USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=14 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 Set 1.1: A 104 HIS : no HD1:sc= -1.21 K(o=-1.5,f=-5.1) USER MOD Set 1.2: A 174 HIS : no HD1:sc= -0.277 K(o=-1.5,f=-2.1) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.0063) 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= -0.202 X(o=-0.2,f=-0.058) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 30:sc= -0.0466! USER MOD Single : A 123 THR OG1 : rot -79:sc= 0.0642 USER MOD Single : A 124 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-2.8) USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot -47:sc= 0.623 USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 144 LYS NZ :NH3+ -170:sc= -1.32 (180deg=-1.56) USER MOD Single : A 145 MET CE :methyl -111:sc= -0.246 (180deg=-1.01) USER MOD Single : A 147 HIS : no HD1:sc= -0.362 X(o=-0.36,f=-0.13) USER MOD Single : A 163 SER OG : rot 180:sc= 0 USER MOD Single : A 168 GLN : amide:sc= -1.05 K(o=-1,f=-3.1!) USER MOD Single : A 169 THR OG1 : rot 180:sc= -1.36 USER MOD Single : A 170 SER OG : rot 180:sc= 0 USER MOD Single : A 173 ASN : amide:sc= -1.26 K(o=-1.3,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 100 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 100 2.093 -0.001 -1.242 1.00 0.00 C ATOM 3 C MET A 100 2.100 -1.388 -1.875 1.00 0.00 C ATOM 4 O MET A 100 2.326 -2.390 -1.195 1.00 0.00 O ATOM 5 CB MET A 100 3.528 0.462 -0.984 1.00 0.00 C ATOM 6 CG MET A 100 4.375 -0.566 -0.252 1.00 0.00 C ATOM 7 SD MET A 100 6.031 0.040 0.124 1.00 0.00 S ATOM 8 CE MET A 100 6.240 -0.561 1.799 1.00 0.00 C ATOM 0 HA MET A 100 1.614 0.692 -1.934 1.00 0.00 H new ATOM 0 HB2 MET A 100 4.002 0.699 -1.937 1.00 0.00 H new ATOM 0 HB3 MET A 100 3.505 1.383 -0.402 1.00 0.00 H new ATOM 0 HG2 MET A 100 3.876 -0.848 0.675 1.00 0.00 H new ATOM 0 HG3 MET A 100 4.451 -1.467 -0.860 1.00 0.00 H new ATOM 0 HE1 MET A 100 7.220 -0.265 2.172 1.00 0.00 H new ATOM 0 HE2 MET A 100 5.465 -0.136 2.437 1.00 0.00 H new ATOM 0 HE3 MET A 100 6.162 -1.648 1.808 1.00 0.00 H new ATOM 18 N ILE A 101 1.850 -1.440 -3.179 1.00 0.00 N ATOM 19 CA ILE A 101 1.829 -2.705 -3.903 1.00 0.00 C ATOM 20 C ILE A 101 2.439 -2.554 -5.292 1.00 0.00 C ATOM 21 O ILE A 101 2.808 -1.454 -5.703 1.00 0.00 O ATOM 22 CB ILE A 101 0.395 -3.251 -4.041 1.00 0.00 C ATOM 23 CG1 ILE A 101 -0.351 -2.510 -5.154 1.00 0.00 C ATOM 24 CG2 ILE A 101 -0.350 -3.123 -2.721 1.00 0.00 C ATOM 25 CD1 ILE A 101 -1.838 -2.784 -5.170 1.00 0.00 C ATOM 0 H ILE A 101 1.659 -0.621 -3.756 1.00 0.00 H new ATOM 0 HA ILE A 101 2.424 -3.410 -3.323 1.00 0.00 H new ATOM 0 HB ILE A 101 0.448 -4.307 -4.305 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -0.188 -1.438 -5.038 1.00 0.00 H new ATOM 0 HG13 ILE A 101 0.073 -2.795 -6.117 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -1.361 -3.513 -2.835 1.00 0.00 H new ATOM 0 HG22 ILE A 101 0.173 -3.690 -1.951 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.396 -2.074 -2.430 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -2.302 -2.227 -5.984 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -2.010 -3.850 -5.316 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -2.276 -2.473 -4.221 1.00 0.00 H new ATOM 37 N TRP A 102 2.541 -3.666 -6.011 1.00 0.00 N ATOM 38 CA TRP A 102 3.105 -3.657 -7.356 1.00 0.00 C ATOM 39 C TRP A 102 2.003 -3.671 -8.409 1.00 0.00 C ATOM 40 O TRP A 102 1.027 -4.413 -8.291 1.00 0.00 O ATOM 41 CB TRP A 102 4.029 -4.861 -7.552 1.00 0.00 C ATOM 42 CG TRP A 102 5.207 -4.862 -6.626 1.00 0.00 C ATOM 43 CD1 TRP A 102 5.183 -5.012 -5.269 1.00 0.00 C ATOM 44 CD2 TRP A 102 6.583 -4.704 -6.989 1.00 0.00 C ATOM 45 NE1 TRP A 102 6.461 -4.957 -4.766 1.00 0.00 N ATOM 46 CE2 TRP A 102 7.338 -4.770 -5.802 1.00 0.00 C ATOM 47 CE3 TRP A 102 7.251 -4.516 -8.202 1.00 0.00 C ATOM 48 CZ2 TRP A 102 8.725 -4.652 -5.794 1.00 0.00 C ATOM 49 CZ3 TRP A 102 8.628 -4.400 -8.193 1.00 0.00 C ATOM 50 CH2 TRP A 102 9.353 -4.469 -6.996 1.00 0.00 C ATOM 0 H TRP A 102 2.241 -4.585 -5.685 1.00 0.00 H new ATOM 0 HA TRP A 102 3.683 -2.740 -7.474 1.00 0.00 H new ATOM 0 HB2 TRP A 102 3.457 -5.777 -7.402 1.00 0.00 H new ATOM 0 HB3 TRP A 102 4.385 -4.873 -8.582 1.00 0.00 H new ATOM 0 HD1 TRP A 102 4.290 -5.153 -4.677 1.00 0.00 H new ATOM 0 HE1 TRP A 102 6.715 -5.042 -3.782 1.00 0.00 H new ATOM 0 HE3 TRP A 102 6.701 -4.462 -9.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 9.285 -4.703 -4.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 9.154 -4.254 -9.125 1.00 0.00 H new ATOM 0 HH2 TRP A 102 10.429 -4.376 -7.023 1.00 0.00 H new ATOM 61 N CYS A 103 2.163 -2.846 -9.438 1.00 0.00 N ATOM 62 CA CYS A 103 1.181 -2.762 -10.513 1.00 0.00 C ATOM 63 C CYS A 103 1.861 -2.482 -11.850 1.00 0.00 C ATOM 64 O CYS A 103 3.088 -2.499 -11.951 1.00 0.00 O ATOM 65 CB CYS A 103 0.155 -1.669 -10.210 1.00 0.00 C ATOM 66 SG CYS A 103 -0.689 -1.864 -8.608 1.00 0.00 S ATOM 0 H CYS A 103 2.964 -2.225 -9.550 1.00 0.00 H new ATOM 0 HA CYS A 103 0.669 -3.722 -10.580 1.00 0.00 H new ATOM 0 HB2 CYS A 103 0.655 -0.701 -10.229 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -0.593 -1.657 -11.003 1.00 0.00 H new ATOM 71 N HIS A 104 1.054 -2.223 -12.875 1.00 0.00 N ATOM 72 CA HIS A 104 1.577 -1.938 -14.206 1.00 0.00 C ATOM 73 C HIS A 104 1.684 -0.433 -14.437 1.00 0.00 C ATOM 74 O HIS A 104 0.702 0.295 -14.298 1.00 0.00 O ATOM 75 CB HIS A 104 0.682 -2.567 -15.274 1.00 0.00 C ATOM 76 CG HIS A 104 0.827 -4.054 -15.377 1.00 0.00 C ATOM 77 ND1 HIS A 104 2.030 -4.706 -15.207 1.00 0.00 N ATOM 78 CD2 HIS A 104 -0.088 -5.018 -15.633 1.00 0.00 C ATOM 79 CE1 HIS A 104 1.849 -6.007 -15.355 1.00 0.00 C ATOM 80 NE2 HIS A 104 0.571 -6.222 -15.614 1.00 0.00 N ATOM 0 H HIS