 0.00 H new ATOM 0 HD2 TYR A 142 12.232 2.098 -0.818 1.00 0.00 H new ATOM 0 HE1 TYR A 142 7.877 -0.080 -0.127 1.00 0.00 H new ATOM 0 HE2 TYR A 142 12.031 -0.338 -1.051 1.00 0.00 H new ATOM 0 HH TYR A 142 9.863 -1.961 -1.682 1.00 0.00 H new ATOM 272 N HIS A 143 7.361 5.220 -0.687 1.00 0.00 N ATOM 273 CA HIS A 143 5.914 5.045 -0.644 1.00 0.00 C ATOM 274 C HIS A 143 5.235 5.824 -1.767 1.00 0.00 C ATOM 275 O HIS A 143 4.166 5.440 -2.242 1.00 0.00 O ATOM 276 CB HIS A 143 5.366 5.497 0.710 1.00 0.00 C ATOM 277 CG HIS A 143 5.824 4.648 1.855 1.00 0.00 C ATOM 278 ND1 HIS A 143 5.847 3.303 2.008 1.00 0.00 N flip ATOM 279 CD2 HIS A 143 6.333 5.173 3.025 1.00 0.00 C flip ATOM 280 CE1 HIS A 143 6.365 3.043 3.252 1.00 0.00 C flip ATOM 281 NE2 HIS A 143 6.651 4.187 3.845 1.00 0.00 N flip ATOM 0 H HIS A 143 7.704 6.019 -0.155 1.00 0.00 H new ATOM 0 HA HIS A 143 5.698 3.986 -0.781 1.00 0.00 H new ATOM 0 HB2 HIS A 143 5.669 6.529 0.889 1.00 0.00 H new ATOM 0 HB3 HIS A 143 4.277 5.487 0.674 1.00 0.00 H new ATOM 0 HD2 HIS A 143 6.453 6.225 3.237 1.00 0.00 H new ATOM 0 HE1 HIS A 143 6.514 2.061 3.677 1.00 0.00 H new ATOM 0 HE2 HIS A 143 7.050 4.292 4.778 1.00 0.00 H new ATOM 289 N ARG A 144 5.861 6.921 -2.185 1.00 0.00 N ATOM 290 CA ARG A 144 5.315 7.753 -3.250 1.00 0.00 C ATOM 291 C ARG A 144 5.383 7.035 -4.594 1.00 0.00 C ATOM 292 O ARG A 144 4.506 7.202 -5.444 1.00 0.00 O ATOM 293 CB ARG A 144 6.076 9.078 -3.329 1.00 0.00 C ATOM 294 CG ARG A 144 5.551 10.019 -4.401 1.00 0.00 C ATOM 295 CD ARG A 144 6.262 9.805 -5.728 1.00 0.00 C ATOM 296 NE ARG A 144 6.140 10.965 -6.607 1.00 0.00 N ATOM 297 CZ ARG A 144 6.354 10.925 -7.921 1.00 0.00 C ATOM 298 NH1 ARG A 144 6.699 9.786 -8.509 1.00 0.00 N ATOM 299 NH2 ARG A 144 6.222 12.025 -8.648 1.00 0.00 N ATOM 0 H ARG A 144 6.746 7.253 -1.802 1.00 0.00 H new ATOM 0 HA ARG A 144 4.269 7.953 -3.019 1.00 0.00 H new ATOM 0 HB2 ARG A 144 6.022 9.577 -2.361 1.00 0.00 H new ATOM 0 HB3 ARG A 144 7.129 8.872 -3.522 1.00 0.00 H new ATOM 0 HG2 ARG A 144 4.480 9.862 -4.531 1.00 0.00 H new ATOM 0 HG3 ARG A 144 5.685 11.051 -4.078 1.00 0.00 H new ATOM 0 HD2 ARG A 144 7.316 9.598 -5.545 1.00 0.00 H new ATOM 0 HD3 ARG A 144 5.846 8.928 -6.225 1.00 0.00 H new ATOM 0 HE ARG A 144 5.876 11.858 -6.190 1.00 0.00 H new ATOM 0 HH11 ARG A 144 6.801 8.936 -7.954 1.00 0.00 H new ATOM 0 HH12 ARG A 144 6.862 9.761 -9.516 1.00 0.00 H new ATOM 0 HH21 ARG A 144 5.956 12.903 -8.201 1.00 0.00 H new ATOM 0 HH22 ARG A 144 6.386 11.994 -9.654 1.00 0.00 H new ATOM 313 N ARG A 145 6.431 6.240 -4.783 1.00 0.00 N ATOM 314 CA ARG A 145 6.615 5.500 -6.027 1.00 0.00 C ATOM 315 C ARG A 145 5.721 4.263 -6.065 1.00 0.00 C ATOM 316 O ARG A 145 5.291 3.830 -7.135 1.00 0.00 O ATOM 317 CB ARG A 145 8.079 5.090 -6.188 1.00 0.00 C ATOM 318 CG ARG A 145 8.543 5.048 -7.636 1.00 0.00 C ATOM 319 CD ARG A 145 9.783 5.901 -7.853 1.00 0.00 C ATOM 320 NE ARG A 145 10.768 5.228 -8.696 1.00 0.00 N ATOM 321 CZ ARG A 145 12.032 5.628 -8.824 1.00 0.00 C ATOM 322 NH1 ARG A 145 12.466 6.698 -8.168 1.00 0.00 N ATOM 323 NH2 ARG A 145 12.863 4.958 -9.610 1.00 0.00 N ATOM 0 H ARG A 145 7.166 6.091 -4.091 1.00 0.00 H new ATOM 0 HA ARG A 145 6.334 6.153 -6.853 1.00 0.00 H new ATOM 0 HB2 ARG A 145 8.706 5.788 -5.634 1.00 0.00 H new ATOM 0 HB3 ARG A 145 8.224 4.107 -5.740 1.00 0.00 H new ATOM 0 HG2 ARG A 145 8.756 4.017 -7.920 1.00 0.00 H new ATOM 0 HG3 ARG A 145 7.741 5.399 -8.286 1.00 0.00 H new ATOM 0 HD2 ARG A 145 9.497 6.847 -8.314 1.00 0.00 H new ATOM 0 HD3 ARG A 145 10.233 6.139 -6.889 1.00 0.00 H new ATOM 0 HE ARG A 145 10.470 4.403 -9.217 1.00 0.00 H new ATOM 0 HH11 ARG A 145 11.830 7.218 -7.563 1.00 0.00 H new ATOM 0 HH12 ARG A 145 13.435 7.000 -8.269 1.00 0.00 H new ATOM 0 HH21 ARG A 145 12.534 4.136 -10.117 1.00 0.00 H new ATOM 0 HH22 ARG A 145 13.831 5.264 -9.708 1.00 0.00 H new ATOM 337 N HIS A 146 5.446 3.700 -4.895 1.00 0.00 N ATOM 338 CA HIS A 146 4.604 2.511 -4.798 1.00 0.00 C ATOM 339 C HIS A 146 3.120 2.877 -4.809 1.00 0.00 C ATOM 340 O HIS A 146 2.263 2.004 -4.934 1.00 0.00 O ATOM 341 CB