USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 371 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 Single : A 100 MET CE :methyl 156:sc= -0.186 (180deg=-0.46) USER MOD Single : A 104 HIS : no HD1:sc= -1.37 K(o=-1.4,f=-2.6) USER MOD Single : A 105 GLN : amide:sc= -1.78 X(o=-1.8,f=-1.5) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 HIS : no HD1:sc= -1.94 K(o=-1.9,f=-2.6) USER MOD Single : A 116 SER OG : rot 69:sc= 0.282 USER MOD Single : A 122 SER OG : rot 160:sc= -0.0575 USER MOD Single : A 123 THR OG1 : rot -30:sc= 0.267 USER MOD Single : A 124 HIS : no HD1:sc= -4.59 K(o=-4.6,f=-6.8) USER MOD Single : A 127 THR OG1 : rot 160:sc= 0 USER MOD Single : A 128 THR OG1 : rot 19:sc= 0.279 USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 144 LYS NZ :NH3+ -113:sc= 0.0632 (180deg=-0.303) USER MOD Single : A 145 MET CE :methyl 151:sc= -0.303 (180deg=-1.33!) USER MOD Single : A 147 HIS : no HD1:sc= -0.0668 K(o=-0.067,f=-0.65) USER MOD Single : A 163 SER OG : rot 180:sc= 0 USER MOD Single : A 168 GLN : amide:sc= 0.657 K(o=0.66,f=-4.4!) USER MOD Single : A 169 THR OG1 : rot 180:sc= -1.63 USER MOD Single : A 170 SER OG : rot 180:sc= 0 USER MOD Single : A 173 ASN : amide:sc= -0.906 K(o=-0.91,f=-5!) USER MOD Single : A 174 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 100 1.956 -0.259 -0.786 1.00 0.00 N ATOM 2 CA MET A 100 3.247 -0.766 -1.236 1.00 0.00 C ATOM 3 C MET A 100 3.075 -2.043 -2.052 1.00 0.00 C ATOM 4 O MET A 100 3.614 -3.093 -1.700 1.00 0.00 O ATOM 5 CB MET A 100 4.160 -1.033 -0.038 1.00 0.00 C ATOM 6 CG MET A 100 4.157 0.088 0.990 1.00 0.00 C ATOM 7 SD MET A 100 2.915 -0.151 2.274 1.00 0.00 S ATOM 8 CE MET A 100 1.933 1.333 2.076 1.00 0.00 C ATOM 0 HA MET A 100 3.705 -0.008 -1.871 1.00 0.00 H new ATOM 0 HB2 MET A 100 3.850 -1.959 0.446 1.00 0.00 H new ATOM 0 HB3 MET A 100 5.179 -1.185 -0.395 1.00 0.00 H new ATOM 0 HG2 MET A 100 5.142 0.156 1.451 1.00 0.00 H new ATOM 0 HG3 MET A 100 3.975 1.037 0.486 1.00 0.00 H new ATOM 0 HE1 MET A 100 0.929 1.159 2.463 1.00 0.00 H new ATOM 0 HE2 MET A 100 2.397 2.152 2.626 1.00 0.00 H new ATOM 0 HE3 MET A 100 1.875 1.592 1.019 1.00 0.00 H new ATOM 18 N ILE A 101 2.322 -1.946 -3.143 1.00 0.00 N ATOM 19 CA ILE A 101 2.080 -3.093 -4.009 1.00 0.00 C ATOM 20 C ILE A 101 2.680 -2.873 -5.393 1.00 0.00 C ATOM 21 O ILE A 101 3.112 -1.769 -5.725 1.00 0.00 O ATOM 22 CB ILE A 101 0.574 -3.382 -4.154 1.00 0.00 C ATOM 23 CG1 ILE A 101 -0.031 -2.505 -5.252 1.00 0.00 C ATOM 24 CG2 ILE A 101 -0.140 -3.151 -2.831 1.00 0.00 C ATOM 25 CD1 ILE A 101 -1.543 -2.547 -5.295 1.00 0.00 C ATOM 0 H ILE A 101 1.869 -1.084 -3.448 1.00 0.00 H new ATOM 0 HA ILE A 101 2.562 -3.950 -3.539 1.00 0.00 H new ATOM 0 HB ILE A 101 0.445 -4.427 -4.436 1.00 0.00 H new ATOM 0 HG12 ILE A 101 0.292 -1.475 -5.102 1.00 0.00 H new ATOM 0 HG13 ILE A 101 0.361 -2.824 -6.218 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -1.203 -3.359 -2.950 1.00 0.00 H new ATOM 0 HG22 ILE A 101 0.277 -3.813 -2.072 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.006 -2.115 -2.521 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -1.902 -1.902 -6.097 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -1.874 -3.570 -5.476 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -1.944 -2.199 -4.343 1.00 0.00 H new ATOM 37 N TRP A 102 2.703 -3.930 -6.196 1.00 0.00 N ATOM 38 CA TRP A 102 3.249 -3.852 -7.547 1.00 0.00 C ATOM 39 C TRP A 102 2.132 -3.764 -8.581 1.00 0.00 C ATOM 40 O TRP A 102 1.123 -4.463 -8.481 1.00 0.00 O ATOM 41 CB TRP A 102 4.131 -5.068 -7.834 1.00 0.00 C ATOM 42 CG TRP A 102 5.401 -5.081 -7.037 1.00 0.00 C ATOM 43 CD1 TRP A 102 5.514 -5.108 -5.676 1.00 0.00 C ATOM 44 CD2 TRP A 102 6.736 -5.067 -7.552 1.00 0.00 C ATOM 45 NE1 TRP A 102 6.840 -5.111 -5.314 1.00 0.00 N ATOM 46 CE2 TRP A 102 7.610 -5.087 -6.447 1.00 0.00 C ATOM 47 CE3 TRP A 102 7.280 -5.041 -8.839 1.00 0.00 C ATOM 48 CZ2 TRP A 102 8.994 -5.081 -6.592 1.00 0.00 C ATOM 49 CZ3 TRP A 102 8.654 -5.034 -8.982 1.00 0.00 C ATOM 50 CH2 TRP A 102 9.499 -5.055 -7.864 1.00 0.00 C ATOM 0 H TRP A 102 2.350 -4.851 -5.936 1.00 0.00 H new ATOM 0 HA TRP A 102 3.855 -2.948 -7.616 1.00 0.00 H new ATOM 0 HB2 TRP A 102 3.567 -5.976 -7.620 1.00 0.00 H new ATOM 0 HB3 TRP A 102 4.376 -5.088 -8.896 1.00 0.00 H new ATOM 0 HD1 TRP A 102 4.684 -5.125 -4.986 1.00 0.00 H new ATOM 0 HE1 TRP A 102 7.193 -5.128 -4.357 1.00 0.00 H new ATOM 0 HE3 TRP A 102 6.637 -5.027 -9.707 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 9.646 -5.096 -5.732 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 9.084 -5.012 -9.972 1.00 0.00 H new ATOM 0 HH2 TRP A 102 10.569 -5.051 -8.009 1.00 0.00 H new ATOM 61 N CYS A 103 2.318 -2.902 -9.575 1.00 0.00 N ATOM 62 CA CYS A 103 1.326 -2.722 -10.628 1.00 0.00 C ATOM 63 C CYS A 103 2.000 -2.473 -11.974 1.00 0.00 C ATOM 64 O CYS A 103 3.219 -2.598 -12.102 1.00 0.00 O ATOM 65 CB CYS A 103 0.395 -1.557 -10.287 1.00 0.00 C ATOM 66 SG CYS A 103 -0.341 -1.654 -8.624 1.00 0.00 S ATOM 0 H CYS A 103 3.148 -2.317 -9.673 1.00 0.00 H new ATOM 0 HA CYS A 103 0.739 -3.638 -10.700 1.00 0.00 H new ATOM 0 HB2 CYS A 103 0.952 -0.624 -10.372 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -0.406 -1.518 -11.025 1.00 0.00 H new ATOM 71 N HIS A 104 1.200 -2.119 -12.974 1.00 0.00 N ATOM 72 CA HIS A 104 1.719 -1.850 -14.310 1.00 0.00 C ATOM 73 C HIS A 104 1.964 -0.357 -14.508 1.00 0.00 C ATOM 74 O HIS A 104 1.099 0.467 -14.214 1.00 0.00 O ATOM 75 CB HIS A 104 0.745 -2.364 -15.372 1.00 0.00 C ATOM 76 CG HIS A 104 0.773 -3.852 -15.539 1.00 0.00 C ATOM 77 ND1 HIS A 104 1.933 -4.595 -15.482 1.00 0.00 N ATOM 78 CD2 HIS A 104 -0.227 -4.736 -15.763 1.00 0.00 C ATOM 79 CE1 HIS A 104 1.646 -5.871 -15.664 1.00 0.00 C