USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=16 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= -0.908 K(o=-1.2,f=-2.9!) USER MOD Set 1.2: A 127 THR OG1 : rot 180:sc= 0.126 USER MOD Set 1.3: A 173 ASN : amide:sc= -0.375 K(o=-1.2,f=-4.9) USER MOD Set 2.1: A 123 THR OG1 : rot 59:sc= 0.0859 USER MOD Set 2.2: A 124 HIS : no HD1:sc= -2.66 X(o=-2.6,f=-2.7) USER MOD Set 3.1: A 114 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Set 3.2: A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 172:sc= 0 (180deg=-0.107) USER MOD Single : A 105 GLN : amide:sc= -2.32 K(o=-2.3,f=-5.5!) 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 122 SER OG : rot -8:sc= 0.39 USER MOD Single : A 128 THR OG1 : rot 21:sc= 1.01 USER MOD Single : A 130 THR OG1 : rot 180:sc= -0.0611 USER MOD Single : A 143 THR OG1 : rot 180:sc= -0.612 USER MOD Single : A 144 LYS NZ :NH3+ -134:sc= 0.147 (180deg=-1.64) USER MOD Single : A 145 MET CE :methyl -113:sc= -0.236 (180deg=-0.879) USER MOD Single : A 147 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 163 SER OG : rot 38:sc= 0.0951 USER MOD Single : A 168 GLN : amide:sc= -0.0401 X(o=-0.04,f=0) USER MOD Single : A 169 THR OG1 : rot 180:sc= -1.37 USER MOD Single : A 170 SER OG : rot 73:sc= 1.27 USER MOD Single : A 174 HIS : no HE2:sc= -2.4 K(o=-2.4,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 100 1.273 -0.448 0.171 1.00 0.00 N ATOM 2 CA MET A 100 2.018 -0.409 -1.082 1.00 0.00 C ATOM 3 C MET A 100 1.953 -1.756 -1.796 1.00 0.00 C ATOM 4 O MET A 100 2.149 -2.804 -1.181 1.00 0.00 O ATOM 5 CB MET A 100 3.477 -0.028 -0.820 1.00 0.00 C ATOM 6 CG MET A 100 4.338 -0.028 -2.073 1.00 0.00 C ATOM 7 SD MET A 100 5.949 0.739 -1.808 1.00 0.00 S ATOM 8 CE MET A 100 6.696 -0.426 -0.672 1.00 0.00 C ATOM 0 HA MET A 100 1.562 0.345 -1.724 1.00 0.00 H new ATOM 0 HB2 MET A 100 3.510 0.963 -0.366 1.00 0.00 H new ATOM 0 HB3 MET A 100 3.902 -0.724 -0.097 1.00 0.00 H new ATOM 0 HG2 MET A 100 4.480 -1.054 -2.412 1.00 0.00 H new ATOM 0 HG3 MET A 100 3.814 0.501 -2.869 1.00 0.00 H new ATOM 0 HE1 MET A 100 7.745 -0.168 -0.524 1.00 0.00 H new ATOM 0 HE2 MET A 100 6.174 -0.387 0.284 1.00 0.00 H new ATOM 0 HE3 MET A 100 6.625 -1.433 -1.084 1.00 0.00 H new ATOM 18 N ILE A 101 1.675 -1.719 -3.094 1.00 0.00 N ATOM 19 CA ILE A 101 1.584 -2.936 -3.891 1.00 0.00 C ATOM 20 C ILE A 101 2.302 -2.774 -5.226 1.00 0.00 C ATOM 21 O ILE A 101 2.848 -1.712 -5.524 1.00 0.00 O ATOM 22 CB ILE A 101 0.119 -3.330 -4.153 1.00 0.00 C ATOM 23 CG1 ILE A 101 -0.480 -2.450 -5.253 1.00 0.00 C ATOM 24 CG2 ILE A 101 -0.697 -3.216 -2.874 1.00 0.00 C ATOM 25 CD1 ILE A 101 -1.960 -2.672 -5.466 1.00 0.00 C ATOM 0 H ILE A 101 1.509 -0.859 -3.617 1.00 0.00 H new ATOM 0 HA ILE A 101 2.066 -3.726 -3.315 1.00 0.00 H new ATOM 0 HB ILE A 101 0.092 -4.367 -4.488 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -0.311 -1.403 -5.002 1.00 0.00 H new ATOM 0 HG13 ILE A 101 0.046 -2.643 -6.188 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -1.730 -3.498 -3.075 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -0.281 -3.880 -2.116 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.665 -2.188 -2.512 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -2.316 -2.015 -6.260 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -2.135 -3.710 -5.748 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -2.497 -2.451 -4.544 1.00 0.00 H new ATOM 37 N TRP A 102 2.295 -3.833 -6.027 1.00 0.00 N ATOM 38 CA TRP A 102 2.944 -3.808 -7.333 1.00 0.00 C ATOM 39 C TRP A 102 1.916 -3.665 -8.450 1.00 0.00 C ATOM 40 O TRP A 102 0.886 -4.340 -8.449 1.00 0.00 O ATOM 41 CB TRP A 102 3.768 -5.080 -7.541 1.00 0.00 C ATOM 42 CG TRP A 102 4.921 -5.203 -6.591 1.00 0.00 C ATOM 43 CD1 TRP A 102 4.853 -5.345 -5.235 1.00 0.00 C ATOM 44 CD2 TRP A 102 6.312 -5.193 -6.927 1.00 0.00 C ATOM 45 NE1 TRP A 102 6.119 -5.424 -4.707 1.00 0.00 N ATOM 46 CE2 TRP A 102 7.032 -5.334 -5.724 1.00 0.00 C ATOM 47 CE3 TRP A 102 7.021 -5.080 -8.126 1.00 0.00 C ATOM 48 CZ2 TRP A 102 8.423 -5.364 -5.688 1.00 0.00 C ATOM 49 CZ3 TRP A 102 8.402 -5.110 -8.089 1.00 0.00 C ATOM 50 CH2 TRP A 102 9.092 -5.252 -6.877 1.00 0.00 C ATOM 0 H TRP A 102 1.847 -4.720 -5.795 1.00 0.00 H new ATOM 0 HA TRP A 102 3.608 -2.944 -7.364 1.00 0.00 H new ATOM 0 HB2 TRP A 102 3.118 -5.948 -7.427 1.00 0.00 H new ATOM 0 HB3 TRP A 102 4.146 -5.097 -8.563 1.00 0.00 H new ATOM 0 HD1 TRP A 102 3.939 -5.389 -4.662 1.00 0.00 H new ATOM 0 HE1 TRP A 102 6.343 -5.532 -3.718 1.00 0.00 H new ATOM 0 HE3 TRP A 102 6.499 -4.971 -9.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 8.956 -5.472 -4.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 8.959 -5.023 -9.010 1.00 0.00 H new ATOM 0 HH2 TRP A 102 10.172 -5.273 -6.881 1.00 0.00 H new ATOM 61 N CYS A 103 2.201 -2.783 -9.402 1.00 0.00 N ATOM 62 CA CYS A 103 1.301 -2.552 -10.525 1.00 0.00 C ATOM 63 C CYS A 103 2.086 -2.281 -11.805 1.00 0.00 C ATOM 64 O CYS A 103 3.310 -2.413 -11.835 1.00 0.00 O ATOM 65 CB CYS A 103 0.371 -1.374 -10.226 1.00 0.00 C ATOM 66 SG CYS A 103 -0.547 -1.531 -8.660 1.00 0.00 S ATOM 0 H CYS A 103 3.049 -2.216 -9.418 1.00 0.00 H new ATOM 0 HA CYS