HIS A 146 4.937 1.731 -3.524 1.00 0.00 C ATOM 342 CG HIS A 146 6.030 0.724 -3.710 1.00 0.00 C ATOM 343 ND1 HIS A 146 7.222 0.582 -3.083 1.00 0.00 N flip ATOM 344 CD2 HIS A 146 5.964 -0.298 -4.636 1.00 0.00 C flip ATOM 345 CE1 HIS A 146 7.846 -0.508 -3.636 1.00 0.00 C flip ATOM 346 NE2 HIS A 146 7.067 -1.022 -4.569 1.00 0.00 N flip ATOM 0 H HIS A 146 5.793 4.046 -4.000 1.00 0.00 H new ATOM 0 HA HIS A 146 4.807 1.887 -5.668 1.00 0.00 H new ATOM 0 HB2 HIS A 146 5.229 2.433 -2.743 1.00 0.00 H new ATOM 0 HB3 HIS A 146 4.039 1.221 -3.174 1.00 0.00 H new ATOM 0 HD1 HIS A 146 7.588 1.175 -2.338 1.00 0.00 H new ATOM 0 HD2 HIS A 146 5.139 -0.478 -5.310 1.00 0.00 H new ATOM 0 HE1 HIS A 146 8.818 -0.884 -3.353 1.00 0.00 H new ATOM 354 N LYS A 147 2.821 4.167 -4.678 1.00 0.00 N ATOM 355 CA LYS A 147 1.438 4.633 -4.675 1.00 0.00 C ATOM 356 C LYS A 147 0.676 4.060 -3.481 1.00 0.00 C ATOM 357 O LYS A 147 -0.435 3.550 -3.626 1.00 0.00 O ATOM 358 CB LYS A 147 0.742 4.244 -5.982 1.00 0.00 C ATOM 359 CG LYS A 147 0.796 5.328 -7.046 1.00 0.00 C ATOM 360 CD LYS A 147 0.529 4.760 -8.433 1.00 0.00 C ATOM 361 CE LYS A 147 -0.335 5.697 -9.263 1.00 0.00 C ATOM 362 NZ LYS A 147 -0.967 4.994 -10.415 1.00 0.00 N ATOM 0 H LYS A 147 3.516 4.906 -4.573 1.00 0.00 H new ATOM 0 HA LYS A 147 1.444 5.720 -4.590 1.00 0.00 H new ATOM 0 HB2 LYS A 147 1.204 3.338 -6.374 1.00 0.00 H new ATOM 0 HB3 LYS A 147 -0.300 4.005 -5.772 1.00 0.00 H new ATOM 0 HG2 LYS A 147 0.060 6.099 -6.819 1.00 0.00 H new ATOM 0 HG3 LYS A 147 1.775 5.807 -7.030 1.00 0.00 H new ATOM 0 HD2 LYS A 147 1.476 4.587 -8.945 1.00 0.00 H new ATOM 0 HD3 LYS A 147 0.035 3.793 -8.342 1.00 0.00 H new ATOM 0 HE2 LYS A 147 -1.111 6.130 -8.632 1.00 0.00 H new ATOM 0 HE3 LYS A 147 0.274 6.522 -9.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 -1.548 5.666 -10.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 -0.226 4.602 -11.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 -1.569 4.222 -10.063 1.00 0.00 H new ATOM 376 N VAL A 148 1.283 4.150 -2.303 1.00 0.00 N ATOM 377 CA VAL A 148 0.666 3.644 -1.083 1.00 0.00 C ATOM 378 C VAL A 148 1.126 4.441 0.134 1.00 0.00 C ATOM 379 O VAL A 148 2.168 5.096 0.099 1.00 0.00 O ATOM 380 CB VAL A 148 0.989 2.152 -0.868 1.00 0.00 C ATOM 381 CG1 VAL A 148 2.487 1.943 -0.700 1.00 0.00 C ATOM 382 CG2 VAL A 148 0.227 1.604 0.331 1.00 0.00 C ATOM 0 H VAL A 148 2.203 4.569 -2.167 1.00 0.00 H new ATOM 0 HA VAL A 148 -0.412 3.757 -1.199 1.00 0.00 H new ATOM 0 HB VAL A 148 0.669 1.603 -1.753 1.00 0.00 H new ATOM 0 HG11 VAL A 148 2.692 0.883 -0.550 1.00 0.00 H new ATOM 0 HG12 VAL A 148 3.005 2.289 -1.594 1.00 0.00 H new ATOM 0 HG13 VAL A 148 2.838 2.507 0.164 1.00 0.00 H new ATOM 0 HG21 VAL A 148 0.469 0.550 0.465 1.00 0.00 H new ATOM 0 HG22 VAL A 148 0.510 2.158 1.226 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -0.844 1.711 0.161 1.00 0.00 H new ATOM 392 N CYS A 149 0.346 4.383 1.207 1.00 0.00 N ATOM 393 CA CYS A 149 0.678 5.103 2.431 1.00 0.00 C ATOM 394 C CYS A 149 1.518 4.235 3.364 1.00 0.00 C ATOM 395 O CYS A 149 1.989 3.166 2.976 1.00 0.00 O ATOM 396 CB CYS A 149 -0.598 5.563 3.142 1.00 0.00 C ATOM 397 SG CYS A 149 -1.577 4.223 3.862 1.00 0.00 S ATOM 0 H CYS A 149 -0.520 3.846 1.255 1.00 0.00 H new ATOM 0 HA CYS A 149 1.265 5.980 2.159 1.00 0.00 H new ATOM 0 HB2 CYS A 149 -0.327 6.263 3.932 1.00 0.00 H new ATOM 0 HB3 CYS A 149 -1.219 6.109 2.431 1.00 0.00 H new ATOM 0 HG CYS A 149 -2.631 4.718 4.440 1.00 0.00 H new ATOM 402 N GLU A 150 1.705 4.701 4.594 1.00 0.00 N ATOM 403 CA GLU A 150 2.489 3.967 5.580 1.00 0.00 C ATOM 404 C GLU A 150 1.661 2.858 6.222 1.00 0.00 C ATOM 405 O GLU A 150 2.193 1.818 6.610 1.00 0.00 O ATOM 406 CB GLU A 150 3.011 4.919 6.657 1.00 0.00 C ATOM 407 CG GLU A 150 4.339 5.568 6.306 1.00 0.00 C ATOM 408 CD GLU A 150 5.499 4.984 7.087 1.00 0.00 C ATOM 409 OE1 GLU A 150 5.453 3.775 7.404 1.00 0.00 O ATOM 410 OE2 GLU A 150 6.453 5.733 7.383 1.00 0.00 O ATOM 0 H GLU A 150 1.324 5.585 4.932 1.00 0.00 H new ATOM 0 HA GLU A 150 3.335 3.510 5.066 1.00 0.00 H new ATOM 0 HB2 