ATOM 80 NE2 HIS A 104 0.341 -5.984 -15.836 1.00 0.00 N ATOM 0 H HIS A 104 0.190 -2.012 -12.885 1.00 0.00 H new ATOM 0 HA HIS A 104 2.669 -2.373 -14.415 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -0.266 -2.055 -15.106 1.00 0.00 H new ATOM 0 HB3 HIS A 104 0.981 -1.895 -16.327 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -1.277 -4.503 -15.865 1.00 0.00 H new ATOM 0 HE1 HIS A 104 2.357 -6.684 -15.671 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -0.163 -6.856 -15.997 1.00 0.00 H new ATOM 88 N GLN A 105 3.149 -0.018 -15.007 1.00 0.00 N ATOM 89 CA GLN A 105 3.507 1.376 -15.242 1.00 0.00 C ATOM 90 C GLN A 105 3.934 1.591 -16.690 1.00 0.00 C ATOM 91 O GLN A 105 4.966 2.206 -16.960 1.00 0.00 O ATOM 92 CB GLN A 105 4.633 1.801 -14.298 1.00 0.00 C ATOM 93 CG GLN A 105 4.137 2.373 -12.979 1.00 0.00 C ATOM 94 CD GLN A 105 5.088 2.099 -11.830 1.00 0.00 C ATOM 95 OE1 GLN A 105 6.240 2.534 -11.845 1.00 0.00 O ATOM 96 NE2 GLN A 105 4.609 1.374 -10.826 1.00 0.00 N ATOM 0 H GLN A 105 3.876 -0.689 -15.256 1.00 0.00 H new ATOM 0 HA GLN A 105 2.627 1.989 -15.046 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.270 0.940 -14.095 1.00 0.00 H new ATOM 0 HB3 GLN A 105 5.253 2.546 -14.797 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.999 3.449 -13.083 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.161 1.948 -12.747 1.00 0.00 H new ATOM 0 HE21 GLN A 105 3.648 1.034 -10.856 1.00 0.00 H new ATOM 0 HE22 GLN A 105 5.202 1.157 -10.025 1.00 0.00 H new ATOM 105 N CYS A 106 3.132 1.081 -17.620 1.00 0.00 N ATOM 106 CA CYS A 106 3.426 1.217 -19.041 1.00 0.00 C ATOM 107 C CYS A 106 2.988 2.584 -19.560 1.00 0.00 C ATOM 108 O CYS A 106 2.208 3.284 -18.914 1.00 0.00 O ATOM 109 CB CYS A 106 2.729 0.111 -19.835 1.00 0.00 C ATOM 110 SG CYS A 106 3.560 -0.319 -21.399 1.00 0.00 S ATOM 0 H CYS A 106 2.274 0.570 -17.414 1.00 0.00 H new ATOM 0 HA CYS A 106 4.504 1.127 -19.173 1.00 0.00 H new ATOM 0 HB2 CYS A 106 2.664 -0.782 -19.213 1.00 0.00 H new ATOM 0 HB3 CYS A 106 1.708 0.423 -20.053 1.00 0.00 H new ATOM 115 N THR A 107 3.495 2.957 -20.730 1.00 0.00 N ATOM 116 CA THR A 107 3.157 4.239 -21.336 1.00 0.00 C ATOM 117 C THR A 107 1.745 4.221 -21.909 1.00 0.00 C ATOM 118 O THR A 107 0.900 5.032 -21.531 1.00 0.00 O ATOM 119 CB THR A 107 4.149 4.611 -22.454 1.00 0.00 C ATOM 120 OG1 THR A 107 5.477 4.687 -21.926 1.00 0.00 O ATOM 121 CG2 THR A 107 3.773 5.941 -23.090 1.00 0.00 C ATOM 0 H THR A 107 4.142 2.389 -21.278 1.00 0.00 H new ATOM 0 HA THR A 107 3.215 4.987 -20.546 1.00 0.00 H new ATOM 0 HB THR A 107 4.107 3.836 -23.219 1.00 0.00 H new ATOM 0 HG1 THR A 107 6.101 4.922 -22.644 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.488 6.183 -23.877 1.00 0.00 H new ATOM 0 HG22 THR A 107 2.773 5.870 -23.518 1.00 0.00 H new ATOM 0 HG23 THR A 107 3.789 6.724 -22.332 1.00 0.00 H new ATOM 129 N GLY A 108 1.494 3.290 -22.824 1.00 0.00 N ATOM 130 CA GLY A 108 0.182 3.184 -23.435 1.00 0.00 C ATOM 131 C GLY A 108 0.255 2.933 -24.928 1.00 0.00 C ATOM 132 O GLY A 108 0.272 3.873 -25.723 1.00 0.00 O ATOM 0 H GLY A 108 2.176 2.607 -23.153 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -0.372 2.374 -22.960 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -0.376 4.102 -23.251 1.00 0.00 H new ATOM 136 N PHE A 109 0.301 1.662 -25.311 1.00 0.00 N ATOM 137 CA PHE A 109 0.377 1.290 -26.719 1.00 0.00 C ATOM 138 C PHE A 109 -0.255 -0.079 -26.955 1.00 0.00 C ATOM 139 O PHE A 109 0.444 -1.075 -27.132 1.00 0.00 O ATOM 140 CB PHE A 109 1.833 1.280 -27.189 1.00 0.00 C ATOM 141 CG PHE A 109 2.535 2.592 -26.992 1.00 0.00 C ATOM 142 CD1 PHE A 109 2.241 3.679 -27.800 1.00 0.00 C ATOM 143 CD2 PHE A 109 3.490 2.740 -25.998 1.00 0.00 C ATOM 144 CE1 PHE A 109 2.887 4.887 -27.621 1.00 0.00 C ATOM 145 CE2 PHE A 109 4.139 3.946 -25.814 1.00 0.00 C ATOM 146 CZ PHE A 109 3.836 5.022 -26.626 1.00 0.00 C ATOM 0 H PHE A 109 0.287 0.872 -24.666 1.00 0.00 H new ATOM 0 HA PHE A 109 -0.178 2.031 -27.295 1.00 0.00 H new ATOM 0 HB2 PHE A 109 2.375 0.503 -26.650 1.00 0.00 H new ATOM 0 HB3 PHE A 109 1.863 1.016 -28.246 1.00 0.00 H new ATOM 0 HD1 PHE A 109 1.499 3.581 -28.578 1.00 0.00 H new ATOM 0 HD2 PHE A 109 3.730 1.902 -25.360 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.650 5.726 -28.259 1.00 0.00 H new ATOM 0 HE2 PHE A 109 4.882 4.047 -25.037 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.340 5.967 -26.483 1.00 0.00 H new ATOM 156 N GLY A 110 -1.585 -0.119 -26.955 1.00 0.00 N ATOM 157 CA GLY A 110 -2.289 -1.369 -27.169 1.00 0.00 C ATOM 158 C GLY A 110 -2.447 -2.171 -25.893 1.00 0.00 C ATOM 159 O GLY A 110 -2.476 -3.401 -25.924 1.00 0.00 O ATOM 0 H GLY A 110 -2.186 0.692 -26.811 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -3.274 -1.161 -27.588 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -1.749 -1.965 -27.905 1.00 0.00 H new ATOM 163 N GLY A 111 -2.547 -1.474 -24.765 1.00 0.00 N ATOM 164 CA GLY A 111 -2.699 -2.146 -23.488 1.00 0.00 C ATOM 165 C GLY A 111 -1.446 -2.890 -23.072 1.00 0.00 C ATOM 166 O GLY A 111 -1.522 -3.970 -22.486 1.00 0.00 O ATOM 0 H GLY A 111 -2.525 -0.456 -24.713 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -2.953 -1.412 -22.723 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -3.532 -2.847 -23.547 1.00 0.00 H new ATOM 170 N CYS A 112 -0.289 -2.313 -23.376 1.00 0.00 N ATOM 171 CA CYS A 112 0.987 -2.928 -23.032 1.00 0.00 C ATOM 172 C CYS A 112 1.064 -3.222 -21.536 1.00 0.00 C ATOM 173 O CYS A 112 0.143 -2.906 -20.783 1.00 0.00 O ATOM 174 CB CYS A 112 2.145 -2.017 -23.444 1.00 0.00 C ATOM 175 SG CYS A 112 2.060 -0.340 -22.736 1.00 0.00 S ATOM 0 H CYS A 112 -0.209 -1.419 -23.861 1.00 0.00 H new ATOM 0 HA CYS A 112 1.065 -3.870 -23.574 1.00 0.00 H new ATOM 0 