A 104 0.036 -2.205 -12.809 1.00 0.00 H new ATOM 0 HA HIS A 104 2.575 -2.371 -14.278 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -0.358 -2.326 -15.053 1.00 0.00 H new ATOM 0 HB3 HIS A 104 0.914 -2.120 -16.240 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -1.141 -4.868 -15.818 1.00 0.00 H new ATOM 0 HE1 HIS A 104 2.615 -6.765 -15.278 1.00 0.00 H new ATOM 0 HE2 HIS A 104 0.144 -7.134 -15.774 1.00 0.00 H new ATOM 88 N GLN A 105 2.881 0.023 -14.788 1.00 0.00 N ATOM 89 CA GLN A 105 3.115 1.441 -15.035 1.00 0.00 C ATOM 90 C GLN A 105 3.615 1.670 -16.458 1.00 0.00 C ATOM 91 O GLN A 105 4.537 2.453 -16.685 1.00 0.00 O ATOM 92 CB GLN A 105 4.128 1.995 -14.032 1.00 0.00 C ATOM 93 CG GLN A 105 3.491 2.541 -12.764 1.00 0.00 C ATOM 94 CD GLN A 105 4.384 2.385 -11.549 1.00 0.00 C ATOM 95 OE1 GLN A 105 5.333 3.146 -11.359 1.00 0.00 O ATOM 96 NE2 GLN A 105 4.084 1.394 -10.717 1.00 0.00 N ATOM 0 H GLN A 105 3.704 -0.568 -14.908 1.00 0.00 H new ATOM 0 HA GLN A 105 2.168 1.966 -14.912 1.00 0.00 H new ATOM 0 HB2 GLN A 105 4.831 1.206 -13.765 1.00 0.00 H new ATOM 0 HB3 GLN A 105 4.704 2.787 -14.510 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.257 3.596 -12.905 1.00 0.00 H new ATOM 0 HG3 GLN A 105 2.547 2.026 -12.585 1.00 0.00 H new ATOM 0 HE21 GLN A 105 3.288 0.787 -10.913 1.00 0.00 H new ATOM 0 HE22 GLN A 105 4.649 1.240 -9.882 1.00 0.00 H new ATOM 105 N CYS A 106 2.999 0.981 -17.414 1.00 0.00 N ATOM 106 CA CYS A 106 3.381 1.108 -18.815 1.00 0.00 C ATOM 107 C CYS A 106 2.755 2.352 -19.439 1.00 0.00 C ATOM 108 O CYS A 106 1.835 2.948 -18.876 1.00 0.00 O ATOM 109 CB CYS A 106 2.955 -0.137 -19.596 1.00 0.00 C ATOM 110 SG CYS A 106 4.033 -0.533 -21.010 1.00 0.00 S ATOM 0 H CYS A 106 2.233 0.329 -17.243 1.00 0.00 H new ATOM 0 HA CYS A 106 4.466 1.206 -18.863 1.00 0.00 H new ATOM 0 HB2 CYS A 106 2.936 -0.990 -18.917 1.00 0.00 H new ATOM 0 HB3 CYS A 106 1.937 0.005 -19.958 1.00 0.00 H new ATOM 115 N THR A 107 3.259 2.739 -20.607 1.00 0.00 N ATOM 116 CA THR A 107 2.750 3.912 -21.307 1.00 0.00 C ATOM 117 C THR A 107 1.441 3.600 -22.023 1.00 0.00 C ATOM 118 O THR A 107 0.431 4.268 -21.808 1.00 0.00 O ATOM 119 CB THR A 107 3.771 4.439 -22.334 1.00 0.00 C ATOM 120 OG1 THR A 107 5.096 4.347 -21.799 1.00 0.00 O ATOM 121 CG2 THR A 107 3.467 5.882 -22.707 1.00 0.00 C ATOM 0 H THR A 107 4.019 2.257 -21.088 1.00 0.00 H new ATOM 0 HA THR A 107 2.574 4.679 -20.553 1.00 0.00 H new ATOM 0 HB THR A 107 3.700 3.826 -23.232 1.00 0.00 H new ATOM 0 HG1 THR A 107 5.739 4.682 -22.458 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.201 6.232 -23.433 1.00 0.00 H new ATOM 0 HG22 THR A 107 2.469 5.943 -23.141 1.00 0.00 H new ATOM 0 HG23 THR A 107 3.513 6.506 -21.814 1.00 0.00 H new ATOM 129 N GLY A 108 1.466 2.579 -22.875 1.00 0.00 N ATOM 130 CA GLY A 108 0.274 2.197 -23.608 1.00 0.00 C ATOM 131 C GLY A 108 0.596 1.543 -24.938 1.00 0.00 C ATOM 132 O GLY A 108 1.192 0.467 -24.980 1.00 0.00 O ATOM 0 H GLY A 108 2.290 2.010 -23.070 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -0.317 1.510 -23.002 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -0.342 3.080 -23.780 1.00 0.00 H new ATOM 136 N PHE A 109 0.199 2.193 -26.026 1.00 0.00 N ATOM 137 CA PHE A 109 0.447 1.667 -27.364 1.00 0.00 C ATOM 138 C PHE A 109 -0.268 0.335 -27.565 1.00 0.00 C ATOM 139 O PHE A 109 0.278 -0.591 -28.164 1.00 0.00 O ATOM 140 CB PHE A 109 1.949 1.493 -27.596 1.00 0.00 C ATOM 141 CG PHE A 109 2.747 2.736 -27.320 1.00 0.00 C ATOM 142 CD1 PHE A 109 2.534 3.890 -28.056 1.00 0.00 C ATOM 143 CD2 PHE A 109 3.710 2.749 -26.324 1.00 0.00 C ATOM 144 CE1 PHE A 109 3.265 5.035 -27.804 1.00 0.00 C ATOM 145 CE2 PHE A 109 4.444 3.892 -26.067 1.00 0.00 C ATOM 146 CZ PHE A 109 4.223 5.035 -26.809 1.00 0.00 C ATOM 0 H PHE A 109 -0.296 3.085 -26.008 1.00 0.00 H new ATOM 0 HA PHE A 109 0.055 2.382 -28.087 1.00 0.00 H new ATOM 0 HB2 PHE A 109 2.316 0.687 -26.960 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.116 1.186 -28.628 1.00 0.00 H new ATOM 0 HD1 PHE A 109 1.787 3.895 -28.836 1.00 0.00 H new ATOM 0 HD2 PHE A 109 3.889 1.857 -25.742 1.00 0.00 H new ATOM 0 HE1 PHE A 109 3.088 5.929 -28.384 1.00 0.00 H new ATOM 0 HE2 PHE A 109 5.190 3.891 -25.286 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.798 5.928 -26.612 1.00 0.00 H new ATOM 156 N GLY A 110 -1.494 0.245 -27.059 1.00 0.00 N ATOM 157 CA GLY A 110 -2.265 -0.978 -27.192 1.00 0.00 C ATOM 158 C GLY A 110 -2.590 -1.607 -25.852 1.00 0.00 C ATOM 159 O GLY A 110 -3.516 -2.409 -25.744 1.00 0.00 O ATOM 0 H GLY A 110 -1.968 0.997 -26.559 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -3.192 -0.763 -27.724 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -1.707 -1.691 -27.799 1.00 0.00 H new ATOM 163 N GLY A 111 -1.824 -1.244 -24.827 1.00 0.00 N ATOM 164 CA GLY A 111 -2.051 -1.789 -23.502 1.00 0.00 C ATOM 165 C GLY A 111 -0.914 -2.678 -23.039 1.00 0.00 C ATOM 166 O GLY A 111 -1.142 -3.736 -22.452 1.00 0.00 O ATOM 0 H GLY A 111 -1.051 -0.582 -24.891 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -2.181 -0.971 -22.793 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -2.979 -2.361 -23.502 1.00 0.00 H new ATOM 170 N CYS A 112 0.316 -2.249 -23.304 1.00 0.00 N ATOM 171 CA CYS A 112 1.494 -3.014 -22.912 1.00 0.00 C ATOM 172 C CYS A 112 1.478 -3.310 -21.415 1.00 0.00 C ATOM 173 O CYS A 112 0.584 -2.867 -20.694 1.00 0.00 O ATOM 174 CB CYS A 112 2.768 -2.251 -23.279 1.00 0.00 C ATOM 175 SG CYS A 112 2.852 -0.568 -22.586 1.00 0.00 S ATOM 0 H CYS A 112 0.523 -1.376 -23.789 1.00 0.00 H new ATOM 0 HA CYS A 112 1.477 -3.961 -23.451 1.00 0.00 H new ATOM 0 HB2 CYS A 112 3.631 -2.819 -22.932 1.00 0.00 H new ATOM 0 HB3 CYS A 112 2.842 -2.190 -24.365 1.00 0.00 