GLU A 150 2.270 5.699 6.830 1.00 0.00 H new ATOM 0 HB3 GLU A 150 3.121 4.370 7.592 1.00 0.00 H new ATOM 0 HG2 GLU A 150 4.527 5.447 5.239 1.00 0.00 H new ATOM 0 HG3 GLU A 150 4.278 6.639 6.500 1.00 0.00 H new ATOM 417 N ILE A 151 0.358 3.087 6.328 1.00 0.00 N ATOM 418 CA ILE A 151 -0.545 2.109 6.922 1.00 0.00 C ATOM 419 C ILE A 151 -0.527 0.798 6.141 1.00 0.00 C ATOM 420 O ILE A 151 -0.032 -0.220 6.627 1.00 0.00 O ATOM 421 CB ILE A 151 -1.991 2.643 6.981 1.00 0.00 C ATOM 422 CG1 ILE A 151 -2.026 4.011 7.668 1.00 0.00 C ATOM 423 CG2 ILE A 151 -2.895 1.657 7.706 1.00 0.00 C ATOM 424 CD1 ILE A 151 -1.430 4.004 9.059 1.00 0.00 C ATOM 0 H ILE A 151 -0.098 3.942 6.010 1.00 0.00 H new ATOM 0 HA ILE A 151 -0.192 1.927 7.937 1.00 0.00 H new ATOM 0 HB ILE A 151 -2.359 2.759 5.962 1.00 0.00 H new ATOM 0 HG12 ILE A 151 -1.486 4.731 7.054 1.00 0.00 H new ATOM 0 HG13 ILE A 151 -3.059 4.353 7.726 1.00 0.00 H new ATOM 0 HG21 ILE A 151 -3.911 2.051 7.738 1.00 0.00 H new ATOM 0 HG22 ILE A 151 -2.892 0.704 7.177 1.00 0.00 H new ATOM 0 HG23 ILE A 151 -2.531 1.509 8.723 1.00 0.00 H new ATOM 0 HD11 ILE A 151 -1.489 5.006 9.485 1.00 0.00 H new ATOM 0 HD12 ILE A 151 -1.985 3.309 9.689 1.00 0.00 H new ATOM 0 HD13 ILE A 151 -0.387 3.693 9.006 1.00 0.00 H new ATOM 436 N HIS A 152 -1.070 0.829 4.928 1.00 0.00 N ATOM 437 CA HIS A 152 -1.117 -0.357 4.079 1.00 0.00 C ATOM 438 C HIS A 152 0.286 -0.884 3.790 1.00 0.00 C ATOM 439 O HIS A 152 0.461 -2.058 3.465 1.00 0.00 O ATOM 440 CB HIS A 152 -1.835 -0.039 2.767 1.00 0.00 C ATOM 441 CG HIS A 152 -3.300 0.220 2.935 1.00 0.00 C ATOM 442 ND1 HIS A 152 -3.863 1.472 2.815 1.00 0.00 N ATOM 443 CD2 HIS A 152 -4.323 -0.623 3.219 1.00 0.00 C ATOM 444 CE1 HIS A 152 -5.165 1.391 3.018 1.00 0.00 C ATOM 445 NE2 HIS A 152 -5.470 0.131 3.264 1.00 0.00 N ATOM 0 H HIS A 152 -1.484 1.663 4.511 1.00 0.00 H new ATOM 0 HA HIS A 152 -1.669 -1.131 4.612 1.00 0.00 H new ATOM 0 HB2 HIS A 152 -1.370 0.834 2.310 1.00 0.00 H new ATOM 0 HB3 HIS A 152 -1.698 -0.871 2.076 1.00 0.00 H new ATOM 0 HD2 HIS A 152 -4.250 -1.688 3.380 1.00 0.00 H new ATOM 0 HE1 HIS A 152 -5.862 2.216 2.988 1.00 0.00 H new ATOM 0 HE2 HIS A 152 -6.406 -0.225 3.456 1.00 0.00 H new ATOM 452 N SER A 153 1.284 -0.012 3.908 1.00 0.00 N ATOM 453 CA SER A 153 2.669 -0.396 3.655 1.00 0.00 C ATOM 454 C SER A 153 3.069 -1.598 4.505 1.00 0.00 C ATOM 455 O SER A 153 3.800 -2.479 4.051 1.00 0.00 O ATOM 456 CB SER A 153 3.607 0.781 3.936 1.00 0.00 C ATOM 457 OG SER A 153 4.341 1.137 2.777 1.00 0.00 O ATOM 0 H SER A 153 1.159 0.964 4.177 1.00 0.00 H new ATOM 0 HA SER A 153 2.754 -0.676 2.605 1.00 0.00 H new ATOM 0 HB2 SER A 153 3.028 1.638 4.280 1.00 0.00 H new ATOM 0 HB3 SER A 153 4.295 0.518 4.739 1.00 0.00 H new ATOM 0 HG SER A 153 4.257 2.101 2.620 1.00 0.00 H new ATOM 463 N LYS A 154 2.582 -1.627 5.741 1.00 0.00 N ATOM 464 CA LYS A 154 2.886 -2.721 6.657 1.00 0.00 C ATOM 465 C LYS A 154 1.639 -3.550 6.959 1.00 0.00 C ATOM 466 O LYS A 154 1.737 -4.705 7.373 1.00 0.00 O ATOM 467 CB LYS A 154 3.478 -2.174 7.957 1.00 0.00 C ATOM 468 CG LYS A 154 4.995 -2.255 8.014 1.00 0.00 C ATOM 469 CD LYS A 154 5.460 -3.445 8.838 1.00 0.00 C ATOM 470 CE LYS A 154 5.017 -4.760 8.217 1.00 0.00 C ATOM 471 NZ LYS A 154 5.969 -5.865 8.517 1.00 0.00 N ATOM 0 H LYS A 154 1.975 -0.906 6.132 1.00 0.00 H new ATOM 0 HA LYS A 154 3.618 -3.369 6.175 1.00 0.00 H new ATOM 0 HB2 LYS A 154 3.173 -1.134 8.077 1.00 0.00 H new ATOM 0 HB3 LYS A 154 3.061 -2.728 8.798 1.00 0.00 H new ATOM 0 HG2 LYS A 154 5.394 -2.333 7.003 1.00 0.00 H new ATOM 0 HG3 LYS A 154 5.393 -1.336 8.444 1.00 0.00 H new ATOM 0 HD2 LYS A 154 6.547 -3.429 8.921 1.00 0.00 H new ATOM 0 HD3 LYS A 154 5.061 -3.367 9.849 1.00 0.00 H new ATOM 0 HE2 LYS A 154 4.027 -5.022 8.590 1.00 0.00 H new ATOM 0 HE3 LYS A 154 4.929 -4.640 7.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 5.631 -6.744 8.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 6.908 -5.627 8.