HB2 CYS A 112 3.084 -2.481 -23.141 1.00 0.00 H new ATOM 0 HB3 CYS A 112 2.164 -1.940 -24.531 1.00 0.00 H new ATOM 180 N SER A 113 2.169 -3.827 -21.114 1.00 0.00 N ATOM 181 CA SER A 113 2.365 -4.167 -19.709 1.00 0.00 C ATOM 182 C SER A 113 3.771 -3.789 -19.250 1.00 0.00 C ATOM 183 O SER A 113 4.687 -3.656 -20.063 1.00 0.00 O ATOM 184 CB SER A 113 2.128 -5.661 -19.486 1.00 0.00 C ATOM 185 OG SER A 113 3.239 -6.425 -19.922 1.00 0.00 O ATOM 0 H SER A 113 2.942 -4.092 -21.724 1.00 0.00 H new ATOM 0 HA SER A 113 1.644 -3.601 -19.119 1.00 0.00 H new ATOM 0 HB2 SER A 113 1.946 -5.849 -18.428 1.00 0.00 H new ATOM 0 HB3 SER A 113 1.233 -5.975 -20.024 1.00 0.00 H new ATOM 0 HG SER A 113 3.063 -7.376 -19.767 1.00 0.00 H new ATOM 191 N HIS A 114 3.933 -3.619 -17.942 1.00 0.00 N ATOM 192 CA HIS A 114 5.227 -3.257 -17.373 1.00 0.00 C ATOM 193 C HIS A 114 5.191 -3.334 -15.850 1.00 0.00 C ATOM 194 O HIS A 114 4.991 -2.327 -15.172 1.00 0.00 O ATOM 195 CB HIS A 114 5.626 -1.849 -17.815 1.00 0.00 C ATOM 196 CG HIS A 114 6.485 -1.827 -19.042 1.00 0.00 C ATOM 197 ND1 HIS A 114 6.490 -0.779 -19.938 1.00 0.00 N ATOM 198 CD2 HIS A 114 7.371 -2.732 -19.519 1.00 0.00 C ATOM 199 CE1 HIS A 114 7.341 -1.041 -20.914 1.00 0.00 C ATOM 200 NE2 HIS A 114 7.889 -2.220 -20.683 1.00 0.00 N ATOM 0 H HIS A 114 3.185 -3.726 -17.256 1.00 0.00 H new ATOM 0 HA HIS A 114 5.969 -3.968 -17.738 1.00 0.00 H new ATOM 0 HB2 HIS A 114 4.724 -1.267 -18.003 1.00 0.00 H new ATOM 0 HB3 HIS A 114 6.158 -1.358 -17.000 1.00 0.00 H new ATOM 0 HD2 HIS A 114 7.624 -3.680 -19.068 1.00 0.00 H new ATOM 0 HE1 HIS A 114 7.552 -0.400 -21.757 1.00 0.00 H new ATOM 0 HE2 HIS A 114 8.584 -2.676 -21.273 1.00 0.00 H new ATOM 208 N GLY A 115 5.387 -4.537 -15.318 1.00 0.00 N ATOM 209 CA GLY A 115 5.372 -4.723 -13.879 1.00 0.00 C ATOM 210 C GLY A 115 6.405 -3.867 -13.173 1.00 0.00 C ATOM 211 O GLY A 115 7.605 -4.122 -13.273 1.00 0.00 O ATOM 0 H GLY A 115 5.556 -5.386 -15.858 1.00 0.00 H new ATOM 0 HA2 GLY A 115 4.381 -4.482 -13.495 1.00 0.00 H new ATOM 0 HA3 GLY A 115 5.556 -5.773 -13.649 1.00 0.00 H new ATOM 215 N SER A 116 5.939 -2.848 -12.459 1.00 0.00 N ATOM 216 CA SER A 116 6.832 -1.948 -11.738 1.00 0.00 C ATOM 217 C SER A 116 6.300 -1.664 -10.336 1.00 0.00 C ATOM 218 O SER A 116 5.093 -1.701 -10.099 1.00 0.00 O ATOM 219 CB SER A 116 6.999 -0.637 -12.508 1.00 0.00 C ATOM 220 OG SER A 116 7.378 -0.879 -13.852 1.00 0.00 O ATOM 0 H SER A 116 4.948 -2.625 -12.364 1.00 0.00 H new ATOM 0 HA SER A 116 7.803 -2.434 -11.648 1.00 0.00 H new ATOM 0 HB2 SER A 116 6.064 -0.077 -12.486 1.00 0.00 H new ATOM 0 HB3 SER A 116 7.753 -0.019 -12.020 1.00 0.00 H new ATOM 0 HG SER A 116 6.633 -1.298 -14.331 1.00 0.00 H new ATOM 226 N ARG A 117 7.212 -1.380 -9.412 1.00 0.00 N ATOM 227 CA ARG A 117 6.837 -1.090 -8.033 1.00 0.00 C ATOM 228 C ARG A 117 6.231 0.305 -7.916 1.00 0.00 C ATOM 229 O ARG A 117 6.788 1.280 -8.421 1.00 0.00 O ATOM 230 CB ARG A 117 8.055 -1.208 -7.115 1.00 0.00 C ATOM 231 CG ARG A 117 7.924 -0.414 -5.825 1.00 0.00 C ATOM 232 CD ARG A 117 9.094 -0.675 -4.890 1.00 0.00 C ATOM 233 NE ARG A 117 8.911 -1.898 -4.112 1.00 0.00 N ATOM 234 CZ ARG A 117 8.106 -1.984 -3.058 1.00 0.00 C ATOM 235 NH1 ARG A 117 7.415 -0.926 -2.659 1.00 0.00 N ATOM 236 NH2 ARG A 117 7.992 -3.132 -2.402 1.00 0.00 N ATOM 0 H ARG A 117 8.215 -1.345 -9.593 1.00 0.00 H new ATOM 0 HA ARG A 117 6.087 -1.819 -7.726 1.00 0.00 H new ATOM 0 HB2 ARG A 117 8.215 -2.258 -6.871 1.00 0.00 H new ATOM 0 HB3 ARG A 117 8.940 -0.867 -7.653 1.00 0.00 H new ATOM 0 HG2 ARG A 117 7.871 0.650 -6.055 1.00 0.00 H new ATOM 0 HG3 ARG A 117 6.992 -0.679 -5.326 1.00 0.00 H new ATOM 0 HD2 ARG A 117 10.013 -0.749 -5.471 1.00 0.00 H new ATOM 0 HD3 ARG A 117 9.213 0.171 -4.213 1.00 0.00 H new ATOM 0 HE ARG A 117 9.429 -2.731 -4.393 1.00 0.00 H new ATOM 0 HH11 ARG A 117 7.500 -0.042 -3.161 1.00 0.00 H new ATOM 0 HH12 ARG A 117 6.798 -0.995 -1.850 1.00 0.00 H new ATOM 0 HH21 ARG A 117 8.522 -3.948 -2.707 1.00 0.00 H new ATOM 0 HH22 ARG A 117 7.374 -3.198 -1.593 1.00 0.00 H new ATOM 250 N CYS A 118 5.086 0.393 -7.247 1.00 0.00 N ATOM 251 CA CYS A 118 4.403 1.668 -7.063 1.00 0.00 C ATOM 252 C CYS A 118 5.040 2.469 -5.931 1.00 0.00 C ATOM 253 O CYS A 118 5.854 1.947 -5.169 1.00 0.00 O ATOM 254 CB CYS A 118 2.920 1.438 -6.768 1.00 0.00 C ATOM 255 SG CYS A 118 2.042 0.495 -8.057 1.00 0.00 S ATOM 0 H CYS A 118 4.611 -0.404 -6.823 1.00 0.00 H new ATOM 0 HA CYS A 118 4.499 2.239 -7.986 1.00 0.00 H new ATOM 0 HB2 CYS A 118 2.827 0.909 -5.819 1.00 0.00 H new ATOM 0 HB3 CYS A 118 2.431 2.404 -6.643 1.00 0.00 H new ATOM 260 N LEU A 119 4.663 3.739 -5.828 1.00 0.00 N ATOM 261 CA LEU A 119 5.197 4.613 -4.789 1.00 0.00 C ATOM 262 C LEU A 119 4.962 4.018 -3.404 1.00 0.00 C ATOM 263 O LEU A 119 3.967 3.332 -3.173 1.00 0.00 O ATOM 264 CB LEU A 119 4.552 5.997 -4.878 1.00 0.00 C ATOM 265 CG LEU A 119 5.287 7.025 -5.739 1.00 0.00 C ATOM 266 CD1 LEU A 119 5.999 6.342 -6.896 1.00 0.00 C ATOM 267 CD2 LEU A 119 4.318 8.079 -6.255 1.00 0.00 C ATOM 0 H LEU A 119 3.990 4.186 -6.451 1.00 0.00 H new ATOM 0 HA LEU A 119 6.271 4.709 -4.946 1.00 0.00 H new ATOM 0 HB2 LEU A 119 3.541 5.881 -5.270 1.00 0.00 H new ATOM 0 HB3 LEU A 119 4.459 6.398 -3.869 1.00 0.00 H new ATOM 0 HG LEU A 119 6.035 7.520 -5.120 1.00 0.00 H new ATOM 0 HD11 LEU A 119 6.516 7.090 -7.497 1.00 0.00 H new ATOM 0 HD12 LEU A 119 6.722 5.626 -6.506 1.00 0.00 H new ATOM 0 HD13 LEU A 119 5.269 5.820 -7.515 1.00 0.00 H new ATOM 0 HD21 LEU A 119 4.858 8.802 -6.866 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.546 7.600 -6.858 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.854 8.591 -5.412 1.00 0.00 H new ATOM 279 N ARG A 120 5.884 4.289 -2.485 1.00 0.00 N ATOM 280 CA ARG