H new ATOM 180 N SER A 113 2.473 -4.062 -20.956 1.00 0.00 N ATOM 181 CA SER A 113 2.572 -4.420 -19.546 1.00 0.00 C ATOM 182 C SER A 113 3.952 -4.077 -18.994 1.00 0.00 C ATOM 183 O SER A 113 4.931 -4.004 -19.738 1.00 0.00 O ATOM 184 CB SER A 113 2.291 -5.912 -19.356 1.00 0.00 C ATOM 185 OG SER A 113 3.345 -6.700 -19.882 1.00 0.00 O ATOM 0 H SER A 113 3.222 -4.435 -21.540 1.00 0.00 H new ATOM 0 HA SER A 113 1.827 -3.844 -18.997 1.00 0.00 H new ATOM 0 HB2 SER A 113 2.164 -6.129 -18.295 1.00 0.00 H new ATOM 0 HB3 SER A 113 1.355 -6.175 -19.849 1.00 0.00 H new ATOM 0 HG SER A 113 3.143 -7.649 -19.747 1.00 0.00 H new ATOM 191 N HIS A 114 4.023 -3.866 -17.683 1.00 0.00 N ATOM 192 CA HIS A 114 5.283 -3.531 -17.029 1.00 0.00 C ATOM 193 C HIS A 114 5.108 -3.466 -15.515 1.00 0.00 C ATOM 194 O HIS A 114 4.762 -2.422 -14.964 1.00 0.00 O ATOM 195 CB HIS A 114 5.813 -2.195 -17.551 1.00 0.00 C ATOM 196 CG HIS A 114 7.302 -2.065 -17.460 1.00 0.00 C ATOM 197 ND1 HIS A 114 7.957 -0.854 -17.539 1.00 0.00 N ATOM 198 CD2 HIS A 114 8.264 -3.002 -17.293 1.00 0.00 C ATOM 199 CE1 HIS A 114 9.259 -1.052 -17.426 1.00 0.00 C ATOM 200 NE2 HIS A 114 9.471 -2.347 -17.276 1.00 0.00 N ATOM 0 H HIS A 114 3.223 -3.921 -17.053 1.00 0.00 H new ATOM 0 HA HIS A 114 6.004 -4.315 -17.260 1.00 0.00 H new ATOM 0 HB2 HIS A 114 5.509 -2.074 -18.591 1.00 0.00 H new ATOM 0 HB3 HIS A 114 5.351 -1.385 -16.987 1.00 0.00 H new ATOM 0 HD2 HIS A 114 8.111 -4.066 -17.192 1.00 0.00 H new ATOM 0 HE1 HIS A 114 10.020 -0.286 -17.452 1.00 0.00 H new ATOM 0 HE2 HIS A 114 10.384 -2.789 -17.165 1.00 0.00 H new ATOM 208 N GLY A 115 5.351 -4.590 -14.847 1.00 0.00 N ATOM 209 CA GLY A 115 5.214 -4.639 -13.403 1.00 0.00 C ATOM 210 C GLY A 115 6.251 -3.790 -12.694 1.00 0.00 C ATOM 211 O GLY A 115 7.425 -4.155 -12.633 1.00 0.00 O ATOM 0 H GLY A 115 5.640 -5.467 -15.280 1.00 0.00 H new ATOM 0 HA2 GLY A 115 4.217 -4.298 -13.124 1.00 0.00 H new ATOM 0 HA3 GLY A 115 5.303 -5.672 -13.067 1.00 0.00 H new ATOM 215 N SER A 116 5.817 -2.654 -12.157 1.00 0.00 N ATOM 216 CA SER A 116 6.717 -1.748 -11.454 1.00 0.00 C ATOM 217 C SER A 116 6.204 -1.457 -10.047 1.00 0.00 C ATOM 218 O SER A 116 5.006 -1.549 -9.779 1.00 0.00 O ATOM 219 CB SER A 116 6.871 -0.441 -12.233 1.00 0.00 C ATOM 220 OG SER A 116 7.295 -0.687 -13.563 1.00 0.00 O ATOM 0 H SER A 116 4.847 -2.339 -12.196 1.00 0.00 H new ATOM 0 HA SER A 116 7.691 -2.232 -11.375 1.00 0.00 H new ATOM 0 HB2 SER A 116 5.921 0.094 -12.244 1.00 0.00 H new ATOM 0 HB3 SER A 116 7.593 0.202 -11.731 1.00 0.00 H new ATOM 0 HG SER A 116 7.384 0.164 -14.041 1.00 0.00 H new ATOM 226 N ARG A 117 7.120 -1.105 -9.150 1.00 0.00 N ATOM 227 CA ARG A 117 6.762 -0.802 -7.770 1.00 0.00 C ATOM 228 C ARG A 117 6.066 0.553 -7.675 1.00 0.00 C ATOM 229 O ARG A 117 6.599 1.570 -8.119 1.00 0.00 O ATOM 230 CB ARG A 117 8.009 -0.810 -6.884 1.00 0.00 C ATOM 231 CG ARG A 117 9.021 0.264 -7.247 1.00 0.00 C ATOM 232 CD ARG A 117 10.355 0.029 -6.555 1.00 0.00 C ATOM 233 NE ARG A 117 11.220 -0.861 -7.324 1.00 0.00 N ATOM 234 CZ ARG A 117 12.469 -1.152 -6.978 1.00 0.00 C ATOM 235 NH1 ARG A 117 12.996 -0.625 -5.880 1.00 0.00 N ATOM 236 NH2 ARG A 117 13.194 -1.971 -7.729 1.00 0.00 N ATOM 0 H ARG A 117 8.116 -1.023 -9.355 1.00 0.00 H new ATOM 0 HA ARG A 117 6.073 -1.571 -7.422 1.00 0.00 H new ATOM 0 HB2 ARG A 117 7.707 -0.677 -5.845 1.00 0.00 H new ATOM 0 HB3 ARG A 117 8.488 -1.787 -6.954 1.00 0.00 H new ATOM 0 HG2 ARG A 117 9.167 0.277 -8.327 1.00 0.00 H new ATOM 0 HG3 ARG A 117 8.631 1.242 -6.966 1.00 0.00 H new ATOM 0 HD2 ARG A 117 10.859 0.984 -6.405 1.00 0.00 H new ATOM 0 HD3 ARG A 117 10.181 -0.398 -5.567 1.00 0.00 H new ATOM 0 HE ARG A 117 10.845 -1.282 -8.174 1.00 0.00 H new ATOM 0 HH11 ARG A 117 12.442 0.005 -5.300 1.00 0.00 H new ATOM 0 HH12 ARG A 117 13.955 -0.850 -5.616 1.00 0.00 H new ATOM 0 HH21 ARG A 117 12.792 -2.378 -8.574 1.00 0.00 H new ATOM 0 HH22 ARG A 117 14.153 -2.193 -7.462 1.00 0.00 H new ATOM 250 N CYS A 118 4.871 0.558 -7.093 1.00 0.00 N ATOM 251 CA CYS A 118 4.100 1.786 -6.939 1.00 0.00 C ATOM 252 C CYS A 118 4.679 2.656 -5.827 1.00 0.00 C ATOM 253 O CYS A 118 5.733 2.349 -5.268 1.00 0.00 O ATOM 254 CB CYS A 118 2.636 1.460 -6.637 1.00 0.00 C ATOM 255 SG CYS A 118 1.820 0.453 -7.917 1.00 0.00 S ATOM 0 H CYS A 118 4.416 -0.275 -6.720 1.00 0.00 H new ATOM 0 HA CYS A 118 4.156 2.340 -7.876 1.00 0.00 H new ATOM 0 HB2 CYS A 118 2.581 0.932 -5.685 1.00 0.00 H new ATOM 0 HB3 CYS A 118 2.084 2.392 -6.517 1.00 0.00 H new ATOM 260 N LEU A 119 3.983 3.742 -5.511 1.00 0.00 N ATOM 261 CA LEU A 119 4.426 4.658 -4.465 1.00 0.00 C ATOM 262 C LEU A 119 4.079 4.114 -3.082 1.00 0.00 C ATOM 263 O LEU A 119 3.041 3.479 -2.897 1.00 0.00 O ATOM 264 CB LEU A 119 3.787 6.034 -4.659 1.00 0.00 C ATOM 265 CG LEU A 119 4.585 7.031 -5.500 1.00 0.00 C ATOM 266 CD1 LEU A 119 5.390 6.306 -6.568 1.00 0.00 C ATOM 267 CD2 LEU A 119 3.657 8.057 -6.134 1.00 0.00 C ATOM 0 H LEU A 119 3.109 4.010 -5.964 1.00 0.00 H new ATOM 0 HA LEU A 119 5.509 4.755 -4.536 1.00 0.00 H new ATOM 0 HB2 LEU A 119 2.810 5.897 -5.123 1.00 0.00 H new ATOM 0 HB3 LEU A 119 3.614 6.474 -3.677 1.00 0.00 H new ATOM 0 HG LEU A 119 5.280 7.555 -4.844 1.00 0.00 H new ATOM 0 HD11 LEU A 119 5.951 7.032 -7.156 1.00 0.00 H new ATOM 0 HD12 LEU A 119 6.082 5.611 -6.093 1.00 0.00 H new ATOM 0 HD13 LEU A 119 4.714 5.754 -7.221 1.00 0.00 H new ATOM 0 HD21 LEU A 119 4.242 8.758 -6.729 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.937 7.549 -6.776 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.126 8.600 -5.352 1.00 0.00 H new ATOM 279 N ARG A 120 4.953 4.370 -2.115 1.00 0.00 N ATOM 280 CA ARG A 120 4.738 3.908 -0.749 1.00 0.00 C ATOM 281 C ARG A 120 3.365 4.335 -0.240 1.00 