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 6.034 -5.997 9.547 1.00 0.00 H new ATOM 485 N ALA A 155 0.466 -2.955 6.753 1.00 0.00 N ATOM 486 CA ALA A 155 -0.797 -3.641 7.005 1.00 0.00 C ATOM 487 C ALA A 155 -0.856 -4.979 6.272 1.00 0.00 C ATOM 488 O ALA A 155 -0.075 -5.230 5.355 1.00 0.00 O ATOM 489 CB ALA A 155 -1.967 -2.762 6.594 1.00 0.00 C ATOM 0 H ALA A 155 0.365 -1.999 6.412 1.00 0.00 H new ATOM 0 HA ALA A 155 -0.863 -3.840 8.075 1.00 0.00 H new ATOM 0 HB1 ALA A 155 -2.902 -3.287 6.788 1.00 0.00 H new ATOM 0 HB2 ALA A 155 -1.945 -1.836 7.168 1.00 0.00 H new ATOM 0 HB3 ALA A 155 -1.894 -2.532 5.531 1.00 0.00 H new ATOM 495 N THR A 156 -1.786 -5.832 6.685 1.00 0.00 N ATOM 496 CA THR A 156 -1.947 -7.143 6.070 1.00 0.00 C ATOM 497 C THR A 156 -3.042 -7.123 5.010 1.00 0.00 C ATOM 498 O THR A 156 -2.812 -7.491 3.858 1.00 0.00 O ATOM 499 CB THR A 156 -2.286 -8.218 7.121 1.00 0.00 C ATOM 500 OG1 THR A 156 -1.718 -7.863 8.387 1.00 0.00 O ATOM 501 CG2 THR A 156 -1.763 -9.580 6.689 1.00 0.00 C ATOM 0 H THR A 156 -2.440 -5.639 7.443 1.00 0.00 H new ATOM 0 HA THR A 156 -0.995 -7.391 5.600 1.00 0.00 H new ATOM 0 HB THR A 156 -3.371 -8.275 7.214 1.00 0.00 H new ATOM 0 HG1 THR A 156 -1.940 -8.550 9.049 1.00 0.00 H new ATOM 0 HG21 THR A 156 -2.014 -10.323 7.446 1.00 0.00 H new ATOM 0 HG22 THR A 156 -2.220 -9.861 5.740 1.00 0.00 H new ATOM 0 HG23 THR A 156 -0.680 -9.533 6.571 1.00 0.00 H new ATOM 509 N THR A 157 -4.235 -6.692 5.408 1.00 0.00 N ATOM 510 CA THR A 157 -5.367 -6.625 4.493 1.00 0.00 C ATOM 511 C THR A 157 -5.499 -5.234 3.883 1.00 0.00 C ATOM 512 O THR A 157 -5.449 -4.228 4.591 1.00 0.00 O ATOM 513 CB THR A 157 -6.684 -6.990 5.202 1.00 0.00 C ATOM 514 OG1 THR A 157 -6.674 -6.490 6.544 1.00 0.00 O ATOM 515 CG2 THR A 157 -6.890 -8.497 5.220 1.00 0.00 C ATOM 0 H THR A 157 -4.442 -6.384 6.358 1.00 0.00 H new ATOM 0 HA THR A 157 -5.177 -7.349 3.701 1.00 0.00 H new ATOM 0 HB THR A 157 -7.505 -6.533 4.650 1.00 0.00 H new ATOM 0 HG1 THR A 157 -7.516 -6.725 6.987 1.00 0.00 H new ATOM 0 HG21 THR A 157 -7.827 -8.730 5.726 1.00 0.00 H new ATOM 0 HG22 THR A 157 -6.927 -8.871 4.197 1.00 0.00 H new ATOM 0 HG23 THR A 157 -6.064 -8.971 5.750 1.00 0.00 H new ATOM 523 N ALA A 158 -5.666 -5.185 2.567 1.00 0.00 N ATOM 524 CA ALA A 158 -5.806 -3.918 1.861 1.00 0.00 C ATOM 525 C ALA A 158 -6.733 -4.058 0.658 1.00 0.00 C ATOM 526 O ALA A 158 -6.556 -4.948 -0.173 1.00 0.00 O ATOM 527 CB ALA A 158 -4.442 -3.407 1.420 1.00 0.00 C ATOM 0 H ALA A 158 -5.708 -6.009 1.967 1.00 0.00 H new ATOM 0 HA ALA A 158 -6.250 -3.196 2.547 1.00 0.00 H new ATOM 0 HB1 ALA A 158 -4.561 -2.460 0.894 1.00 0.00 H new ATOM 0 HB2 ALA A 158 -3.809 -3.259 2.295 1.00 0.00 H new ATOM 0 HB3 ALA A 158 -3.978 -4.136 0.755 1.00 0.00 H new ATOM 533 N LEU A 159 -7.722 -3.172 0.573 1.00 0.00 N ATOM 534 CA LEU A 159 -8.676 -3.199 -0.528 1.00 0.00 C ATOM 535 C LEU A 159 -8.184 -2.350 -1.696 1.00 0.00 C ATOM 536 O LEU A 159 -8.497 -1.163 -1.789 1.00 0.00 O ATOM 537 CB LEU A 159 -10.043 -2.700 -0.060 1.00 0.00 C ATOM 538 CG LEU A 159 -11.234 -3.217 -0.868 1.00 0.00 C ATOM 539 CD1 LEU A 159 -11.069 -2.874 -2.340 1.00 0.00 C ATOM 540 CD2 LEU A 159 -11.392 -4.718 -0.682 1.00 0.00 C ATOM 0 H LEU A 159 -7.882 -2.429 1.253 1.00 0.00 H new ATOM 0 HA LEU A 159 -8.771 -4.231 -0.867 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -10.180 -2.986 0.983 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -10.046 -1.611 -0.094 1.00 0.00 H new ATOM 0 HG LEU A 159 -12.137 -2.729 -0.502 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -11.926 -3.250 -2.899 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -11.006 -1.792 -2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -10.157 -3.334 -2.721 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -12.244 -5.069 -1.264 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -10.488 -5.224 -1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -11.557 -4.939 0.373 1.00 0.00 H new ATOM 552 N VAL A 160 -7.411 -2.967 -2.585 1.00 0.00 N ATOM 553 CA VAL A 160 -6.876 -2.270 -3.747 1.00 0.00 C ATOM 554 C VAL A 160 -7.443 -2.846 -5.041 1.00 0.00 C ATOM 555 O VAL A 160 -7.188 -4.001 -5.380 