A 120 5.776 3.782 -1.123 1.00 0.00 C ATOM 281 C ARG A 120 4.389 4.055 -0.549 1.00 0.00 C ATOM 282 O ARG A 120 3.890 3.297 0.283 1.00 0.00 O ATOM 283 CB ARG A 120 6.843 4.422 -0.232 1.00 0.00 C ATOM 284 CG ARG A 120 6.529 5.856 0.160 1.00 0.00 C ATOM 285 CD ARG A 120 6.700 6.805 -1.015 1.00 0.00 C ATOM 286 NE ARG A 120 8.024 6.692 -1.622 1.00 0.00 N ATOM 287 CZ ARG A 120 8.409 7.395 -2.681 1.00 0.00 C ATOM 288 NH1 ARG A 120 7.577 8.258 -3.247 1.00 0.00 N ATOM 289 NH2 ARG A 120 9.631 7.237 -3.175 1.00 0.00 N ATOM 0 H ARG A 120 6.713 4.857 -2.660 1.00 0.00 H new ATOM 0 HA ARG A 120 5.933 2.704 -1.150 1.00 0.00 H new ATOM 0 HB2 ARG A 120 6.956 3.824 0.672 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.801 4.398 -0.752 1.00 0.00 H new ATOM 0 HG2 ARG A 120 5.506 5.917 0.532 1.00 0.00 H new ATOM 0 HG3 ARG A 120 7.184 6.163 0.975 1.00 0.00 H new ATOM 0 HD2 ARG A 120 5.938 6.594 -1.765 1.00 0.00 H new ATOM 0 HD3 ARG A 120 6.541 7.830 -0.679 1.00 0.00 H new ATOM 0 HE ARG A 120 8.689 6.037 -1.210 1.00 0.00 H new ATOM 0 HH11 ARG A 120 6.638 8.384 -2.869 1.00 0.00 H new ATOM 0 HH12 ARG A 120 7.876 8.796 -4.060 1.00 0.00 H new ATOM 0 HH21 ARG A 120 10.275 6.575 -2.741 1.00 0.00 H new ATOM 0 HH22 ARG A 120 9.926 7.777 -3.988 1.00 0.00 H new ATOM 303 N ASP A 121 3.772 5.141 -0.999 1.00 0.00 N ATOM 304 CA ASP A 121 2.442 5.514 -0.531 1.00 0.00 C ATOM 305 C ASP A 121 1.362 4.809 -1.345 1.00 0.00 C ATOM 306 O ASP A 121 0.351 4.364 -0.801 1.00 0.00 O ATOM 307 CB ASP A 121 2.254 7.030 -0.616 1.00 0.00 C ATOM 308 CG ASP A 121 0.803 7.443 -0.468 1.00 0.00 C ATOM 309 OD1 ASP A 121 0.066 6.762 0.275 1.00 0.00 O ATOM 310 OD2 ASP A 121 0.404 8.447 -1.095 1.00 0.00 O ATOM 0 H ASP A 121 4.171 5.779 -1.687 1.00 0.00 H new ATOM 0 HA ASP A 121 2.350 5.202 0.509 1.00 0.00 H new ATOM 0 HB2 ASP A 121 2.847 7.511 0.162 1.00 0.00 H new ATOM 0 HB3 ASP A 121 2.635 7.387 -1.573 1.00 0.00 H new ATOM 315 N SER A 122 1.582 4.713 -2.653 1.00 0.00 N ATOM 316 CA SER A 122 0.625 4.066 -3.543 1.00 0.00 C ATOM 317 C SER A 122 0.212 2.702 -2.998 1.00 0.00 C ATOM 318 O SER A 122 1.057 1.868 -2.672 1.00 0.00 O ATOM 319 CB SER A 122 1.223 3.909 -4.942 1.00 0.00 C ATOM 320 OG SER A 122 1.193 5.136 -5.650 1.00 0.00 O ATOM 0 H SER A 122 2.414 5.075 -3.119 1.00 0.00 H new ATOM 0 HA SER A 122 -0.262 4.697 -3.603 1.00 0.00 H new ATOM 0 HB2 SER A 122 2.251 3.556 -4.864 1.00 0.00 H new ATOM 0 HB3 SER A 122 0.667 3.152 -5.496 1.00 0.00 H new ATOM 0 HG SER A 122 1.844 5.107 -6.382 1.00 0.00 H new ATOM 326 N THR A 123 -1.096 2.481 -2.902 1.00 0.00 N ATOM 327 CA THR A 123 -1.623 1.220 -2.396 1.00 0.00 C ATOM 328 C THR A 123 -2.585 0.586 -3.395 1.00 0.00 C ATOM 329 O THR A 123 -3.019 -0.552 -3.217 1.00 0.00 O ATOM 330 CB THR A 123 -2.349 1.414 -1.052 1.00 0.00 C ATOM 331 OG1 THR A 123 -2.605 0.142 -0.446 1.00 0.00 O ATOM 332 CG2 THR A 123 -3.660 2.160 -1.248 1.00 0.00 C ATOM 0 H THR A 123 -1.809 3.160 -3.168 1.00 0.00 H new ATOM 0 HA THR A 123 -0.770 0.558 -2.247 1.00 0.00 H new ATOM 0 HB THR A 123 -1.707 2.005 -0.399 1.00 0.00 H new ATOM 0 HG1 THR A 123 -2.717 -0.536 -1.144 1.00 0.00 H new ATOM 0 HG21 THR A 123 -4.155 2.285 -0.285 1.00 0.00 H new ATOM 0 HG22 THR A 123 -3.460 3.139 -1.683 1.00 0.00 H new ATOM 0 HG23 THR A 123 -4.306 1.591 -1.917 1.00 0.00 H new ATOM 340 N HIS A 124 -2.915 1.330 -4.446 1.00 0.00 N ATOM 341 CA HIS A 124 -3.826 0.840 -5.474 1.00 0.00 C ATOM 342 C HIS A 124 -3.301 1.171 -6.868 1.00 0.00 C ATOM 343 O HIS A 124 -2.429 2.025 -7.027 1.00 0.00 O ATOM 344 CB HIS A 124 -5.217 1.444 -5.283 1.00 0.00 C ATOM 345 CG HIS A 124 -5.804 1.182 -3.930 1.00 0.00 C ATOM 346 ND1 HIS A 124 -5.757 -0.052 -3.316 1.00 0.00 N ATOM 347 CD2 HIS A 124 -6.452 2.003 -3.071 1.00 0.00 C ATOM 348 CE1 HIS A 124 -6.352 0.022 -2.139 1.00 0.00 C ATOM 349 NE2 HIS A 124 -6.782 1.258 -1.966 1.00 0.00 N ATOM 0 H HIS A 124 -2.565 2.274 -4.608 1.00 0.00 H new ATOM 0 HA HIS A 124 -3.893 -0.244 -5.378 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.162 2.521 -5.443 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -5.886 1.042 -6.044 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -6.669 3.050 -3.226 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -6.467 -0.791 -1.437 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -7.279 1.603 -1.145 1.00 0.00 H new ATOM 357 N CYS A 125 -3.838 0.490 -7.874 1.00 0.00 N ATOM 358 CA CYS A 125 -3.424 0.710 -9.255 1.00 0.00 C ATOM 359 C CYS A 125 -4.519 1.421 -10.044 1.00 0.00 C ATOM 360 O CYS A 125 -5.699 1.338 -9.703 1.00 0.00 O ATOM 361 CB CYS A 125 -3.079 -0.622 -9.924 1.00 0.00 C ATOM 362 SG CYS A 125 -2.210 -1.798 -8.838 1.00 0.00 S ATOM 0 H CYS A 125 -4.562 -0.220 -7.759 1.00 0.00 H new ATOM 0 HA CYS A 125 -2.538 1.344 -9.246 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -3.999 -1.086 -10.281 1.00 0.00 H new ATOM 0 HB3 CYS A 125 -2.460 -0.427 -10.799 1.00 0.00 H new ATOM 367 N VAL A 126 -4.119 2.120 -11.102 1.00 0.00 N ATOM 368 CA VAL A 126 -5.066 2.845 -11.941 1.00 0.00 C ATOM 369 C VAL A 126 -4.751 2.649 -13.420 1.00 0.00 C ATOM 370 O VAL A 126 -3.587 2.628 -13.821 1.00 0.00 O ATOM 371 CB VAL A 126 -5.060 4.352 -11.621 1.00 0.00 C ATOM 372 CG1 VAL A 126 -6.254 5.039 -12.266 1.00 0.00 C ATOM 373 CG2 VAL A 126 -5.054 4.577 -10.117 1.00 0.00 C ATOM 0 H VAL A 126 -3.146 2.199 -11.398 1.00 0.00 H new ATOM 0 HA VAL A 126 -6.055 2.440 -11.726 1.00 0.00 H new ATOM 0 HB VAL A 126 -4.152 4.790 -12.034 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -6.233 6.103 -12.029 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -6.210 4.907 -13.347 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -7.176 4.600 -11.885 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -5.050 5.647 -9.909 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -5.944 4.126 -9.678 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -4.164 4.120 -9.684 1.00 0.00 H new ATOM 383 N THR A 127 -5.796 2.507 -14.228 1.00 0.00 N ATOM 384 CA THR A 127 -5.632 2.313 -15.663 1.00 0.00 C ATOM 385 C THR A 127 -6.469 3.312 -16.453 1.00 0.00 C ATOM 386 O THR A 127 -7.696 3.327 -16.353 1.00 0.00 O ATOM 387 CB THR A 127 -6.025 0.884 -16.085 1.00 0.00 C ATOM 388 OG1 THR A 127 -5.498 -0.065 -15.152 1.00 0.00 O ATOM 389 CG2 THR A 127 -5.510 0.571 -17.482 1.00 0.00 C ATOM 0 H THR A 127 -6.766 2.523 -13.913 1.00 0.00 H new ATOM 0 HA THR A 127 -4.577 2.473 -15.885 1.00 0.00 H new ATOM 0 HB THR A 127 -7.113 0.818 -16.093 1.00 0.00 H new ATOM 0 HG1 THR A 127 -5.995 -0.906 -15.225 1.00 0.00 H new ATOM 0 HG21 THR A 127 -5.800 -0.443 -17.758 1.00 0.00 H new ATOM 0 HG22 THR A 127 -5.937 1.277 -18.194 1.00 0.00 H new ATOM 0 HG23 THR A 127 -4.423 0.654 -17.496 1.00 0.00 H new ATOM 397 N THR A 128 -5.798 4.147 -17.241 1.00 0.00 N ATOM 398 CA THR A 128 -6.480 5.151 -18.048 1.00 0.00 C ATOM 399 C THR A 128 -6.205 4.943 -19.533 1.00 0.00 C ATOM 400 O THR A 128 -5.103 5.209 -20.012 1.00 0.00 O ATOM 401 CB THR A 128 -6.051 6.576 -17.653 1.00 0.00 C ATOM 402 OG1 THR A 128 -4.688 6.800 -18.031 1.00 0.00 O ATOM 403 CG2 THR A 128 -6.209 6.794 -16.155 1.00 0.00 C ATOM 0 H THR A 128 -4.783 4.147 -17.337 1.00 0.00 H new ATOM 0 HA THR A 128 -7.547 5.036 -17.859 1.00 0.00 H new ATOM 0 HB THR A 128 -6.694 7.283 -18.177 1.00 0.00 H new ATOM 0 HG1 THR A 128 -4.422 6.139 -18.704 1.00 0.00 H new ATOM 0 HG21 THR A 128 -5.900 7.808 -15.900 1.00 0.00 H new ATOM 0 HG22 THR A 128 -7.253 6.652 -15.875 1.00 0.00 H new ATOM 0 HG23 THR A 128 -5.588 6.079 -15.616 1.00 0.00 H new ATOM 411 N ALA A 129 -7.213 4.466 -20.256 1.00 0.00 N ATOM 412 CA ALA A 129 -7.079 4.224 -21.687 1.00 0.00 C ATOM 413 C ALA A 129 -7.770 5.318 -22.495 1.00 0.00 C ATOM 414 O ALA A 129 -8.984 5.282 -22.698 1.00 0.00 O ATOM 415 CB ALA A 129 -7.648 2.860 -22.047 1.00 0.00 C ATOM 0 H ALA A 129 -8.131 4.240 -19.874 1.00 0.00 H new ATOM 0 HA ALA A 129 -6.018 4.240 -21.936 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -7.541 2.693 -23.119 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -7.108 2.085 -21.503 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -8.704 2.823 -21.777 1.00 0.00 H new ATOM 421 N THR A 130 -6.989 6.291 -22.954 1.00 0.00 N ATOM 422 CA THR A 130 -7.526 7.396 -23.738 1.00 0.00 C ATOM 423 C THR A 130 -7.118 7.281 -25.202 1.00 0.00 C ATOM 424 O THR A 130 -5.994 6.884 -25.513 1.00 0.00 O ATOM 425 CB THR A 130 -7.052 8.756 -23.190 1.00 0.00 C ATOM 426 OG1 THR A 130 -7.482 9.810 -24.058 1.00 0.00 O ATOM 427 CG2 THR A 130 -5.537 8.787 -23.056 1.00 0.00 C ATOM 0 H THR A 130 -5.982 6.336 -22.796 1.00 0.00 H new ATOM 0 HA THR A 130 -8.612 7.340 -23.661 1.00 0.00 H new ATOM 0 HB THR A 130 -7.490 8.898 -22.202 1.00 0.00 H new ATOM 0 HG1 THR A 130 -7.178 10.671 -23.702 1.00 0.00 H new ATOM 0 HG21 THR A 130 -5.226 9.757 -22.667 1.00 0.00 H new ATOM 0 HG22 THR A 130 -5.216 8.002 -22.371 1.00 0.00 H new ATOM 0 HG23 THR A 130 -5.082 8.625 -24.033 1.00 0.00 H new ATOM 579 N PRO A 140 -4.952 3.236 -29.038 1.00 0.00 N ATOM 580 CA PRO A 140 -5.095 4.202 -27.944 1.00 0.00 C ATOM 581 C PRO A 140 -3.892 4.200 -27.008 1.00 0.00 C ATOM 582 O PRO A 140 -3.078 3.276 -27.028 1.00 0.00 O ATOM 583 CB PRO A 140 -6.347 3.720 -27.207 1.00 0.00 C ATOM 584 CG PRO A 140 -6.429 2.264 -27.512 1.00 0.00 C ATOM 585 CD PRO A 140 -5.879 2.100 -28.902 1.00 0.00 C ATOM 0 HA PRO A 140 -5.167 5.226 -28.311 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -6.267 3.896 -26.134 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -7.237 4.247 -27.551 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -5.853 1.682 -26.793 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -7.459 1.911 -27.456 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -5.366 1.146 -29.021 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -6.668 2.133 -29.653 1.00 0.00 H new ATOM 593 N LEU A 141 -3.785 5.240 -26.188 1.00 0.00 N ATOM 594 CA LEU A 141 -2.680 5.358 -25.243 1.00 0.00 C ATOM 595 C LEU A 141 -3.131 4.996 -23.831 1.00 0.00 C ATOM 596 O LEU A 141 -3.763 5.799 -23.145 1.00 0.00 O ATOM 597 CB LEU A 141 -2.117 6.781 -25.261 1.00 0.00 C ATOM 598 CG LEU A 141 -0.615 6.911 -25.005 1.00 0.00 C ATOM 599 CD1 LEU A 141 -0.104 8.253 -25.506 1.00 0.00 C ATOM 600 CD2 LEU A 141 -0.310 6.740 -23.525 1.00 0.00 C ATOM 0 H LEU A 141 -4.450 6.013 -26.159 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.899 4.661 -25.546 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -2.340 7.226 -26.230 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.646 7.369 -24.511 1.00 0.00 H new ATOM 0 HG LEU A 141 -0.101 6.122 -25.554 1.00 0.00 H new ATOM 0 HD11 LEU A 141 0.967 8.329 -25.316 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -0.289 8.336 -26.577 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -0.623 9.057 -24.985 1.00 0.00 H new ATOM 0 HD21 LEU A 141 0.763 6.836 -23.361 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -0.834 7.507 -22.955 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -0.641 5.755 -23.197 1.00 0.00 H new ATOM 612 N VAL A 142 -2.799 3.782 -23.403 1.00 0.00 N ATOM 613 CA VAL A 142 -3.166 3.314 -22.072 1.00 0.00 C ATOM 614 C VAL A 142 -2.109 3.700 -21.043 1.00 0.00 C ATOM 615 O VAL A 142 -1.090 3.024 -20.898 1.00 0.00 O ATOM 616 CB VAL A 142 -3.356 1.786 -22.047 1.00 0.00 C ATOM 617 CG1 VAL A 142 -3.618 1.304 -20.628 1.00 0.00 C ATOM 618 CG2 VAL A 142 -4.488 1.376 -22.976 1.00 0.00 C ATOM 0 H VAL A 142 -2.277 3.105 -23.959 1.00 0.00 H new ATOM 0 HA VAL A 142 -4.110 3.795 -21.817 1.00 0.00 H new ATOM 0 HB VAL A 142 -2.438 1.316 -22.401 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -3.750 0.222 -20.630 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -2.772 1.565 -19.993 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -4.521 1.779 -20.243 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -4.609 0.293 -22.946 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -5.414 1.853 -22.654 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -4.254 1.687 -23.994 1.00 0.00 H new ATOM 628 N THR A 143 -2.358 4.794 -20.328 1.00 0.00 N ATOM 629 CA THR A 143 -1.428 5.271 -19.313 1.00 0.00 C ATOM 630 C THR A 143 -1.656 4.562 -17.983 1.00 0.00 C ATOM 631 O THR A 143 -2.632 4.831 -17.282 1.00 0.00 O ATOM 632 CB THR A 143 -1.560 6.791 -19.101 1.00 0.00 C ATOM 633 OG1 THR A 143 -1.147 7.488 -20.281 1.00 0.00 O ATOM 634 CG2 THR A 143 -0.721 7.247 -17.916 1.00 0.00 C ATOM 0 H THR A 143 -3.196 5.365 -20.434 1.00 0.00 H new ATOM 0 HA THR A 143 -0.424 5.048 -19.673 1.00 0.00 H new ATOM 0 HB THR A 143 -2.606 7.017 -18.894 1.00 0.00 H new ATOM 0 HG1 THR A 143 -1.236 8.454 -20.139 1.00 0.00 H new ATOM 0 HG21 THR A 143 -0.830 8.324 -17.786 1.00 0.00 H new ATOM 0 HG22 THR A 143 -1.058 6.736 -17.014 1.00 0.00 H new ATOM 0 HG23 THR A 143 0.327 7.008 -18.099 1.00 0.00 H new ATOM 642 N LYS A 144 -0.748 3.655 -17.638 1.00 0.00 N ATOM 643 CA LYS A 144 -0.847 2.908 -16.390 1.00 0.00 C ATOM 644 C LYS A 144 -0.123 3.635 -15.262 1.00 0.00 C ATOM 645 O LYS A 144 1.033 4.031 -15.408 1.00 0.00 O ATOM 646 CB LYS A 144 -0.263 1.504 -16.564 1.00 0.00 C ATOM 647 CG LYS A 144 -0.759 0.790 -17.810 1.00 0.00 C ATOM 648 CD LYS A 144 -2.014 -0.018 -17.527 1.00 0.00 C ATOM 649 CE LYS A 144 -2.207 -1.126 -18.551 1.00 0.00 C ATOM 650 NZ LYS A 144 -1.552 -2.394 -18.127 1.00 0.00 N ATOM 0 H LYS A 144 0.066 3.420 -18.206 1.00 0.00 H new ATOM 0 HA LYS A 144 -1.902 2.826 -16.128 1.00 0.00 H new ATOM 0 HB2 LYS A 144 0.824 1.574 -16.604 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -0.512 0.905 -15.688 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -0.964 1.521 -18.592 1.00 0.00 H new ATOM 0 HG3 LYS A 144 0.022 0.130 -18.188 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -1.952 -0.451 -16.529 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -2.882 0.641 -17.535 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -3.272 -1.300 -18.701 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -1.798 -0.809 -19.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -0.760 -2.606 -18.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -1.195 -2.292 -17.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -2.243 -3.170 -18.162 1.00 0.00 H new ATOM 664 N MET A 145 -0.809 3.805 -14.136 1.00 0.00 N ATOM 665 CA MET A 145 -0.229 4.482 -12.982 1.00 0.00 C ATOM 666 C MET A 145 -0.953 4.086 -11.699 1.00 0.00 C ATOM 667 O MET A 145 -2.143 3.772 -11.718 1.00 0.00 O ATOM 668 CB MET A 145 -0.291 5.999 -13.169 1.00 0.00 C ATOM 669 CG MET A 145 -0.378 6.770 -11.862 1.00 0.00 C ATOM 670 SD MET A 145 -0.848 8.494 -12.102 1.00 0.00 S ATOM 671 CE MET A 145 -2.453 8.303 -12.874 1.00 0.00 C ATOM 0 H MET A 145 -1.767 3.483 -13.998 1.00 0.00 H new ATOM 0 HA MET A 145 0.814 4.176 -12.899 1.00 0.00 H new ATOM 0 HB2 MET A 145 0.594 6.326 -13.716 1.00 0.00 H new ATOM 0 HB3 MET A 145 -1.156 6.246 -13.785 1.00 0.00 H new ATOM 0 HG2 MET A 145 -1.104 6.287 -11.208 1.00 0.00 H new ATOM 0 HG3 MET A 145 0.586 6.728 -11.355 1.00 0.00 H new ATOM 0 HE1 MET A 145 -3.079 9.161 -12.629 1.00 0.00 H new ATOM 0 HE2 MET A 145 -2.331 8.239 -13.955 1.00 0.00 H new ATOM 0 HE3 MET A 145 -2.927 7.392 -12.508 1.00 0.00 H new ATOM 681 N CYS A 146 -0.226 4.102 -10.587 1.00 0.00 N ATOM 682 CA CYS A 146 -0.798 3.744 -9.294 1.00 0.00 C ATOM 683 C CYS A 146 -1.294 4.984 -8.556 1.00 0.00 C ATOM 684 O CYS A 146 -0.826 6.096 -8.804 1.00 0.00 O ATOM 685 CB CYS A 146 0.237 3.009 -8.441 1.00 0.00 C ATOM 686 SG CYS A 146 1.380 1.961 -9.397 1.00 0.00 S ATOM 0 H CYS A 146 0.761 4.359 -10.555 1.00 0.00 H new ATOM 0 HA CYS A 146 -1.648 3.084 -9.471 1.00 0.00 H new ATOM 0 HB2 CYS A 146 0.816 3.742 -7.880 1.00 0.00 H new ATOM 0 HB3 CYS A 146 -0.284 2.389 -7.712 1.00 0.00 H new ATOM 691 N HIS A 147 -2.244 4.785 -7.648 1.00 0.00 N ATOM 692 CA HIS A 147 -2.803 5.887 -6.873 1.00 0.00 C ATOM 693 C HIS A 147 -3.443 5.376 -5.585 1.00 0.00 C ATOM 694 O HIS A 147 -3.573 4.168 -5.383 1.00 0.00 O ATOM 695 CB HIS A 147 -3.837 6.649 -7.702 1.00 0.00 C ATOM 696 CG HIS A 147 -3.931 8.102 -7.354 1.00 0.00 C ATOM 697 ND1 HIS A 147 -4.929 8.622 -6.557 1.00 0.00 N ATOM 698 CD2 HIS A 147 -3.143 9.148 -7.697 1.00 0.00 C ATOM 699 CE1 HIS A 147 -4.752 9.925 -6.427 1.00 0.00 C ATOM 700 NE2 HIS A 147 -3.675 10.269 -7.109 1.00 0.00 N ATOM 0 H HIS A 147 -2.643 3.872 -7.431 1.00 0.00 H new ATOM 0 HA HIS A 147 -1.989 6.563 -6.611 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -3.586 6.552 -8.758 1.00 0.00 H new ATOM 0 HB3 HIS A 147 -4.814 6.187 -7.563 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -2.260 9.108 -8.318 1.00 0.00 H new ATOM 0 HE1 HIS A 147 -5.381 10.595 -5.859 1.00 0.00 H new ATOM 0 HE2 HIS A 147 -3.299 11.214 -7.186 1.00 0.00 H new ATOM 708 N ILE A 148 -3.840 6.302 -4.719 1.00 0.00 N ATOM 709 CA ILE A 148 -4.466 5.944 -3.453 1.00 0.00 C ATOM 710 C ILE A 148 -5.986 5.920 -3.578 1.00 0.00 C ATOM 711 O ILE A 148 -6.692 6.599 -2.835 1.00 0.00 O ATOM 712 CB ILE A 148 -4.071 6.925 -2.333 1.00 0.00 C ATOM 713 CG1 ILE A 148 -2.556 7.140 -2.325 1.00 0.00 C ATOM 714 CG2 ILE A 148 -4.545 6.406 -0.983 1.00 0.00 C ATOM 715 CD1 ILE A 148 -1.776 5.931 -1.855 1.00 0.00 C ATOM 0 H ILE A 148 -3.739 7.306 -4.871 1.00 0.00 H new ATOM 0 HA ILE A 148 -4.109 4.947 -3.196 1.00 0.00 H new ATOM 0 HB ILE A 148 -4.554 7.884 -2.522 1.00 0.00 H new ATOM 0 HG12 ILE A 148 -2.229 7.404 -3.331 1.00 0.00 H new ATOM 0 HG13 ILE A 148 -2.321 7.987 -1.681 1.00 0.00 H new ATOM 0 HG21 ILE A 148 -4.259 7.110 -0.202 1.00 0.00 H new ATOM 0 HG22 ILE A 148 -5.630 6.299 -0.995 1.00 0.00 H new ATOM 0 HG23 ILE A 148 -4.087 5.437 -0.784 1.00 0.00 H new ATOM 0 HD11 ILE A 148 -0.710 6.156 -1.875 1.00 0.00 H new ATOM 0 HD12 ILE A 148 -2.074 5.679 -0.837 1.00 0.00 H new ATOM 0 HD13 ILE A 148 -1.982 5.087 -2.513 1.00 0.00 H new ATOM 727 N GLY A 149 -6.483 5.129 -4.525 1.00 0.00 N ATOM 728 CA GLY A 149 -7.916 5.029 -4.730 1.00 0.00 C ATOM 729 C GLY A 149 -8.286 4.923 -6.196 1.00 0.00 C ATOM 730 O GLY A 149 -8.041 3.899 -6.834 1.00 0.00 O ATOM 0 H GLY A 149 -5.919 4.556 -5.153 1.00 0.00 H new ATOM 0 HA2 GLY A 149 -8.296 4.156 -4.199 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -8.404 5.903 -4.298 1.00 0.00 H new ATOM 734 N CYS A 150 -8.879 5.984 -6.733 1.00 0.00 N ATOM 735 CA CYS A 150 -9.286 6.007 -8.133 1.00 0.00 C ATOM 736 C CYS A 150 -9.600 7.430 -8.585 1.00 0.00 C ATOM 737 O CYS A 150 -10.748 7.876 -8.564 1.00 0.00 O ATOM 738 CB CYS A 150 -10.509 5.111 -8.345 1.00 0.00 C ATOM 739 SG CYS A 150 -11.108 5.066 -10.064 1.00 0.00 S ATOM 0 H CYS A 150 -9.089 6.840 -6.219 1.00 0.00 H new ATOM 0 HA CYS A 150 -8.458 5.629 -8.733 1.00 0.00 H new ATOM 0 HB2 CYS A 150 -10.262 4.097 -8.031 1.00 0.00 H new ATOM 0 HB3 CYS A 150 -11.316 5.457 -7.699 1.00 0.00 H new ATOM 917 N SER A 163 -11.369 6.459 -20.891 1.00 0.00 N ATOM 918 CA SER A 163 -11.598 5.225 -20.150 1.00 0.00 C ATOM 919 C SER A 163 -10.772 5.199 -18.868 1.00 0.00 C ATOM 920 O SER A 163 -9.602 5.584 -18.863 1.00 0.00 O ATOM 921 CB SER A 163 -11.252 4.013 -21.018 1.00 0.00 C ATOM 922 OG SER A 163 -12.034 2.887 -20.657 1.00 0.00 O ATOM 0 HA SER A 163 -12.654 5.182 -19.882 1.00 0.00 H new ATOM 0 HB2 SER A 163 -11.419 4.254 -22.068 1.00 0.00 H new ATOM 0 HB3 SER A 163 -10.194 3.775 -20.910 1.00 0.00 H new ATOM 0 HG SER A 163 -11.795 2.127 -21.227 1.00 0.00 H new ATOM 928 N ILE A 164 -11.389 4.743 -17.783 1.00 0.00 N ATOM 929 CA ILE A 164 -10.711 4.666 -16.495 1.00 0.00 C ATOM 930 C ILE A 164 -11.112 3.405 -15.738 1.00 0.00 C ATOM 931 O ILE A 164 -12.297 3.114 -15.579 1.00 0.00 O ATOM 932 CB ILE A 164 -11.021 5.896 -15.622 1.00 0.00 C ATOM 933 CG1 ILE A 164 -10.602 7.180 -16.342 1.00 0.00 C ATOM 934 CG2 ILE A 164 -10.317 5.783 -14.278 1.00 0.00 C ATOM 935 CD1 ILE A 164 -11.007 8.442 -15.613 1.00 0.00 C ATOM 0 H ILE A 164 -12.357 4.421 -17.770 1.00 0.00 H new ATOM 0 HA ILE A 164 -9.641 4.638 -16.702 1.00 0.00 H new ATOM 0 HB ILE A 164 -12.096 5.935 -15.446 1.00 0.00 H new ATOM 0 HG12 ILE A 164 -9.520 7.177 -16.472 1.00 0.00 H new ATOM 0 HG13 ILE A 164 -11.043 7.188 -17.339 1.00 0.00 H new ATOM 0 HG21 ILE A 164 -10.546 6.660 -13.672 1.00 0.00 H new ATOM 0 HG22 ILE A 164 -10.660 4.886 -13.762 1.00 0.00 H new ATOM 0 HG23 ILE A 164 -9.240 5.722 -14.435 1.00 0.00 H new ATOM 0 HD11 ILE A 164 -10.677 9.312 -16.181 1.00 0.00 H new ATOM 0 HD12 ILE A 164 -12.091 8.468 -15.506 1.00 0.00 H new ATOM 0 HD13 ILE A 164 -10.544 8.457 -14.626 1.00 0.00 H new ATOM 947 N ALA A 165 -10.115 2.661 -15.270 1.00 0.00 N ATOM 948 CA ALA A 165 -10.364 1.432 -14.525 1.00 0.00 C ATOM 949 C ALA A 165 -9.404 1.301 -13.348 1.00 0.00 C ATOM 950 O ALA A 165 -8.208 1.071 -13.531 1.00 0.00 O ATOM 951 CB ALA A 165 -10.244 0.225 -15.443 1.00 0.00 C ATOM 0 H ALA A 165 -9.128 2.887 -15.393 1.00 0.00 H new ATOM 0 HA ALA A 165 -11.379 1.474 -14.130 1.00 0.00 H new ATOM 0 HB1 ALA A 165 -10.432 -0.685 -14.874 1.00 0.00 H new ATOM 0 HB2 ALA A 165 -10.974 0.307 -16.249 1.00 0.00 H new ATOM 0 HB3 ALA A 165 -9.240 0.188 -15.865 1.00 0.00 H new ATOM 957 N CYS A 166 -9.934 1.449 -12.138 1.00 0.00 N ATOM 958 CA CYS A 166 -9.125 1.348 -10.930 1.00 0.00 C ATOM 959 C CYS A 166 -9.467 0.081 -10.151 1.00 0.00 C ATOM 960 O CYS A 166 -10.529 -0.511 -10.342 1.00 0.00 O ATOM 961 CB CYS A 166 -9.337 2.577 -10.045 1.00 0.00 C ATOM 962 SG CYS A 166 -9.410 4.150 -10.961 1.00 0.00 S ATOM 0 H CYS A 166 -10.922 1.640 -11.969 1.00 0.00 H new ATOM 0 HA CYS A 166 -8.077 1.299 -11.227 1.00 0.00 H new ATOM 0 HB2 CYS A 166 -10.263 2.452 -9.484 1.00 0.00 H new ATOM 0 HB3 CYS A 166 -8.528 2.631 -9.316 1.00 0.00 H new ATOM 967 N CYS A 167 -8.559 -0.329 -9.271 1.00 0.00 N ATOM 968 CA CYS A 167 -8.762 -1.525 -8.463 1.00 0.00 C ATOM 969 C CYS A 167 -7.701 -1.630 -7.371 1.00 0.00 C ATOM 970 O CYS A 167 -6.564 -1.196 -7.553 1.00 0.00 O ATOM 971 CB CYS A 167 -8.728 -2.774 -9.345 1.00 0.00 C ATOM 972 SG CYS A 167 -7.680 -2.610 -10.826 1.00 0.00 S ATOM 0 H CYS A 167 -7.675 0.150 -9.100 1.00 0.00 H new ATOM 0 HA CYS A 167 -9.740 -1.451 -7.988 1.00 0.00 H new ATOM 0 HB2 CYS A 167 -8.370 -3.615 -8.751 1.00 0.00 H new ATOM 0 HB3 CYS A 167 -9.745 -3.013 -9.657 1.00 0.00 H new ATOM 977 N GLN A 168 -8.082 -2.210 -6.237 1.00 0.00 N ATOM 978 CA GLN A 168 -7.163 -2.372 -5.116 1.00 0.00 C ATOM 979 C GLN A 168 -6.438 -3.711 -5.196 1.00 0.00 C ATOM 980 O GLN A 168 -6.316 -4.424 -4.200 1.00 0.00 O ATOM 981 CB GLN A 168 -7.919 -2.266 -3.791 1.00 0.00 C ATOM 982 CG GLN A 168 -8.960 -3.357 -3.595 1.00 0.00 C ATOM 983 CD GLN A 168 -10.323 -2.967 -4.130 1.00 0.00 C ATOM 984 OE1 GLN A 168 -10.587 -3.075 -5.328 1.00 0.00 O ATOM 985 NE2 GLN A 168 -11.199 -2.510 -3.243 1.00 0.00 N ATOM 0 H GLN A 168 -9.020 -2.575 -6.070 1.00 0.00 H new ATOM 0 HA GLN A 168 -6.422 -1.575 -5.168 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -7.203 -2.307 -2.970 1.00 0.00 H new ATOM 0 HB3 GLN A 168 -8.409 -1.294 -3.739 1.00 0.00 H new ATOM 0 HG2 GLN A 168 -8.625 -4.267 -4.093 1.00 0.00 H new ATOM 0 HG3 GLN A 168 -9.043 -3.588 -2.533 1.00 