0.00 C ATOM 282 O ARG A 120 2.750 3.643 0.571 1.00 0.00 O ATOM 283 CB ARG A 120 5.829 4.454 0.174 1.00 0.00 C ATOM 284 CG ARG A 120 5.579 4.170 1.647 1.00 0.00 C ATOM 285 CD ARG A 120 6.823 4.426 2.482 1.00 0.00 C ATOM 286 NE ARG A 120 6.889 5.806 2.957 1.00 0.00 N ATOM 287 CZ ARG A 120 7.457 6.793 2.273 1.00 0.00 C ATOM 288 NH1 ARG A 120 8.005 6.553 1.089 1.00 0.00 N ATOM 289 NH2 ARG A 120 7.477 8.022 2.771 1.00 0.00 N ATOM 0 H ARG A 120 5.817 4.895 -2.252 1.00 0.00 H new ATOM 0 HA ARG A 120 4.783 2.819 -0.749 1.00 0.00 H new ATOM 0 HB2 ARG A 120 6.787 4.020 -0.113 1.00 0.00 H new ATOM 0 HB3 ARG A 120 5.910 5.531 0.029 1.00 0.00 H new ATOM 0 HG2 ARG A 120 4.763 4.797 2.006 1.00 0.00 H new ATOM 0 HG3 ARG A 120 5.263 3.134 1.771 1.00 0.00 H new ATOM 0 HD2 ARG A 120 6.833 3.748 3.335 1.00 0.00 H new ATOM 0 HD3 ARG A 120 7.710 4.204 1.889 1.00 0.00 H new ATOM 0 HE ARG A 120 6.476 6.024 3.864 1.00 0.00 H new ATOM 0 HH11 ARG A 120 7.991 5.609 0.702 1.00 0.00 H new ATOM 0 HH12 ARG A 120 8.441 7.312 0.565 1.00 0.00 H new ATOM 0 HH21 ARG A 120 7.056 8.211 3.681 1.00 0.00 H new ATOM 0 HH22 ARG A 120 7.914 8.779 2.244 1.00 0.00 H new ATOM 303 N ASP A 121 2.891 5.479 -0.721 1.00 0.00 N ATOM 304 CA ASP A 121 1.590 5.999 -0.316 1.00 0.00 C ATOM 305 C ASP A 121 0.474 5.389 -1.159 1.00 0.00 C ATOM 306 O ASP A 121 -0.630 5.154 -0.669 1.00 0.00 O ATOM 307 CB ASP A 121 1.565 7.523 -0.440 1.00 0.00 C ATOM 308 CG ASP A 121 0.627 8.169 0.560 1.00 0.00 C ATOM 309 OD1 ASP A 121 0.005 7.432 1.353 1.00 0.00 O ATOM 310 OD2 ASP A 121 0.513 9.413 0.550 1.00 0.00 O ATOM 0 H ASP A 121 3.388 6.064 -1.392 1.00 0.00 H new ATOM 0 HA ASP A 121 1.425 5.724 0.726 1.00 0.00 H new ATOM 0 HB2 ASP A 121 2.572 7.913 -0.294 1.00 0.00 H new ATOM 0 HB3 ASP A 121 1.260 7.798 -1.450 1.00 0.00 H new ATOM 315 N SER A 122 0.771 5.136 -2.430 1.00 0.00 N ATOM 316 CA SER A 122 -0.209 4.559 -3.343 1.00 0.00 C ATOM 317 C SER A 122 -0.334 3.054 -3.124 1.00 0.00 C ATOM 318 O SER A 122 0.630 2.307 -3.294 1.00 0.00 O ATOM 319 CB SER A 122 0.185 4.844 -4.794 1.00 0.00 C ATOM 320 OG SER A 122 1.287 4.046 -5.189 1.00 0.00 O ATOM 0 H SER A 122 1.682 5.321 -2.850 1.00 0.00 H new ATOM 0 HA SER A 122 -1.175 5.020 -3.139 1.00 0.00 H new ATOM 0 HB2 SER A 122 -0.663 4.648 -5.450 1.00 0.00 H new ATOM 0 HB3 SER A 122 0.437 5.899 -4.905 1.00 0.00 H new ATOM 0 HG SER A 122 1.274 3.202 -4.692 1.00 0.00 H new ATOM 326 N THR A 123 -1.531 2.615 -2.745 1.00 0.00 N ATOM 327 CA THR A 123 -1.784 1.201 -2.501 1.00 0.00 C ATOM 328 C THR A 123 -2.835 0.657 -3.462 1.00 0.00 C ATOM 329 O THR A 123 -3.479 -0.356 -3.185 1.00 0.00 O ATOM 330 CB THR A 123 -2.251 0.955 -1.054 1.00 0.00 C ATOM 331 OG1 THR A 123 -1.521 1.796 -0.154 1.00 0.00 O ATOM 332 CG2 THR A 123 -2.058 -0.502 -0.663 1.00 0.00 C ATOM 0 H THR A 123 -2.340 3.219 -2.601 1.00 0.00 H new ATOM 0 HA THR A 123 -0.841 0.679 -2.664 1.00 0.00 H new ATOM 0 HB THR A 123 -3.313 1.193 -0.993 1.00 0.00 H new ATOM 0 HG1 THR A 123 -0.635 1.409 0.009 1.00 0.00 H new ATOM 0 HG21 THR A 123 -2.395 -0.651 0.363 1.00 0.00 H new ATOM 0 HG22 THR A 123 -2.638 -1.138 -1.332 1.00 0.00 H new ATOM 0 HG23 THR A 123 -1.002 -0.763 -0.740 1.00 0.00 H new ATOM 340 N HIS A 124 -3.005 1.336 -4.592 1.00 0.00 N ATOM 341 CA HIS A 124 -3.979 0.919 -5.595 1.00 0.00 C ATOM 342 C HIS A 124 -3.445 1.160 -7.004 1.00 0.00 C ATOM 343 O HIS A 124 -2.496 1.921 -7.197 1.00 0.00 O ATOM 344 CB HIS A 124 -5.296 1.671 -5.401 1.00 0.00 C ATOM 345 CG HIS A 124 -5.741 1.741 -3.972 1.00 0.00 C ATOM 346 ND1 HIS A 124 -5.175 2.595 -3.049 1.00 0.00 N ATOM 347 CD2 HIS A 124 -6.704 1.059 -3.310 1.00 0.00 C ATOM 348 CE1 HIS A 124 -5.770 2.433 -1.881 1.00 0.00 C ATOM 349 NE2 HIS A 124 -6.702 1.507 -2.012 1.00 0.00 N ATOM 0 H HIS A 124 -2.482 2.177 -4.836 1.00 0.00 H new ATOM 0 HA HIS A 124 -4.157 -0.149 -5.471 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.187 2.684 -5.789 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -6.073 1.185 -5.991 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -7.354 0.303 -3.725 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -5.534 2.967 -0.973 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -7.320 1.178 -1.270 1.00 0.00 H new ATOM 357 N CYS A 125 -4.060 0.507 -7.984 1.00 0.00 N ATOM 358 CA CYS A 125 -3.646 0.649 -9.375 1.00 0.00 C ATOM 359 C CYS A 125 -4.731 1.336 -10.198 1.00 0.00 C ATOM 360 O CYS A 125 -5.916 1.255 -9.874 1.00 0.00 O ATOM 361 CB CYS A 125 -3.326 -0.722 -9.976 1.00 0.00 C ATOM 362 SG CYS A 125 -2.589 -1.898 -8.795 1.00 0.00 S ATOM 0 H CYS A 125 -4.847 -0.126 -7.841 1.00 0.00 H new ATOM 0 HA CYS A 125 -2.749 1.268 -9.400 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -4.243 -1.154 -10.378 1.00 0.00 H new ATOM 0 HB3 CYS A 125 -2.642 -0.589 -10.814 1.00 0.00 H new ATOM 367 N VAL A 126 -4.318 2.014 -11.264 1.00 0.00 N ATOM 368 CA VAL A 126 -5.254 2.715 -12.135 1.00 0.00 C ATOM 369 C VAL A 126 -4.996 2.382 -13.600 1.00 0.00 C ATOM 370 O VAL A 126 -3.850 2.208 -14.017 1.00 0.00 O ATOM 371 CB VAL A 126 -5.165 4.240 -11.942 1.00 0.00 C ATOM 372 CG1 VAL A 126 -6.115 4.955 -12.891 1.00 0.00 C ATOM 373 CG2 VAL A 126 -5.460 4.613 -10.498 1.00 0.00 C ATOM 0 H VAL A 126 -3.341 2.093 -11.545 1.00 0.00 H new ATOM 0 HA VAL A 126 -6.254 2.380 -11.861 1.00 0.00 H new ATOM 0 HB VAL A 126 -4.149 4.559 -12.175 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -6.038 6.032 -12.740 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -5.851 4.713 -13.921 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -7.137 4.633 -12.693 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -5.392 5.695 -10.381 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -6.464 4.281 -10.234 