1.00 0.00 O ATOM 556 CB VAL A 160 -5.337 -2.352 -3.793 1.00 0.00 C ATOM 557 CG1 VAL A 160 -4.789 -1.489 -4.920 1.00 0.00 C ATOM 558 CG2 VAL A 160 -4.739 -1.941 -2.457 1.00 0.00 C ATOM 0 H VAL A 160 -7.142 -3.949 -2.522 1.00 0.00 H new ATOM 0 HA VAL A 160 -7.174 -1.226 -3.655 1.00 0.00 H new ATOM 0 HB VAL A 160 -5.053 -3.386 -3.988 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -3.701 -1.560 -4.937 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -5.190 -1.837 -5.872 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -5.083 -0.452 -4.760 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -3.652 -2.006 -2.510 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -5.031 -0.916 -2.228 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -5.104 -2.606 -1.675 1.00 0.00 H new ATOM 568 N GLY A 161 -8.211 -2.034 -5.758 1.00 0.00 N ATOM 569 CA GLY A 161 -8.803 -2.481 -7.005 1.00 0.00 C ATOM 570 C GLY A 161 -10.165 -3.113 -6.809 1.00 0.00 C ATOM 571 O GLY A 161 -11.128 -2.754 -7.490 1.00 0.00 O ATOM 0 H GLY A 161 -8.434 -1.073 -5.498 1.00 0.00 H new ATOM 0 HA2 GLY A 161 -8.894 -1.633 -7.684 1.00 0.00 H new ATOM 0 HA3 GLY A 161 -8.138 -3.201 -7.481 1.00 0.00 H new ATOM 575 N GLY A 162 -10.251 -4.054 -5.874 1.00 0.00 N ATOM 576 CA GLY A 162 -11.512 -4.721 -5.606 1.00 0.00 C ATOM 577 C GLY A 162 -11.359 -5.888 -4.652 1.00 0.00 C ATOM 578 O GLY A 162 -12.257 -6.172 -3.860 1.00 0.00 O ATOM 0 H GLY A 162 -9.470 -4.367 -5.297 1.00 0.00 H new ATOM 0 HA2 GLY A 162 -12.217 -4.003 -5.187 1.00 0.00 H new ATOM 0 HA3 GLY A 162 -11.938 -5.076 -6.544 1.00 0.00 H new ATOM 582 N ILE A 163 -10.219 -6.566 -4.726 1.00 0.00 N ATOM 583 CA ILE A 163 -9.950 -7.709 -3.863 1.00 0.00 C ATOM 584 C ILE A 163 -8.852 -7.387 -2.854 1.00 0.00 C ATOM 585 O ILE A 163 -7.999 -6.535 -3.103 1.00 0.00 O ATOM 586 CB ILE A 163 -9.533 -8.946 -4.680 1.00 0.00 C ATOM 587 CG1 ILE A 163 -10.502 -9.168 -5.843 1.00 0.00 C ATOM 588 CG2 ILE A 163 -9.477 -10.177 -3.786 1.00 0.00 C ATOM 589 CD1 ILE A 163 -9.973 -10.118 -6.896 1.00 0.00 C ATOM 0 H ILE A 163 -9.465 -6.343 -5.376 1.00 0.00 H new ATOM 0 HA ILE A 163 -10.876 -7.930 -3.333 1.00 0.00 H new ATOM 0 HB ILE A 163 -8.538 -8.773 -5.090 1.00 0.00 H new ATOM 0 HG12 ILE A 163 -11.442 -9.558 -5.453 1.00 0.00 H new ATOM 0 HG13 ILE A 163 -10.724 -8.208 -6.309 1.00 0.00 H new ATOM 0 HG21 ILE A 163 -9.181 -11.043 -4.378 1.00 0.00 H new ATOM 0 HG22 ILE A 163 -8.750 -10.016 -2.990 1.00 0.00 H new ATOM 0 HG23 ILE A 163 -10.460 -10.355 -3.349 1.00 0.00 H new ATOM 0 HD11 ILE A 163 -10.711 -10.229 -7.690 1.00 0.00 H new ATOM 0 HD12 ILE A 163 -9.048 -9.720 -7.313 1.00 0.00 H new ATOM 0 HD13 ILE A 163 -9.778 -11.090 -6.444 1.00 0.00 H new ATOM 601 N MET A 164 -8.881 -8.074 -1.720 1.00 0.00 N ATOM 602 CA MET A 164 -7.887 -7.863 -0.673 1.00 0.00 C ATOM 603 C MET A 164 -6.530 -8.416 -1.095 1.00 0.00 C ATOM 604 O MET A 164 -6.450 -9.440 -1.772 1.00 0.00 O ATOM 605 CB MET A 164 -8.341 -8.523 0.629 1.00 0.00 C ATOM 606 CG MET A 164 -9.631 -7.944 1.188 1.00 0.00 C ATOM 607 SD MET A 164 -9.433 -7.268 2.849 1.00 0.00 S ATOM 608 CE MET A 164 -9.383 -5.513 2.496 1.00 0.00 C ATOM 0 H MET A 164 -9.581 -8.782 -1.500 1.00 0.00 H new ATOM 0 HA MET A 164 -7.786 -6.790 -0.510 1.00 0.00 H new ATOM 0 HB2 MET A 164 -8.476 -9.591 0.457 1.00 0.00 H new ATOM 0 HB3 MET A 164 -7.552 -8.418 1.374 1.00 0.00 H new ATOM 0 HG2 MET A 164 -9.990 -7.159 0.522 1.00 0.00 H new ATOM 0 HG3 MET A 164 -10.395 -8.721 1.206 1.00 0.00 H new ATOM 0 HE1 MET A 164 -8.620 -5.039 3.114 1.00 0.00 H new ATOM 0 HE2 MET A 164 -9.144 -5.360 1.444 1.00 0.00 H new ATOM 0 HE3 MET A 164 -10.354 -5.070 2.715 1.00 0.00 H new ATOM 618 N GLN A 165 -5.465 -7.732 -0.691 1.00 0.00 N ATOM 619 CA GLN A 165 -4.111 -8.156 -1.031 1.00 0.00 C ATOM 620 C GLN A 165 -3.112 -7.701 0.029 1.00 0.00 C ATOM 621 O GLN A 165 -3.473 -7.007 0.980 1.00 0.00 O ATOM 622 CB GLN A 165 -3.709 -7.602 -2.398 1.00 0.00 C ATOM 623 CG GLN A 165 -4.011 -6.122 -2.572 1.00 0.00 C ATOM 624 CD GLN A 165 -4.461 -5.782 -3.979 1.00 0.00 C ATOM 625 OE1 GLN A 165 -3.646 -5.458 -4.844 1.00 0.00 O ATOM 626 NE2 GLN A 165 -5.765 -5.853 -4.218 1.00 0.00 N ATOM 0 H GLN A 165 -5.513 -6.883 -0.128 1.00 0.00 H new ATOM 0 HA GLN A 165 -4.099 -9.245 -1.069 1.00 0.00 H new ATOM 0 HB2 GLN A 165 -2.642 -7.766 -2.547 1.00 0.00 H new ATOM 0 HB3 GLN A 165 -4.229 -8.163 -3.175 1.00 0.00 H new ATOM 0 HG2 GLN A 165 -4.787 -5.827 -1.865 1.00 0.00 H new ATOM 0 HG3 GLN A 165 -3.121 -5.542 -2.329 1.00 0.00 H new ATOM 0 HE21 GLN A 165 -6.406 -6.126 -3.473 1.00 0.00 H new ATOM 0 HE22 GLN A 165 -6.126 -5.635 -5.147 1.00 0.00 H new ATOM 635 N ARG A 166 -1.856 -8.095 -0.146 1.00 0.00 N ATOM 636 CA ARG A 166 -0.799 -7.728 0.791 1.00 0.00 C ATOM 637 C ARG A 166 0.294 -6.932 0.088 1.00 0.00 C ATOM 638 O ARG A 166 0.335 -6.867 -1.140 1.00 0.00 O ATOM 639 CB ARG A 166 -0.194 -8.980 1.430 1.00 0.00 C ATOM 640 CG ARG A 166 -1.168 -9.758 2.300 1.00 0.00 C ATOM 641 CD ARG A 166 -0.590 -11.103 2.712 1.00 0.00 C ATOM 642 NE ARG A 166 -0.841 -11.402 4.121 1.00 0.00 N ATOM 643 CZ ARG A 166 -0.061 -12.184 4.866 1.00 0.00 C ATOM 644 NH1 ARG A 166 1.021 -12.749 4.345 1.00 0.00 N ATOM 645 NH2 ARG A 166 -0.366 -12.404 6.138 1.00 0.00 N ATOM 0 H ARG A 166 -1.544 -8.669 -0.929 1.00 0.00 H new ATOM 0 HA ARG A 166 -1.240 -7.106 1.570 1.00 0.00 H new ATOM 0 HB2 ARG A 166 0.178 -9.635 0.642 1.00 0.00 H new ATOM 0 HB3 ARG A 166 0.665 -8.689 2.034 1.00 0.00 H new ATOM 0 HG2 ARG A 166 -1.409 -9.176 3.189 1.00 0.00 H new ATOM 0 HG3 ARG A 166 -2.101 -9.912 1.757 1.00 0.00 H new ATOM 0 HD2 ARG A 166 -1.023 -11.888 2.093 1.00 0.00 H new ATOM 0 HD3 ARG A 166 0.484 -11.107 2.527 1.00 0.00 H new ATOM 0 HE ARG A 166 -1.663 -10.987 4.560 1.00 0.00 H new ATOM 0 HH11 ARG A 166 1.261 -12.586 3.367 1.00 0.00 H new ATOM 0 HH12 ARG A 166 1.613 -13.346 4.922 1.00 0.00 H new ATOM 0 HH21 ARG A 166 -1.197 -11.975 6.545 1.00 0.00 H new ATOM 0 HH22 ARG A 166 0.230 -13.003 6.709 1.00 0.00 H new ATOM 659 N PHE A 167 1.183 -6.332 0.874 1.00 0.00 N ATOM 660 CA PHE A 167 2.280 -5.544 0.324 1.00 0.00 C ATOM 661 C PHE A 167 3.622 -6.037 0.852 1.00 0.00 C ATOM 662 O PHE A 167 4.157 -5.495 1.818 1.00 0.00 O ATOM 663 CB PHE A 167 2.097 -4.064 0.665 1.00 0.00 C ATOM 664 CG PHE A 167 3.127 -3.173 0.033 1.00 0.00 C ATOM 665 CD1 PHE A 167 2.938 -2.675 -1.247 1.00 0.00 C ATOM 666 CD2 PHE A 167 4.283 -2.834 0.715 1.00 0.00 C ATOM 667 CE1 PHE A 167 3.884 -1.855 -1.832 1.00 0.00 C ATOM 668 CE2 PHE A 167 5.232 -2.014 0.135 1.00 0.00 C ATOM 669 CZ PHE A 167 5.033 -1.524 -1.140 1.00 0.00 C ATOM 0 H PHE A 167 1.165 -6.377 1.893 1.00 0.00 H new ATOM 0 HA PHE A 167 2.270 -5.663 -0.759 1.00 0.00 H new ATOM 0 HB2 PHE A 167 1.106 -3.745 0.344 1.00 0.00 H new ATOM 0 HB3 PHE A 167 2.136 -3.941 1.747 1.00 0.00 H new ATOM 0 HD1 PHE A 167 2.042 -2.931 -1.793 1.00 0.00 H new ATOM 0 HD2 PHE A 167 4.445 -3.215 1.712 1.00 0.00 H new ATOM 0 HE1 PHE A 167 3.725 -1.473 -2.830 1.00 0.00 H new ATOM 0 HE2 PHE A 167 6.129 -1.757 0.679 1.00 0.00 H new ATOM 0 HZ PHE A 167 5.774 -0.883 -1.595 1.00 0.00 H new ATOM 679 N CYS A 168 4.162 -7.070 0.212 1.00 0.00 N ATOM 680 CA CYS A 168 5.443 -7.636 0.619 1.00 0.00 C ATOM 681 C CYS A 168 6.565 -6.619 0.449 1.00 0.00 C ATOM 682 O CYS A 168 6.667 -5.956 -0.583 1.00 0.00 O ATOM 683 CB CYS A 168 5.751 -8.892 -0.198 1.00 0.00 C ATOM 684 SG CYS A 168 7.271 -9.739 0.294 1.00 0.00 S ATOM 0 H CYS A 168 3.732 -7.532 -0.590 1.00 0.00 H new ATOM 0 HA CYS A 168 5.375 -7.903 1.674 1.00 0.00 H new ATOM 0 HB2 CYS A 168 4.915 -9.586 -0.106 1.00 0.00 H new ATOM 0 HB3 CYS A 168 5.825 -8.619 -1.251 1.00 0.00 H new ATOM 0 HG CYS A 168 7.444 -10.789 -0.453 1.00 0.00 H new ATOM 690 N GLN A 169 7.407 -6.500 1.470 1.00 0.00 N ATOM 691 CA GLN A 169 8.525 -5.563 1.434 1.00 0.00 C ATOM 692 C GLN A 169 9.589 -6.024 0.444 1.00 0.00 C ATOM 693 O GLN A 169 10.130 -5.223 -0.319 1.00 0.00 O ATOM 694 CB GLN A 169 9.137 -5.413 2.829 1.00 0.00 C ATOM 695 CG GLN A 169 8.533 -4.277 3.638 1.00 0.00 C ATOM 696 CD GLN A 169 8.458 -4.593 5.119 1.00 0.00 C ATOM 697 OE1 GLN A 169 9.189 -5.446 5.621 1.00 0.00 O ATOM 698 NE2 GLN A 169 7.569 -3.904 5.827 1.00 0.00 N ATOM 0 H GLN A 169 7.337 -7.040 2.332 1.00 0.00 H new ATOM 0 HA GLN A 169 8.146 -4.595 1.106 1.00 0.00 H new ATOM 0 HB2 GLN A 169 9.007 -6.347 3.376 1.00 0.00 H new ATOM 0 HB3 GLN A 169 10.210 -5.248 2.730 1.00 0.00 H new ATOM 0 HG2 GLN A 169 9.128 -3.375 3.492 1.00 0.00 H new ATOM 0 HG3 GLN A 169 7.532 -4.062 3.265 1.00 0.00 H new ATOM 0 HE21 GLN A 169 6.983 -3.206 5.369 1.00 0.00 H new ATOM 0 HE22 GLN A 169 7.473 -4.073 6.828 1.00 0.00 H new ATOM 707 N GLN A 170 9.884 -7.320 0.462 1.00 0.00 N ATOM 708 CA GLN A 170 10.883 -7.888 -0.436 1.00 0.00 C ATOM 709 C GLN A 170 10.485 -7.680 -1.894 1.00 0.00 C ATOM 710 O GLN A 170 11.149 -6.954 -2.632 1.00 0.00 O ATOM 711 CB GLN A 170 11.066 -9.380 -0.147 1.00 0.00 C ATOM 712 CG GLN A 170 12.502 -9.771 0.160 1.00 0.00 C ATOM 713 CD GLN A 170 12.602 -11.073 0.930 1.00 0.00 C ATOM 714 OE1 GLN A 170 12.819 -12.136 0.348 1.00 0.00 O ATOM 715 NE2 GLN A 170 12.441 -10.996 2.246 1.00 0.00 N ATOM 0 H GLN A 170 9.446 -7.996 1.088 1.00 0.00 H new ATOM 0 HA GLN A 170 11.829 -7.374 -0.263 1.00 0.00 H new ATOM 0 HB2 GLN A 170 10.435 -9.658 0.697 1.00 0.00 H new ATOM 0 HB3 GLN A 170 10.719 -9.953 -1.007 1.00 0.00 H new ATOM 0 HG2 GLN A 170 13.057 -9.862 -0.774 1.00 0.00 H new ATOM 0 HG3 GLN A 170 12.976 -8.976 0.736 1.00 0.00 H new ATOM 0 HE21 GLN A 170 12.263 -10.093 2.686 1.00 0.00 H new ATOM 0 HE22 GLN A 170 12.495 -11.840 2.817 1.00 0.00 H new ATOM 724 N CYS A 171 9.394 -8.321 -2.300 1.00 0.00 N ATOM 725 CA CYS A 171 8.905 -8.206 -3.669 1.00 0.00 C ATOM 726 C CYS A 171 8.494 -6.770 -3.980 1.00 0.00 C ATOM 727 O CYS A 171 8.683 -6.286 -5.095 1.00 0.00 O ATOM 728 CB CYS A 171 7.721 -9.148 -3.891 1.00 0.00 C ATOM 729 SG CYS A 171 8.147 -10.903 -3.809 1.00 0.00 S ATOM 0 H CYS A 171 8.832 -8.925 -1.701 1.00 0.00 H new ATOM 0 HA CYS A 171 9.714 -8.487 -4.343 1.00 0.00 H new ATOM 0 HB2 CYS A 171 6.957 -8.936 -3.144 1.00 0.00 H new ATOM 0 HB3 CYS A 171 7.281 -8.937 -4.866 1.00 0.00 H new ATOM 0 HG CYS A 171 7.080 -11.618 -4.007 1.00 0.00 H new ATOM 735 N SER A 172 7.928 -6.095 -2.984 1.00 0.00 N ATOM 736 CA SER A 172 7.488 -4.715 -3.148 1.00 0.00 C ATOM 737 C SER A 172 6.438 -4.605 -4.249 1.00 0.00 C ATOM 738 O SER A 172 6.700 -4.055 -5.319 1.00 0.00 O ATOM 739 CB SER A 172 8.682 -3.814 -3.471 1.00 0.00 C ATOM 740 OG SER A 172 9.761 -4.059 -2.585 1.00 0.00 O ATOM 0 H SER A 172 7.764 -6.482 -2.055 1.00 0.00 H new ATOM 0 HA SER A 172 7.038 -4.388 -2.210 1.00 0.00 H new ATOM 0 HB2 SER A 172 9.004 -3.987 -4.498 1.00 0.00 H new ATOM 0 HB3 SER A 172 8.382 -2.768 -3.403 1.00 0.00 H new ATOM 0 HG SER A 172 9.422 -4.473 -1.764 1.00 0.00 H new ATOM 746 N ARG A 173 5.249 -5.133 -3.979 1.00 0.00 N ATOM 747 CA ARG A 173 4.159 -5.095 -4.947 1.00 0.00 C ATOM 748 C ARG A 173 2.886 -5.692 -4.355 1.00 0.00 C ATOM 749 O ARG A 173 2.916 -6.761 -3.743 1.00 0.00 O ATOM 750 CB ARG A 173 4.549 -5.853 -6.217 1.00 0.00 C ATOM 751 CG ARG A 173 3.569 -5.665 -7.364 1.00 0.00 C ATOM 752 CD ARG A 173 3.922 -6.552 -8.548 1.00 0.00 C ATOM 753 NE ARG A 173 5.221 -6.207 -9.120 1.00 0.00 N ATOM 754 CZ ARG A 173 5.917 -7.016 -9.917 1.00 0.00 C ATOM 755 NH1 ARG A 173 5.443 -8.214 -10.236 1.00 0.00 N ATOM 756 NH2 ARG A 173 7.091 -6.626 -10.395 1.00 0.00 N ATOM 0 H ARG A 173 5.016 -5.592 -3.099 1.00 0.00 H new ATOM 0 HA ARG A 173 3.967 -4.052 -5.200 1.00 0.00 H new ATOM 0 HB2 ARG A 173 5.538 -5.524 -6.537 1.00 0.00 H new ATOM 0 HB3 ARG A 173 4.626 -6.916 -5.987 1.00 0.00 H new ATOM 0 HG2 ARG A 173 2.560 -5.895 -7.023 1.00 0.00 H new ATOM 0 HG3 ARG A 173 3.569 -4.621 -7.677 1.00 0.00 H new ATOM 0 HD2 ARG A 173 3.931 -7.595 -8.230 1.00 0.00 H new ATOM 0 HD3 ARG A 173 3.152 -6.459 -9.314 1.00 0.00 H new ATOM 0 HE ARG A 173 5.618 -5.294 -8.896 1.00 0.00 H new ATOM 0 HH11 ARG A 173 4.541 -8.520 -9.870 1.00 0.00 H new ATOM 0 HH12 ARG A 173 5.981 -8.829 -10.847 1.00 0.00 H new ATOM 0 HH21 ARG A 173 7.461 -5.707 -10.152 1.00 0.00 H new ATOM 0 HH22 ARG A 173 7.624 -7.245 -11.005 1.00 0.00 H new ATOM 770 N PHE A 174 1.768 -4.997 -4.542 1.00 0.00 N ATOM 771 