0.00 H new ATOM 0 HE21 GLN A 168 -10.938 -2.437 -2.260 1.00 0.00 H new ATOM 0 HE22 GLN A 168 -12.133 -2.232 -3.545 1.00 0.00 H new ATOM 994 N THR A 169 -5.956 -4.047 -6.389 1.00 0.00 N ATOM 995 CA THR A 169 -5.244 -5.301 -6.599 1.00 0.00 C ATOM 996 C THR A 169 -3.939 -5.072 -7.353 1.00 0.00 C ATOM 997 O THR A 169 -3.890 -4.299 -8.309 1.00 0.00 O ATOM 998 CB THR A 169 -6.104 -6.312 -7.381 1.00 0.00 C ATOM 999 OG1 THR A 169 -7.073 -5.619 -8.176 1.00 0.00 O ATOM 1000 CG2 THR A 169 -6.810 -7.269 -6.432 1.00 0.00 C ATOM 0 H THR A 169 -6.046 -3.468 -7.224 1.00 0.00 H new ATOM 0 HA THR A 169 -5.025 -5.709 -5.612 1.00 0.00 H new ATOM 0 HB THR A 169 -5.447 -6.889 -8.031 1.00 0.00 H new ATOM 0 HG1 THR A 169 -7.615 -6.268 -8.671 1.00 0.00 H new ATOM 0 HG21 THR A 169 -7.411 -7.974 -7.007 1.00 0.00 H new ATOM 0 HG22 THR A 169 -6.069 -7.816 -5.849 1.00 0.00 H new ATOM 0 HG23 THR A 169 -7.456 -6.704 -5.760 1.00 0.00 H new ATOM 1008 N SER A 170 -2.882 -5.750 -6.916 1.00 0.00 N ATOM 1009 CA SER A 170 -1.574 -5.618 -7.549 1.00 0.00 C ATOM 1010 C SER A 170 -1.636 -6.032 -9.016 1.00 0.00 C ATOM 1011 O SER A 170 -2.206 -7.069 -9.357 1.00 0.00 O ATOM 1012 CB SER A 170 -0.539 -6.468 -6.810 1.00 0.00 C ATOM 1013 OG SER A 170 -0.590 -7.819 -7.237 1.00 0.00 O ATOM 0 H SER A 170 -2.906 -6.396 -6.127 1.00 0.00 H new ATOM 0 HA SER A 170 -1.277 -4.571 -7.498 1.00 0.00 H new ATOM 0 HB2 SER A 170 0.459 -6.065 -6.985 1.00 0.00 H new ATOM 0 HB3 SER A 170 -0.720 -6.415 -5.736 1.00 0.00 H new ATOM 0 HG SER A 170 0.082 -8.341 -6.751 1.00 0.00 H new ATOM 1019 N LEU A 171 -1.046 -5.213 -9.880 1.00 0.00 N ATOM 1020 CA LEU A 171 -1.033 -5.492 -11.312 1.00 0.00 C ATOM 1021 C LEU A 171 -2.439 -5.791 -11.821 1.00 0.00 C ATOM 1022 O LEU A 171 -2.627 -6.635 -12.699 1.00 0.00 O ATOM 1023 CB LEU A 171 -0.107 -6.672 -11.613 1.00 0.00 C ATOM 1024 CG LEU A 171 1.360 -6.492 -11.221 1.00 0.00 C ATOM 1025 CD1 LEU A 171 2.070 -7.836 -11.177 1.00 0.00 C ATOM 1026 CD2 LEU A 171 2.058 -5.549 -12.190 1.00 0.00 C ATOM 0 H LEU A 171 -0.571 -4.351 -9.614 1.00 0.00 H new ATOM 0 HA LEU A 171 -0.661 -4.606 -11.827 1.00 0.00 H new ATOM 0 HB2 LEU A 171 -0.494 -7.552 -11.099 1.00 0.00 H new ATOM 0 HB3 LEU A 171 -0.154 -6.881 -12.682 1.00 0.00 H new ATOM 0 HG LEU A 171 1.399 -6.052 -10.225 1.00 0.00 H new ATOM 0 HD11 LEU A 171 3.113 -7.688 -10.896 1.00 0.00 H new ATOM 0 HD12 LEU A 171 1.585 -8.480 -10.443 1.00 0.00 H new ATOM 0 HD13 LEU A 171 2.022 -8.305 -12.160 1.00 0.00 H new ATOM 0 HD21 LEU A 171 3.101 -5.432 -11.896 1.00 0.00 H new ATOM 0 HD22 LEU A 171 2.009 -5.961 -13.198 1.00 0.00 H new ATOM 0 HD23 LEU A 171 1.565 -4.577 -12.171 1.00 0.00 H new ATOM 1038 N CYS A 172 -3.425 -5.093 -11.267 1.00 0.00 N ATOM 1039 CA CYS A 172 -4.814 -5.282 -11.666 1.00 0.00 C ATOM 1040 C CYS A 172 -5.132 -4.480 -12.925 1.00 0.00 C ATOM 1041 O CYS A 172 -6.291 -4.172 -13.200 1.00 0.00 O ATOM 1042 CB CYS A 172 -5.753 -4.865 -10.532 1.00 0.00 C ATOM 1043 SG CYS A 172 -5.887 -3.063 -10.302 1.00 0.00 S ATOM 0 H CYS A 172 -3.287 -4.391 -10.540 1.00 0.00 H new ATOM 0 HA CYS A 172 -4.963 -6.340 -11.883 1.00 0.00 H new ATOM 0 HB2 CYS A 172 -6.746 -5.270 -10.729 1.00 0.00 H new ATOM 0 HB3 CYS A 172 -5.404 -5.314 -9.602 1.00 0.00 H new ATOM 1048 N ASN A 173 -4.095 -4.147 -13.685 1.00 0.00 N ATOM 1049 CA ASN A 173 -4.263 -3.381 -14.915 1.00 0.00 C ATOM 1050 C ASN A 173 -4.174 -4.289 -16.138 1.00 0.00 C ATOM 1051 O ASN A 173 -4.361 -3.844 -17.270 1.00 0.00 O ATOM 1052 CB ASN A 173 -3.203 -2.281 -15.005 1.00 0.00 C ATOM 1053 CG ASN A 173 -3.094 -1.477 -13.724 1.00 0.00 C ATOM 1054 OD1 ASN A 173 -3.962 -1.554 -12.854 1.00 0.00 O ATOM 1055 ND2 ASN A 173 -2.024 -0.700 -13.602 1.00 0.00 N ATOM 0 H ASN A 173 -3.129 -4.395 -13.471 1.00 0.00 H new ATOM 0 HA ASN A 173 -5.252 -2.923 -14.895 1.00 0.00 H new ATOM 0 HB2 ASN A 173 -2.236 -2.730 -15.232 1.00 0.00 H new ATOM 0 HB3 ASN A 173 -3.446 -1.612 -15.831 1.00 0.00 H new ATOM 0 HD21 ASN A 173 -1.896 -0.136 -12.762 1.00 0.00 H new ATOM 0 HD22 ASN A 173 -1.330 -0.667 -14.348 1.00 0.00 H new ATOM 1062 N HIS A 174 -3.888 -5.566 -15.901 1.00 0.00 N ATOM 1063 CA HIS A 174 -3.776 -6.538 -16.982 1.00 0.00 C ATOM 1064 C HIS A 174 -5.112 -6.711 -17.698 1.00 0.00 C ATOM 1065 O HIS A 174 -6.074 -5.993 -17.421 1.00 0.00 O ATOM 1066 CB HIS A 174 -3.298 -7.884 -16.439 1.00 0.00 C ATOM 1067 CG HIS A 174 -4.188 -8.452 -15.377 1.00 0.00 C ATOM 1068 ND1 HIS A 174 -5.524 -8.726 -15.582 1.00 0.00 N ATOM 1069 CD2 HIS A 174 -3.927 -8.800 -14.095 1.00 0.00 C ATOM 1070 CE1 HIS A 174 -6.046 -9.215 -14.472 1.00 0.00 C ATOM 1071 NE2 HIS A 174 -5.098 -9.271 -13.555 1.00 0.00 N ATOM 0 H HIS A 174 -3.730 -5.951 -14.970 1.00 0.00 H new ATOM 0 HA HIS A 174 -3.045 -6.164 -17.699 1.00 0.00 H new ATOM 0 HB2 HIS A 174 -3.229 -8.595 -17.262 1.00 0.00 H new ATOM 0 HB3 HIS A 174 -2.293 -7.767 -16.034 1.00 0.00 H new ATOM 0 HD2 HIS A 174 -2.975 -8.722 -13.591 1.00 0.00 H new ATOM 0 HE1 HIS A 174 -7.074 -9.518 -14.337 1.00 0.00 H new ATOM 0 HE2 HIS A 174 -5.216 -9.609 -12.600 1.00 0.00 H new ATOM 1079 N ASP A 175 -5.164 -7.665 -18.621 1.00 0.00 N ATOM 1080 CA ASP A 175 -6.383 -7.932 -19.376 1.00 0.00 C ATOM 1081 C ASP A 175 -7.207 -9.029 -18.709 1.00 0.00 C ATOM 1082 O ASP A 175 -6.714 -10.132 -18.471 1.00 0.00 O ATOM 1083 CB ASP A 175 -6.040 -8.337 -20.811 1.00 0.00 C ATOM 1084 CG ASP A 175 -5.800 -7.139 -21.709 1.00 0.00 C ATOM 1085 OD1 ASP A 175 -6.702 -6.282 -21.807 1.00 0.00 O ATOM 1086 OD2 ASP A 175 -4.710 -7.059 -22.314 1.00 0.00 O ATOM 0 H ASP A 175 -4.377 -8.266 -18.864 1.00 0.00 H new ATOM 0 HA ASP A 175 -6.976 -7.018 -19.395 1.00 0.00 H new ATOM 0 HB2 ASP A 175 -5.150 -8.967 -20.805 1.00 0.00 H new ATOM 0 HB3 ASP A 175 -6.853 -8.937 -21.220 1.00 0.00 H new