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -4.735 4.131 -9.842 1.00 0.00 H new ATOM 383 N THR A 127 -6.069 2.296 -14.380 1.00 0.00 N ATOM 384 CA THR A 127 -5.960 1.984 -15.799 1.00 0.00 C ATOM 385 C THR A 127 -6.767 2.965 -16.642 1.00 0.00 C ATOM 386 O THR A 127 -7.996 2.996 -16.571 1.00 0.00 O ATOM 387 CB THR A 127 -6.440 0.552 -16.098 1.00 0.00 C ATOM 388 OG1 THR A 127 -5.697 -0.388 -15.313 1.00 0.00 O ATOM 389 CG2 THR A 127 -6.280 0.224 -17.575 1.00 0.00 C ATOM 0 H THR A 127 -7.024 2.438 -14.052 1.00 0.00 H new ATOM 0 HA THR A 127 -4.905 2.067 -16.060 1.00 0.00 H new ATOM 0 HB THR A 127 -7.497 0.486 -15.840 1.00 0.00 H new ATOM 0 HG1 THR A 127 -6.010 -1.296 -15.508 1.00 0.00 H new ATOM 0 HG21 THR A 127 -6.626 -0.793 -17.761 1.00 0.00 H new ATOM 0 HG22 THR A 127 -6.870 0.922 -18.169 1.00 0.00 H new ATOM 0 HG23 THR A 127 -5.230 0.307 -17.854 1.00 0.00 H new ATOM 397 N THR A 128 -6.069 3.766 -17.441 1.00 0.00 N ATOM 398 CA THR A 128 -6.722 4.749 -18.297 1.00 0.00 C ATOM 399 C THR A 128 -6.643 4.339 -19.763 1.00 0.00 C ATOM 400 O THR A 128 -5.583 4.413 -20.383 1.00 0.00 O ATOM 401 CB THR A 128 -6.091 6.145 -18.132 1.00 0.00 C ATOM 402 OG1 THR A 128 -4.732 6.124 -18.581 1.00 0.00 O ATOM 403 CG2 THR A 128 -6.145 6.594 -16.680 1.00 0.00 C ATOM 0 H THR A 128 -5.052 3.753 -17.513 1.00 0.00 H new ATOM 0 HA THR A 128 -7.767 4.792 -17.990 1.00 0.00 H new ATOM 0 HB THR A 128 -6.661 6.852 -18.735 1.00 0.00 H new ATOM 0 HG1 THR A 128 -4.273 5.348 -18.198 1.00 0.00 H new ATOM 0 HG21 THR A 128 -5.694 7.582 -16.588 1.00 0.00 H new ATOM 0 HG22 THR A 128 -7.183 6.637 -16.351 1.00 0.00 H new ATOM 0 HG23 THR A 128 -5.597 5.885 -16.059 1.00 0.00 H new ATOM 411 N ALA A 129 -7.773 3.906 -20.313 1.00 0.00 N ATOM 412 CA ALA A 129 -7.833 3.487 -21.708 1.00 0.00 C ATOM 413 C ALA A 129 -8.592 4.502 -22.554 1.00 0.00 C ATOM 414 O ALA A 129 -9.821 4.576 -22.502 1.00 0.00 O ATOM 415 CB ALA A 129 -8.480 2.114 -21.819 1.00 0.00 C ATOM 0 H ALA A 129 -8.660 3.836 -19.813 1.00 0.00 H new ATOM 0 HA ALA A 129 -6.813 3.428 -22.088 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -8.518 1.813 -22.866 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -7.894 1.389 -21.255 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -9.492 2.155 -21.416 1.00 0.00 H new ATOM 421 N THR A 130 -7.854 5.285 -23.335 1.00 0.00 N ATOM 422 CA THR A 130 -8.458 6.298 -24.191 1.00 0.00 C ATOM 423 C THR A 130 -7.509 6.708 -25.312 1.00 0.00 C ATOM 424 O THR A 130 -6.356 6.277 -25.350 1.00 0.00 O ATOM 425 CB THR A 130 -8.855 7.550 -23.387 1.00 0.00 C ATOM 426 OG1 THR A 130 -9.630 8.433 -24.206 1.00 0.00 O ATOM 427 CG2 THR A 130 -7.621 8.278 -22.875 1.00 0.00 C ATOM 0 H THR A 130 -6.837 5.237 -23.392 1.00 0.00 H new ATOM 0 HA THR A 130 -9.355 5.853 -24.622 1.00 0.00 H new ATOM 0 HB THR A 130 -9.451 7.232 -22.532 1.00 0.00 H new ATOM 0 HG1 THR A 130 -9.880 9.226 -23.687 1.00 0.00 H new ATOM 0 HG21 THR A 130 -7.926 9.159 -22.310 1.00 0.00 H new ATOM 0 HG22 THR A 130 -7.048 7.613 -22.229 1.00 0.00 H new ATOM 0 HG23 THR A 130 -7.003 8.584 -23.719 1.00 0.00 H new ATOM 579 N PRO A 140 -5.534 2.589 -29.571 1.00 0.00 N ATOM 580 CA PRO A 140 -5.836 3.466 -28.436 1.00 0.00 C ATOM 581 C PRO A 140 -4.714 3.485 -27.403 1.00 0.00 C ATOM 582 O PRO A 140 -3.966 2.516 -27.266 1.00 0.00 O ATOM 583 CB PRO A 140 -7.103 2.849 -27.838 1.00 0.00 C ATOM 584 CG PRO A 140 -7.051 1.415 -28.238 1.00 0.00 C ATOM 585 CD PRO A 140 -6.381 1.385 -29.584 1.00 0.00 C ATOM 0 HA PRO A 140 -5.956 4.505 -28.744 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -7.122 2.957 -26.754 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -8.000 3.335 -28.223 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -6.492 0.827 -27.510 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -8.052 0.988 -28.291 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -5.790 0.479 -29.718 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -7.108 1.414 -30.395 1.00 0.00 H new ATOM 593 N LEU A 141 -4.602 4.593 -26.678 1.00 0.00 N ATOM 594 CA LEU A 141 -3.572 4.738 -25.656 1.00 0.00 C ATOM 595 C LEU A 141 -4.040 4.161 -24.324 1.00 0.00 C ATOM 596 O LEU A 141 -5.195 4.333 -23.934 1.00 0.00 O ATOM 597 CB LEU A 141 -3.199 6.211 -25.485 1.00 0.00 C ATOM 598 CG LEU A 141 -1.756 6.495 -25.066 1.00 0.00 C ATOM 599 CD1 LEU A 141 -1.499 5.984 -23.657 1.00 0.00 C ATOM 600 CD2 LEU A 141 -0.782 5.864 -26.050 1.00 0.00 C ATOM 0 H LEU A 141 -5.212 5.404 -26.779 1.00 0.00 H new ATOM 0 HA LEU A 141 -2.692 4.183 -25.981 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -3.390 6.725 -26.427 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -3.865 6.650 -24.742 1.00 0.00 H new ATOM 0 HG LEU A 141 -1.601 7.574 -25.073 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -0.467 6.195 -23.376 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -2.174 6.482 -22.961 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -1.672 4.908 -23.623 1.00 0.00 H new ATOM 0 HD21 LEU A 141 0.240 6.076 -25.737 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -0.938 4.785 -26.075 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -0.950 6.278 -27.044 1.00 0.00 H new ATOM 612 N VAL A 142 -3.136 3.478 -23.630 1.00 0.00 N ATOM 613 CA VAL A 142 -3.456 2.879 -22.339 1.00 0.00 C ATOM 614 C VAL A 142 -2.371 3.178 -21.311 1.00 0.00 C ATOM 615 O VAL A 142 -1.360 2.477 -21.236 1.00 0.00 O ATOM 616 CB VAL A 142 -3.631 1.354 -22.457 1.00 0.00 C ATOM 617 CG1 VAL A 142 -3.865 0.736 -21.087 1.00 0.00 C ATOM 618 CG2 VAL A 142 -4.774 1.020 -23.403 1.00 0.00 C ATOM 0 H VAL A 142 -2.176 3.325 -23.940 1.00 0.00 H new ATOM 0 HA VAL A 142 -4.396 3.320 -22.009 1.00 0.00 H new ATOM 0 HB VAL A 142 -2.714 0.932 -22.868 