A 103 0.703 -3.452 -10.670 1.00 0.00 H new ATOM 0 HB2 CYS A 103 0.960 -0.457 -10.199 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -0.342 -1.271 -11.044 1.00 0.00 H new ATOM 71 N HIS A 104 1.374 -1.902 -12.861 1.00 0.00 N ATOM 72 CA HIS A 104 2.004 -1.611 -14.144 1.00 0.00 C ATOM 73 C HIS A 104 2.271 -0.116 -14.292 1.00 0.00 C ATOM 74 O HIS A 104 1.351 0.698 -14.217 1.00 0.00 O ATOM 75 CB HIS A 104 1.120 -2.099 -15.292 1.00 0.00 C ATOM 76 CG HIS A 104 0.989 -3.590 -15.356 1.00 0.00 C ATOM 77 ND1 HIS A 104 2.021 -4.420 -15.738 1.00 0.00 N ATOM 78 CD2 HIS A 104 -0.061 -4.399 -15.081 1.00 0.00 C ATOM 79 CE1 HIS A 104 1.612 -5.676 -15.698 1.00 0.00 C ATOM 80 NE2 HIS A 104 0.352 -5.690 -15.301 1.00 0.00 N ATOM 0 H HIS A 104 0.360 -1.789 -12.854 1.00 0.00 H new ATOM 0 HA HIS A 104 2.958 -2.138 -14.180 1.00 0.00 H new ATOM 0 HB2 HIS A 104 0.128 -1.660 -15.188 1.00 0.00 H new ATOM 0 HB3 HIS A 104 1.531 -1.738 -16.235 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -1.041 -4.087 -14.750 1.00 0.00 H new ATOM 0 HE1 HIS A 104 2.206 -6.543 -15.947 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -0.221 -6.525 -15.178 1.00 0.00 H new ATOM 88 N GLN A 105 3.535 0.236 -14.502 1.00 0.00 N ATOM 89 CA GLN A 105 3.923 1.633 -14.659 1.00 0.00 C ATOM 90 C GLN A 105 4.357 1.919 -16.092 1.00 0.00 C ATOM 91 O GLN A 105 5.287 2.692 -16.327 1.00 0.00 O ATOM 92 CB GLN A 105 5.055 1.982 -13.691 1.00 0.00 C ATOM 93 CG GLN A 105 4.571 2.349 -12.297 1.00 0.00 C ATOM 94 CD GLN A 105 4.538 1.159 -11.358 1.00 0.00 C ATOM 95 OE1 GLN A 105 5.501 0.895 -10.637 1.00 0.00 O ATOM 96 NE2 GLN A 105 3.426 0.433 -11.362 1.00 0.00 N ATOM 0 H GLN A 105 4.308 -0.426 -14.567 1.00 0.00 H new ATOM 0 HA GLN A 105 3.056 2.253 -14.431 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.735 1.133 -13.619 1.00 0.00 H new ATOM 0 HB3 GLN A 105 5.627 2.815 -14.099 1.00 0.00 H new ATOM 0 HG2 GLN A 105 5.223 3.117 -11.881 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.573 2.781 -12.365 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.652 0.688 -11.976 1.00 0.00 H new ATOM 0 HE22 GLN A 105 3.345 -0.380 -10.751 1.00 0.00 H new ATOM 105 N CYS A 106 3.679 1.293 -17.047 1.00 0.00 N ATOM 106 CA CYS A 106 3.994 1.480 -18.458 1.00 0.00 C ATOM 107 C CYS A 106 3.360 2.761 -18.993 1.00 0.00 C ATOM 108 O CYS A 106 2.515 3.370 -18.336 1.00 0.00 O ATOM 109 CB CYS A 106 3.510 0.279 -19.274 1.00 0.00 C ATOM 110 SG CYS A 106 4.537 -0.093 -20.732 1.00 0.00 S ATOM 0 H CYS A 106 2.907 0.651 -16.869 1.00 0.00 H new ATOM 0 HA CYS A 106 5.076 1.564 -18.554 1.00 