CA PHE A 174 0.485 -5.459 -4.027 1.00 0.00 C ATOM 772 C PHE A 174 0.081 -6.779 -4.679 1.00 0.00 C ATOM 773 O PHE A 174 -0.260 -6.819 -5.862 1.00 0.00 O ATOM 774 CB PHE A 174 -0.595 -4.403 -4.270 1.00 0.00 C ATOM 775 CG PHE A 174 -0.808 -3.482 -3.102 1.00 0.00 C ATOM 776 CD1 PHE A 174 -0.926 -3.988 -1.817 1.00 0.00 C ATOM 777 CD2 PHE A 174 -0.891 -2.110 -3.288 1.00 0.00 C ATOM 778 CE1 PHE A 174 -1.123 -3.143 -0.740 1.00 0.00 C ATOM 779 CE2 PHE A 174 -1.087 -1.262 -2.215 1.00 0.00 C ATOM 780 CZ PHE A 174 -1.203 -1.780 -0.940 1.00 0.00 C ATOM 0 H PHE A 174 1.725 -4.112 -5.047 1.00 0.00 H new ATOM 0 HA PHE A 174 0.588 -5.622 -2.954 1.00 0.00 H new ATOM 0 HB2 PHE A 174 -0.323 -3.811 -5.144 1.00 0.00 H new ATOM 0 HB3 PHE A 174 -1.535 -4.903 -4.504 1.00 0.00 H new ATOM 0 HD1 PHE A 174 -0.863 -5.054 -1.655 1.00 0.00 H new ATOM 0 HD2 PHE A 174 -0.801 -1.700 -4.283 1.00 0.00 H new ATOM 0 HE1 PHE A 174 -1.214 -3.549 0.256 1.00 0.00 H new ATOM 0 HE2 PHE A 174 -1.149 -0.195 -2.373 1.00 0.00 H new ATOM 0 HZ PHE A 174 -1.356 -1.119 -0.100 1.00 0.00 H new ATOM 790 N HIS A 175 0.125 -7.857 -3.902 1.00 0.00 N ATOM 791 CA HIS A 175 -0.235 -9.178 -4.406 1.00 0.00 C ATOM 792 C HIS A 175 -1.440 -9.740 -3.657 1.00 0.00 C ATOM 793 O HIS A 175 -1.523 -9.644 -2.432 1.00 0.00 O ATOM 794 CB HIS A 175 0.951 -10.136 -4.277 1.00 0.00 C ATOM 795 CG HIS A 175 1.839 -10.154 -5.483 1.00 0.00 C ATOM 796 ND1 HIS A 175 3.211 -10.252 -5.407 1.00 0.00 N ATOM 797 CD2 HIS A 175 1.541 -10.087 -6.803 1.00 0.00 C ATOM 798 CE1 HIS A 175 3.721 -10.242 -6.625 1.00 0.00 C ATOM 799 NE2 HIS A 175 2.729 -10.144 -7.490 1.00 0.00 N ATOM 0 H HIS A 175 0.406 -7.842 -2.922 1.00 0.00 H new ATOM 0 HA HIS A 175 -0.501 -9.076 -5.458 1.00 0.00 H new ATOM 0 HB2 HIS A 175 1.542 -9.855 -3.405 1.00 0.00 H new ATOM 0 HB3 HIS A 175 0.576 -11.143 -4.097 1.00 0.00 H new ATOM 0 HD2 HIS A 175 0.554 -10.004 -7.234 1.00 0.00 H new ATOM 0 HE1 HIS A 175 4.771 -10.304 -6.871 1.00 0.00 H new ATOM 0 HE2 HIS A 175 2.828 -10.115 -8.505 1.00 0.00 H new ATOM 807 N VAL A 176 -2.371 -10.329 -4.402 1.00 0.00 N ATOM 808 CA VAL A 176 -3.575 -10.908 -3.815 1.00 0.00 C ATOM 809 C VAL A 176 -3.232 -11.904 -2.710 1.00 0.00 C ATOM 810 O VAL A 176 -2.060 -12.152 -2.428 1.00 0.00 O ATOM 811 CB VAL A 176 -4.432 -11.617 -4.879 1.00 0.00 C ATOM 812 CG1 VAL A 176 -5.079 -10.603 -5.809 1.00 0.00 C ATOM 813 CG2 VAL A 176 -3.592 -12.613 -5.664 1.00 0.00 C ATOM 0 H VAL A 176 -2.314 -10.418 -5.417 1.00 0.00 H new ATOM 0 HA VAL A 176 -4.144 -10.082 -3.388 1.00 0.00 H new ATOM 0 HB VAL A 176 -5.226 -12.166 -4.372 1.00 0.00 H new ATOM 0 HG11 VAL A 176 -5.680 -11.124 -6.554 1.00 0.00 H new ATOM 0 HG12 VAL A 176 -5.717 -9.934 -5.231 1.00 0.00 H new ATOM 0 HG13 VAL A 176 -4.304 -10.023 -6.310 1.00 0.00 H new ATOM 0 HG21 VAL A 176 -4.215 -13.105 -6.412 1.00 0.00 H new ATOM 0 HG22 VAL A 176 -2.775 -12.089 -6.160 1.00 0.00 H new ATOM 0 HG23 VAL A 176 -3.184 -13.360 -4.984 1.00 0.00 H new ATOM 823 N LEU A 177 -4.262 -12.471 -2.091 1.00 0.00 N ATOM 824 CA LEU A 177 -4.070 -13.440 -1.018 1.00 0.00 C ATOM 825 C LEU A 177 -4.173 -14.868 -1.545 1.00 0.00 C ATOM 826 O LEU A 177 -4.554 -15.783 -0.816 1.00 0.00 O ATOM 827 CB LEU A 177 -5.104 -13.219 0.090 1.00 0.00 C ATOM 828 CG LEU A 177 -5.390 -11.755 0.428 1.00 0.00 C ATOM 829 CD1 LEU A 177 -6.596 -11.645 1.347 1.00 0.00 C ATOM 830 CD2 LEU A 177 -4.169 -11.109 1.068 1.00 0.00 C ATOM 0 H LEU A 177 -5.238 -12.276 -2.314 1.00 0.00 H new ATOM 0 HA LEU A 177 -3.070 -13.294 -0.609 1.00 0.00 H new ATOM 0 HB2 LEU A 177 -6.038 -13.697 -0.206 1.00 0.00 H new ATOM 0 HB3 LEU A 177 -4.760 -13.724 0.993 1.00 0.00 H new ATOM 0 HG LEU A 177 -5.615 -11.225 -0.497 1.00 0.00 H new ATOM 0 HD11 LEU A 177 -6.784 -10.596 1.577 1.00 0.00 H new ATOM 0 HD12 LEU A 177 -7.470 -12.071 0.853 1.00 0.00 H new ATOM 0 HD13 LEU A 177 -6.400 -12.189 2.271 1.00 0.00 H new ATOM 0 HD21 LEU A 177 -4.389 -10.068 1.302 1.00 0.00 H new ATOM 0 HD22 LEU A 177 -3.914 -11.641 1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 177 -3.328 -11.155 0.376 1.00 0.00 H new