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -3.986 -0.342 -21.190 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -3.011 0.945 -20.443 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -4.766 1.162 -20.645 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -4.883 -0.062 -23.474 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -5.699 1.454 -23.023 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -4.560 1.429 -24.391 1.00 0.00 H new ATOM 628 N THR A 143 -2.586 4.222 -20.518 1.00 0.00 N ATOM 629 CA THR A 143 -1.626 4.615 -19.493 1.00 0.00 C ATOM 630 C THR A 143 -2.017 4.055 -18.130 1.00 0.00 C ATOM 631 O THR A 143 -3.093 4.351 -17.611 1.00 0.00 O ATOM 632 CB THR A 143 -1.508 6.147 -19.391 1.00 0.00 C ATOM 633 OG1 THR A 143 -1.271 6.708 -20.688 1.00 0.00 O ATOM 634 CG2 THR A 143 -0.381 6.542 -18.449 1.00 0.00 C ATOM 0 H THR A 143 -3.417 4.812 -20.565 1.00 0.00 H new ATOM 0 HA THR A 143 -0.661 4.203 -19.789 1.00 0.00 H new ATOM 0 HB THR A 143 -2.446 6.535 -18.993 1.00 0.00 H new ATOM 0 HG1 THR A 143 -1.199 7.683 -20.615 1.00 0.00 H new ATOM 0 HG21 THR A 143 -0.317 7.629 -18.393 1.00 0.00 H new ATOM 0 HG22 THR A 143 -0.579 6.139 -17.456 1.00 0.00 H new ATOM 0 HG23 THR A 143 0.562 6.142 -18.822 1.00 0.00 H new ATOM 642 N LYS A 144 -1.136 3.244 -17.554 1.00 0.00 N ATOM 643 CA LYS A 144 -1.387 2.644 -16.250 1.00 0.00 C ATOM 644 C LYS A 144 -0.480 3.254 -15.186 1.00 0.00 C ATOM 645 O LYS A 144 0.639 3.674 -15.478 1.00 0.00 O ATOM 646 CB LYS A 144 -1.170 1.130 -16.312 1.00 0.00 C ATOM 647 CG LYS A 144 -2.130 0.416 -17.247 1.00 0.00 C ATOM 648 CD LYS A 144 -1.713 -1.027 -17.480 1.00 0.00 C ATOM 649 CE LYS A 144 -2.158 -1.522 -18.847 1.00 0.00 C ATOM 650 NZ LYS A 144 -3.642 -1.559 -18.967 1.00 0.00 N ATOM 0 H LYS A 144 -0.241 2.987 -17.971 1.00 0.00 H new ATOM 0 HA LYS A 144 -2.423 2.846 -15.979 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -0.148 0.931 -16.633 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -1.276 0.715 -15.310 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -3.135 0.442 -16.827 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -2.170 0.943 -18.201 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -0.630 -1.112 -17.396 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -2.143 -1.661 -16.705 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -1.747 -0.872 -19.620 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -1.754 -2.519 -19.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -3.907 -2.057 -19.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -4.044 -2.059 -18.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -4.012 -0.588 -18.996 1.00 0.00 H new ATOM 664 N MET A 145 -0.971 3.299 -13.951 1.00 0.00 N ATOM 665 CA MET A 145 -0.203 3.856 -12.844 1.00 0.00 C ATOM 666 C MET A 145 -0.789 3.424 -11.504 1.00 0.00 C ATOM 667 O MET A 145 -1.632 2.528 -11.444 1.00 0.00 O ATOM 668 CB MET A 145 -0.174 5.383 -12.933 1.00 0.00 C ATOM 669 CG MET A 145 -1.441 6.046 -12.418 1.00 0.00 C ATOM 670 SD MET A 145 -1.810 7.594 -13.266 1.00 0.00 S ATOM 671 CE MET A 145 -2.103 7.005 -14.932 1.00 0.00 C ATOM 0 H MET A 145 -1.896 2.957 -13.693 1.00 0.00 H new ATOM 0 HA MET A 145 0.816 3.476 -12.914 1.00 0.00 H new ATOM 0 HB2 MET A 145 0.678 5.756 -12.365 1.00 0.00 H new ATOM 0 HB3 MET A 145 -0.017 5.675 -13.971 1.00 0.00 H new ATOM 0 HG2 MET A 145 -2.280 5.361 -12.540 1.00 0.00 H new ATOM 0 HG3 MET A 145 -1.338 6.237 -11.350 1.00 0.00 H new ATOM 0 HE1 MET A 145 -1.297 7.341 -15.584 1.00 0.00 H new ATOM 0 HE2 MET A 145 -2.139 5.916 -14.932 1.00 0.00 H new ATOM 0 HE3 MET A 145 -3.052 7.399 -15.296 1.00 0.00 H new ATOM 681 N CYS A 146 -0.338 4.065 -10.431 1.00 0.00 N ATOM 682 CA CYS A 146 -0.817 3.747 -9.091 1.00 0.00 C ATOM 683 C CYS A 146 -1.267 5.008 -8.361 1.00 0.00 C ATOM 684 O CYS A 146 -0.842 6.116 -8.691 1.00 0.00 O ATOM 685 CB CYS A 146 0.280 3.043 -8.289 1.00 0.00 C ATOM 686 SG CYS A 146 1.235 1.822 -9.246 1.00 0.00 S ATOM 0 H CYS A 146 0.359 4.809 -10.463 1.00 0.00 H new ATOM 0 HA CYS A 146 -1.673 3.079 -9.187 1.00 0.00 H new ATOM 0 HB2 CYS A 146 0.964 3.794 -7.893 1.00 0.00 H new ATOM 0 HB3 CYS A 146 -0.174 2.543 -7.434 1.00 0.00 H new ATOM 691 N HIS A 147 -2.130 4.833 -7.365 1.00 0.00 N ATOM 692 CA HIS A 147 -2.638 5.956 -6.586 1.00 0.00 C ATOM 693 C HIS A 147 -3.312 5.470 -5.307 1.00 0.00 C ATOM 694 O HIS A 147 -3.494 4.269 -5.108 1.00 0.00 O ATOM 695 CB HIS A 147 -3.626 6.775 -7.418 1.00 0.00 C ATOM 696 CG HIS A 147 -3.654 8.228 -7.056 1.00 0.00 C ATOM 697 ND1 HIS A 147 -2.676 9.119 -7.443 1.00 0.00 N ATOM 698 CD2 HIS A 147 -4.551 8.945 -6.339 1.00 0.00 C ATOM 699 CE1 HIS A 147 -2.969 10.320 -6.978 1.00 0.00 C ATOM 700 NE2 HIS A 147 -4.103 10.242 -6.305 1.00 0.00 N ATOM 0 H HIS A 147 -2.492 3.923 -7.079 1.00 0.00 H new ATOM 0 HA HIS A 147 -1.793 6.588 -6.312 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -3.369 6.677 -8.473 1.00 0.00 H new ATOM 0 HB3 HIS A 147 -4.626 6.359 -7.293 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -5.452 8.567 -5.879 1.00 0.00 H new ATOM 0 HE1 HIS A 147 -2.381 11.214 -7.123 1.00 0.00 H new ATOM 0 HE2 HIS A 147 -4.570 11.019 -5.837 1.00 0.00 H new ATOM 708 N ILE A 148 -3.679 6.411 -4.443 1.00 0.00 N ATOM 709 CA ILE A 148 -4.332 6.078 -3.183 1.00 0.00 C ATOM 710 C ILE A 148 -5.849 6.056 -3.340 1.00 0.00 C ATOM 711 O ILE A 148 -6.578 6.567 -2.491 1.00 0.00 O ATOM 712 CB ILE A 148 -3.956 7.076 -2.073 1.00 0.00 C ATOM 713 CG1 ILE A 148 -2.465 7.414 -2.144 1.00 0.00 C ATOM 714 CG2 ILE A 148 -4.311 6.508 -0.707 1.00 0.00 C ATOM 715 CD1 ILE A 148 -2.014 8.384 -1.075 1.00 0.00 C ATOM 0 H ILE A 148 -3.535 7.410 -4.593 1.00 0.00 H new ATOM 0 HA ILE A 148 -3.984 5.085 -2.899 1.00 0.00 H new