0.00 H new ATOM 0 HB2 CYS A 106 3.484 -0.599 -18.628 1.00 0.00 H new ATOM 0 HB3 CYS A 106 2.487 0.464 -19.601 1.00 0.00 H new ATOM 115 N THR A 107 3.774 3.165 -20.190 1.00 0.00 N ATOM 116 CA THR A 107 3.248 4.373 -20.813 1.00 0.00 C ATOM 117 C THR A 107 1.993 4.072 -21.624 1.00 0.00 C ATOM 118 O THR A 107 0.955 4.705 -21.437 1.00 0.00 O ATOM 119 CB THR A 107 4.294 5.032 -21.732 1.00 0.00 C ATOM 120 OG1 THR A 107 5.511 5.253 -21.010 1.00 0.00 O ATOM 121 CG2 THR A 107 3.777 6.353 -22.280 1.00 0.00 C ATOM 0 H THR A 107 4.472 2.673 -20.747 1.00 0.00 H new ATOM 0 HA THR A 107 2.999 5.062 -20.006 1.00 0.00 H new ATOM 0 HB THR A 107 4.485 4.360 -22.568 1.00 0.00 H new ATOM 0 HG1 THR A 107 6.171 5.671 -21.602 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.533 6.800 -22.926 1.00 0.00 H new ATOM 0 HG22 THR A 107 2.867 6.178 -22.854 1.00 0.00 H new ATOM 0 HG23 THR A 107 3.560 7.030 -21.454 1.00 0.00 H new ATOM 129 N GLY A 108 2.096 3.100 -22.526 1.00 0.00 N ATOM 130 CA GLY A 108 0.961 2.732 -23.351 1.00 0.00 C ATOM 131 C GLY A 108 1.380 2.168 -24.695 1.00 0.00 C ATOM 132 O GLY A 108 2.054 1.140 -24.762 1.00 0.00 O ATOM 0 H GLY A 108 2.945 2.562 -22.700 1.00 0.00 H new ATOM 0 HA2 GLY A 108 0.356 1.994 -22.823 1.00 0.00 H new ATOM 0 HA3 GLY A 108 0.331 3.607 -23.508 1.00 0.00 H new ATOM 136 N PHE A 109 0.979 2.842 -25.768 1.00 0.00 N ATOM 137 CA PHE A 109 1.315 2.401 -27.117 1.00 0.00 C ATOM 138 C PHE A 109 0.678 1.048 -27.421 1.00 0.00 C ATOM 139 O PHE A 109 1.314 0.165 -27.995 1.00 0.00 O ATOM 140 CB PHE A 109 2.833 2.311 -27.284 1.00 0.00 C ATOM 141 CG PHE A 109 3.561 3.541 -26.821 1.00 0.00 C ATOM 142 CD1 PHE A 109 3.247 4.785 -27.343 1.00 0.00 C ATOM 143 CD2 PHE A 109 4.558 3.453 -25.863 1.00 0.00 C ATOM 144 CE1 PHE A 109 3.914 5.919 -26.919 1.00 0.00 C ATOM 145 CE2 PHE A 109 5.229 4.583 -25.435 1.00 0.00 C ATOM 146 CZ PHE A 109 4.907 5.818 -25.965 1.00 0.00 C ATOM 0 H PHE A 109 0.421 3.695 -25.730 1.00 0.00 H new ATOM 0 HA PHE A 109 0.922 3.135 -27.821 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.201 1.449 -26.727 1.00 0.00 H new ATOM 0 HB3 PHE A 109 3.065 2.135 -28.334 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.472 4.870 -28.090 1.00 0.00 H new ATOM 0 HD2 PHE A 109 4.814 2.490 -25.446 1.00 0.00 H new ATOM 0 HE1 PHE A 109 3.659 6.883 -27.334 1.00 0.00 H new ATOM 0 HE2 PHE A 109 6.004 4.501 -24.687 1.00 0.00 H new ATOM 0 HZ PHE A 109 5.431 6.702 -25.634 1.00 0.00 H new ATOM 156 N GLY A 110 -0.584 0.893 -27.031 1.00 0.00 N ATOM 157 CA GLY A 110 -1.286 -0.354 -27.269 1.00 0.00 C ATOM 158 