ATOM 0 HB ILE A 148 -4.525 7.994 -2.222 1.00 0.00 H new ATOM 0 HG12 ILE A 148 -1.888 6.494 -2.055 1.00 0.00 H new ATOM 0 HG13 ILE A 148 -2.243 7.837 -3.124 1.00 0.00 H new ATOM 0 HG21 ILE A 148 -4.039 7.225 0.067 1.00 0.00 H new ATOM 0 HG22 ILE A 148 -5.383 6.313 -0.661 1.00 0.00 H new ATOM 0 HG23 ILE A 148 -3.766 5.578 -0.547 1.00 0.00 H new ATOM 0 HD11 ILE A 148 -0.947 8.578 -1.186 1.00 0.00 H new ATOM 0 HD12 ILE A 148 -2.565 9.319 -1.176 1.00 0.00 H new ATOM 0 HD13 ILE A 148 -2.204 7.955 -0.091 1.00 0.00 H new ATOM 727 N GLY A 149 -6.317 5.459 -4.431 1.00 0.00 N ATOM 728 CA GLY A 149 -7.745 5.380 -4.679 1.00 0.00 C ATOM 729 C GLY A 149 -8.070 5.211 -6.150 1.00 0.00 C ATOM 730 O GLY A 149 -7.789 4.167 -6.739 1.00 0.00 O ATOM 0 H GLY A 149 -5.733 5.028 -5.148 1.00 0.00 H new ATOM 0 HA2 GLY A 149 -8.162 4.543 -4.120 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -8.226 6.284 -4.305 1.00 0.00 H new ATOM 734 N CYS A 150 -8.666 6.239 -6.744 1.00 0.00 N ATOM 735 CA CYS A 150 -9.032 6.200 -8.155 1.00 0.00 C ATOM 736 C CYS A 150 -9.346 7.600 -8.675 1.00 0.00 C ATOM 737 O CYS A 150 -10.503 7.973 -8.868 1.00 0.00 O ATOM 738 CB CYS A 150 -10.240 5.284 -8.364 1.00 0.00 C ATOM 739 SG CYS A 150 -10.742 5.102 -10.106 1.00 0.00 S ATOM 0 H CYS A 150 -8.906 7.110 -6.270 1.00 0.00 H new ATOM 0 HA CYS A 150 -8.183 5.806 -8.714 1.00 0.00 H new ATOM 0 HB2 CYS A 150 -10.010 4.299 -7.958 1.00 0.00 H new ATOM 0 HB3 CYS A 150 -11.082 5.675 -7.793 1.00 0.00 H new ATOM 917 N SER A 163 -11.873 6.500 -20.165 1.00 0.00 N ATOM 918 CA SER A 163 -12.288 5.423 -19.273 1.00 0.00 C ATOM 919 C SER A 163 -11.244 5.185 -18.186 1.00 0.00 C ATOM 920 O SER A 163 -10.048 5.097 -18.468 1.00 0.00 O ATOM 921 CB SER A 163 -12.519 4.135 -20.065 1.00 0.00 C ATOM 922 OG SER A 163 -13.513 3.331 -19.454 1.00 0.00 O ATOM 0 HA SER A 163 -13.222 5.720 -18.797 1.00 0.00 H new ATOM 0 HB2 SER A 163 -12.821 4.380 -21.083 1.00 0.00 H new ATOM 0 HB3 SER A 163 -11.586 3.575 -20.135 1.00 0.00 H new ATOM 0 HG SER A 163 -13.643 2.515 -19.981 1.00 0.00 H new ATOM 928 N ILE A 164 -11.704 5.081 -16.944 1.00 0.00 N ATOM 929 CA ILE A 164 -10.811 4.852 -15.816 1.00 0.00 C ATOM 930 C ILE A 164 -11.229 3.617 -15.025 1.00 0.00 C ATOM 931 O ILE A 164 -12.345 3.545 -14.512 1.00 0.00 O ATOM 932 CB ILE A 164 -10.777 6.066 -14.869 1.00 0.00 C ATOM 933 CG1 ILE A 164 -10.301 7.312 -15.619 1.00 0.00 C ATOM 934 CG2 ILE A 164 -9.876 5.783 -13.676 1.00 0.00 C ATOM 935 CD1 ILE A 164 -10.741 8.609 -14.976 1.00 0.00 C ATOM 0 H ILE A 164 -12.690 5.152 -16.694 1.00 0.00 H new ATOM 0 HA ILE A 164 -9.815 4.696 -16.230 1.00 0.00 H new ATOM 0 HB ILE A 164 -11.787 6.249 -14.501 1.00 0.00 H new ATOM 0 HG12 ILE A 164 -9.213 7.296 -15.679 1.00 0.00 H new ATOM 0 HG13 ILE A 164 -10.677 7.277 -16.641 1.00 0.00 H new ATOM 0 HG21 ILE A 164 -9.863 6.651 -13.016 1.00 0.00 H new ATOM 0 HG22 ILE A 164 -10.255 4.918 -13.131 1.00 0.00 H new ATOM 0 HG23 ILE A 164 -8.864 5.577 -14.025 1.00 0.00 H new ATOM 0 HD11 ILE A 164 -10.368 9.450 -15.561 1.00 0.00 H new ATOM 0 HD12 ILE A 164 -11.830 8.646 -14.940 1.00 0.00 H new ATOM 0 HD13 ILE A 164 -10.343 8.666 -13.963 1.00 0.00 H new ATOM 947 N ALA A 165 -10.325 2.647 -14.931 1.00 0.00 N ATOM 948 CA ALA A 165 -10.599 1.416 -14.200 1.00 0.00 C ATOM 949 C ALA A 165 -9.569 1.192 -13.098 1.00 0.00 C ATOM 950 O ALA A 165 -8.433 0.799 -13.366 1.00 0.00 O ATOM 951 CB ALA A 165 -10.621 0.230 -15.153 1.00 0.00 C ATOM 0 H ALA A 165 -9.397 2.690 -15.352 1.00 0.00 H new ATOM 0 HA ALA A 165 -11.579 1.510 -13.732 1.00 0.00 H new ATOM 0 HB1 ALA A 165 -10.827 -0.683 -14.594 1.00 0.00 H new ATOM 0 HB2 ALA A 165 -11.399 0.379 -15.902 1.00 0.00 H new ATOM 0 HB3 ALA A 165 -9.653 0.142 -15.647 1.00 0.00 H new ATOM 957 N CYS A 166 -9.973 1.444 -11.857 1.00 0.00 N ATOM 958 CA CYS A 166 -9.086 1.271 -10.713 1.00 0.00 C ATOM 959 C CYS A 166 -9.508 0.068 -9.874 1.00 0.00 C ATOM 960 O CYS A 166 -10.607 -0.463 -10.039 1.00 0.00 O ATOM 961 CB CYS A 166 -9.081 2.533 -9.849 1.00 0.00 C ATOM 962 SG CYS A 166 -9.002 4.085 -10.800 1.00 0.00 S ATOM 0 H CYS A 166 -10.910 1.769 -11.618 1.00 0.00 H new ATOM 0 HA CYS A 166 -8.079 1.093 -11.090 1.00 0.00 H new ATOM 0 HB2 CYS A 166 -9.980 2.542 -9.233 1.00 0.00 H new ATOM 0 HB3 CYS A 166 -8.230 2.492 -9.170 1.00 0.00 H new ATOM 967 N CYS A 167 -8.628 -0.356 -8.974 1.00 0.00 N ATOM 968 CA CYS A 167 -8.907 -1.496 -8.109 1.00 0.00 C ATOM 969 C CYS A 167 -7.875 -1.594 -6.989 1.00 0.00 C ATOM 970 O CYS A 167 -6.730 -1.174 -7.149 1.00 0.00 O ATOM 971 CB CYS A 167 -8.917 -2.791 -8.923 1.00 0.00 C ATOM 972 SG CYS A 167 -7.840 -2.754 -10.392 1.00 0.00 S ATOM 0 H CYS A 167 -7.715 0.073 -8.824 1.00 0.00 H new ATOM 0 HA CYS A 167 -9.890 -1.349 -7.662 1.00 0.00 H new ATOM 0 HB2 CYS A 167 -8.608 -3.615 -8.279 1.00 0.00 H new ATOM 0 HB3 CYS A 167 -9.939 -3.001 -9.240 1.00 0.00 H new ATOM 977 N GLN A 168 -8.291 -2.153 -5.857 1.00 0.00 N ATOM 978 CA GLN A 168 -7.403 -2.306 -4.710 1.00 0.00 C ATOM 979 C GLN A 168 -6.710 -3.665 -4.736 1.00 0.00 C ATOM 980 O GLN A 168 -6.695 -4.386 -3.739 1.00 0.00 O ATOM 981 CB GLN A 168 -8.186 -2.146 -3.407 1.00 0.00 C ATOM 982 CG GLN A 168 -9.276 -3.189 -3.219 1.00 0.00 C ATOM 983 CD GLN A 168 -10.607 -2.753 -3.797 1.00 0.00 C ATOM 984 OE1 GLN A 168 -10.852 -1.562 -3.993 1.00 0.00 O ATOM 985 NE2 GLN A 168 -11.477 -3.718 -4.073 1.00 0.00 N ATOM 0 H GLN A 168 -9.236 -2.507 -5.709 1.00 0.00 H new ATOM 0 HA GLN A 168 -6.641 -1.528 -4.766 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -7.493 -2.202 -2.567 1.00 0.00 H new ATOM 0 HB3 GLN A 168 -8.636 -1.154 -3.383 1.00 0.00 H new ATOM 0 HG2 GLN A 168 -8.967 -4.121 -3.692 1.00 0.00 H new ATOM 0 HG3 GLN A 168 -9.396 -3.396 -2.156 1.00 0.00 H new ATOM 0 HE21 GLN A 168 -11.232 -4.692 -3.895 1.00 0.00 H new ATOM 0 HE22 GLN A 168 -12.390 -3.485 -4.463 1.00 0.00 H new ATOM 994 N THR A 169 -6.135 -4.008 -5.885 1.00 0.00 N ATOM 995 CA THR A 169 -5.441 -5.280 -6.042 1.00 0.00 C ATOM 996 C THR A 169 -4.140 -5.105 -6.817 1.00 0.00 C ATOM 997 O THR A 169 -4.095 -4.396 -7.822 1.00 0.00 O ATOM 998 CB THR A 169 -6.322 -6.315 -6.767 1.00 0.00 C ATOM 999 OG1 THR A 169 -7.291 -5.647 -7.582 1.00 0.00 O ATOM 1000 CG2 THR A 169 -7.028 -7.220 -5.769 1.00 0.00 C ATOM 0 H THR A 169 -6.136 -3.422 -6.720 1.00 0.00 H new ATOM 0 HA THR A 169 -5.217 -5.643 -5.039 1.00 0.00 H new ATOM 0 HB THR A 169 -5.679 -6.929 -7.397 1.00 0.00 H new ATOM 0 HG1 THR A 169 -7.846 -6.311 -8.041 1.00 0.00 H new ATOM 0 HG21 THR A 169 -7.644 -7.942 -6.305 1.00 0.00 H new ATOM 0 HG22 THR A 169 -6.287 -7.749 -5.170 1.00 0.00 H new ATOM 0 HG23 THR A 169 -7.660 -6.618 -5.116 1.00 0.00 H new ATOM 1008 N SER A 170 -3.082 -5.756 -6.343 1.00 0.00 N ATOM 1009 CA SER A 170 -1.778 -5.670 -6.991 1.00 0.00 C ATOM 1010 C SER A 170 -1.860 -6.135 -8.441 1.00 0.00 C ATOM 1011 O SER A 170 -2.466 -7.164 -8.743 1.00 0.00 O ATOM 1012 CB SER A 170 -0.751 -6.511 -6.230 1.00 0.00 C ATOM 1013 OG SER A 170 -1.136 -7.874 -6.193 1.00 0.00 O ATOM 0 H SER A 170 -3.102 -6.348 -5.513 1.00 0.00 H new ATOM 0 HA SER A 170 -1.462 -4.627 -6.980 1.00 0.00 H new ATOM 0 HB2 SER A 170 0.225 -6.418 -6.707 1.00 0.00 H new ATOM 0 HB3 SER A 170 -0.647 -6.131 -5.214 1.00 0.00 H new ATOM 0 HG SER A 170 -0.463 -8.391 -5.703 1.00 0.00 H new ATOM 1019 N LEU A 171 -1.246 -5.369 -9.337 1.00 0.00 N ATOM 1020 CA LEU A 171 -1.248 -5.701 -10.757 1.00 0.00 C ATOM 1021 C LEU A 171 -2.653 -6.058 -11.231 1.00 0.00 C ATOM 1022 O LEU A 171 -2.835 -6.976 -12.032 1.00 0.00 O ATOM 1023 CB LEU A 171 -0.294 -6.866 -11.030 1.00 0.00 C ATOM 1024 CG LEU A 171 1.189 -6.591 -10.780 1.00 0.00 C ATOM 1025 CD1 LEU A 171 1.969 -7.895 -10.709 1.00 0.00 C ATOM 1026 CD2 LEU A 171 1.755 -5.688 -11.866 1.00 0.00 C ATOM 0 H LEU A 171 -0.741 -4.514 -9.105 1.00 0.00 H new ATOM 0 HA LEU A 171 -0.910 -4.825 -11.310 1.00 0.00 H new ATOM 0 HB2 LEU A 171 -0.596 -7.710 -10.410 1.00 0.00 H new ATOM 0 HB3 LEU A 171 -0.416 -7.174 -12.069 1.00 0.00 H new ATOM 0 HG LEU A 171 1.287 -6.080 -9.822 1.00 0.00 H new ATOM 0 HD11 LEU A 171 3.022 -7.680 -10.531 1.00 0.00 H new ATOM 0 HD12 LEU A 171 1.581 -8.507 -9.895 1.00 0.00 H new ATOM 0 HD13 LEU A 171 1.863 -8.434 -11.651 1.00 0.00 H new ATOM 0 HD21 LEU A 171 2.811 -5.503 -11.671 1.00 0.00 H new ATOM 0 HD22 LEU A 171 1.644 -6.172 -12.836 1.00 0.00 H new ATOM 0 HD23 LEU A 171 1.216 -4.741 -11.869 1.00 0.00 H new ATOM 1038 N CYS A 172 -3.643 -5.326 -10.733 1.00 0.00 N ATOM 1039 CA CYS A 172 -5.033 -5.563 -11.106 1.00 0.00 C ATOM 1040 C CYS A 172 -5.356 -4.904 -12.444 1.00 0.00 C ATOM 1041 O CYS A 172 -6.517 -4.631 -12.749 1.00 0.00 O ATOM 1042 CB CYS A 172 -5.972 -5.029 -10.022 1.00 0.00 C ATOM 1043 SG CYS A 172 -6.035 -3.211 -9.923 1.00 0.00 S ATOM 0 H CYS A 172 -3.509 -4.563 -10.070 1.00 0.00 H new ATOM 0 HA CYS A 172 -5.179 -6.639 -11.206 1.00 0.00 H new ATOM 0 HB2 CYS A 172 -6.977 -5.407 -10.208 1.00 0.00 H new ATOM 0 HB3 CYS A 172 -5.657 -5.424 -9.056 1.00 0.00 H new ATOM 1048 N ASN A 173 -4.321 -4.652 -13.239 1.00 0.00 N ATOM 1049 CA ASN A 173 -4.495 -4.026 -14.545 1.00 0.00 C ATOM 1050 C ASN A 173 -4.375 -5.057 -15.663 1.00 0.00 C ATOM 1051 O ASN A 173 -4.435 -4.716 -16.845 1.00 0.00 O ATOM 1052 CB ASN A 173 -3.459 -2.918 -14.744 1.00 0.00 C ATOM 1053 CG ASN A 173 -3.392 -1.970 -13.562 1.00 0.00 C ATOM 1054 OD1 ASN A 173 -4.270 -1.973 -12.699 1.00 0.00 O ATOM 1055 ND2 ASN A 173 -2.347 -1.152 -13.519 1.00 0.00 N ATOM 0 H ASN A 173 -3.354 -4.872 -13.002 1.00 0.00 H new ATOM 0 HA ASN A 173 -5.494 -3.591 -14.582 1.00 0.00 H new ATOM 0 HB2 ASN A 173 -2.478 -3.366 -14.903 1.00 0.00 H new ATOM 0 HB3 ASN A 173 -3.702 -2.355 -15.645 1.00 0.00 H new ATOM 0 HD21 ASN A 173 -2.248 -0.491 -12.748 1.00 0.00 H new ATOM 0 HD22 ASN A 173 -1.643 -1.184 -14.257 1.00 0.00 H new ATOM 1062 N HIS A 174 -4.207 -6.319 -15.281 1.00 0.00 N ATOM 1063 CA HIS A 174 -4.079 -7.400 -16.252 1.00 0.00 C ATOM 1064 C HIS A 174 -5.358 -7.548 -17.072 1.00 0.00 C ATOM 1065 O HIS A 174 -6.306 -6.781 -16.903 1.00 0.00 O ATOM 1066 CB HIS A 174 -3.761 -8.716 -15.542 1.00 0.00 C ATOM 1067 CG HIS A 174 -2.293 -8.980 -15.399 1.00 0.00 C ATOM 1068 ND1 HIS A 174 -1.507 -9.435 -16.437 1.00 0.00 N ATOM 1069 CD2 HIS A 174 -1.470 -8.849 -14.334 1.00 0.00 C ATOM 1070 CE1 HIS A 174 -0.263 -9.574 -16.014 1.00 0.00 C ATOM 1071 NE2 HIS A 174 -0.213 -9.224 -14.741 1.00 0.00 N ATOM 0 H HIS A 174 -4.156 -6.618 -14.307 1.00 0.00 H new ATOM 0 HA HIS A 174 -3.261 -7.153 -16.928 1.00 0.00 H new ATOM 0 HB2 HIS A 174 -4.218 -8.705 -14.552 1.00 0.00 H new ATOM 0 HB3 HIS A 174 -4.217 -9.537 -16.095 1.00 0.00 H new ATOM 0 HD2 HIS A 174 -1.749 -8.512 -13.347 1.00 0.00 H new ATOM 0 HE1 HIS A 174 0.572 -9.916 -16.608 1.00 0.00 H new ATOM 0 HE2 HIS A 174 0.623 -9.231 -14.156 1.00 0.00 H new ATOM 1079 N ASP A 175 -5.375 -8.536 -17.959 1.00 0.00 N ATOM 1080 CA ASP A 175 -6.537 -8.784 -18.805 1.00 0.00 C ATOM 1081 C ASP A 175 -7.389 -9.916 -18.240 1.00 0.00 C ATOM 1082 O ASP A 175 -6.890 -10.783 -17.521 1.00 0.00 O ATOM 1083 CB ASP A 175 -6.094 -9.124 -20.229 1.00 0.00 C ATOM 1084 CG ASP A 175 -7.167 -8.822 -21.257 1.00 0.00 C ATOM 1085 OD1 ASP A 175 -7.799 -7.750 -21.157 1.00 0.00 O ATOM 1086 OD2 ASP A 175 -7.375 -9.659 -22.161 1.00 0.00 O ATOM 0 H ASP A 175 -4.598 -9.179 -18.111 1.00 0.00 H new ATOM 0 HA ASP A 175 -7.140 -7.876 -18.827 1.00 0.00 H new ATOM 0 HB2 ASP A 175 -5.194 -8.559 -20.471 1.00 0.00 H new ATOM 0 HB3 ASP A 175 -5.831 -10.180 -20.282 1.00 0.00 H new