C GLY A 110 -1.559 -1.120 -25.989 1.00 0.00 C ATOM 159 O GLY A 110 -2.142 -2.203 -26.018 1.00 0.00 O ATOM 0 H GLY A 110 -1.132 1.609 -26.555 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -2.230 -0.145 -27.772 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -0.697 -0.976 -27.942 1.00 0.00 H new ATOM 163 N GLY A 111 -1.136 -0.556 -24.862 1.00 0.00 N ATOM 164 CA GLY A 111 -1.345 -1.207 -23.582 1.00 0.00 C ATOM 165 C GLY A 111 -0.204 -2.132 -23.209 1.00 0.00 C ATOM 166 O GLY A 111 -0.428 -3.269 -22.791 1.00 0.00 O ATOM 0 H GLY A 111 -0.652 0.341 -24.813 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -1.462 -0.449 -22.807 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -2.274 -1.776 -23.615 1.00 0.00 H new ATOM 170 N CYS A 112 1.023 -1.646 -23.360 1.00 0.00 N ATOM 171 CA CYS A 112 2.205 -2.437 -23.038 1.00 0.00 C ATOM 172 C CYS A 112 2.146 -2.942 -21.599 1.00 0.00 C ATOM 173 O CYS A 112 1.206 -2.641 -20.863 1.00 0.00 O ATOM 174 CB CYS A 112 3.473 -1.607 -23.248 1.00 0.00 C ATOM 175 SG CYS A 112 3.494 -0.037 -22.325 1.00 0.00 S ATOM 0 H CYS A 112 1.225 -0.707 -23.704 1.00 0.00 H new ATOM 0 HA CYS A 112 2.228 -3.298 -23.706 1.00 0.00 H new ATOM 0 HB2 CYS A 112 4.337 -2.202 -22.952 1.00 0.00 H new ATOM 0 HB3 CYS A 112 3.582 -1.393 -24.311 1.00 0.00 H new ATOM 180 N SER A 113 3.156 -3.710 -21.205 1.00 0.00 N ATOM 181 CA SER A 113 3.218 -4.260 -19.856 1.00 0.00 C ATOM 182 C SER A 113 4.539 -3.899 -19.183 1.00 0.00 C ATOM 183 O SER A 113 5.562 -3.730 -19.848 1.00 0.00 O ATOM 184 CB SER A 113 3.050 -5.780 -19.894 1.00 0.00 C ATOM 185 OG SER A 113 4.244 -6.415 -20.317 1.00 0.00 O ATOM 0 H SER A 113 3.943 -3.966 -21.801 1.00 0.00 H new ATOM 0 HA SER A 113 2.404 -3.826 -19.275 1.00 0.00 H new ATOM 0 HB2 SER A 113 2.772 -6.143 -18.904 1.00 0.00 H new ATOM 0 HB3 SER A 113 2.236 -6.042 -20.570 1.00 0.00 H new ATOM 0 HG SER A 113 4.111 -7.386 -20.331 1.00 0.00 H new ATOM 191 N HIS A 114 4.509 -3.784 -17.859 1.00 0.00 N ATOM 192 CA HIS A 114 5.704 -3.444 -17.094 1.00 0.00 C ATOM 193 C HIS A 114 5.416 -3.473 -15.596 1.00 0.00 C ATOM 194 O HIS A 114 5.068 -2.454 -15.001 1.00 0.00 O ATOM 195 CB HIS A 114 6.219 -2.063 -17.500 1.00 0.00 C ATOM 196 CG HIS A 114 7.698 -1.901 -17.326 1.00 0.00 C ATOM 197 ND1 HIS A 114 8.542 -1.544 -18.357 1.00 0.00 N ATOM 198 CD2 HIS A 114 8.483 -2.047 -16.233 1.00 0.00 C ATOM 199 CE1 HIS A 114 9.782 -1.479 -17.906 1.00 0.00 C ATOM 200 NE2 HIS A 114 9.773 -1.780 -16.619 1.00 0.00 N ATOM 0 H HIS A 114 3.671 -3.921 -17.294 1.00 0.00 H new ATOM 0 HA HIS A 114 6.470 -4.188 -17.313 1.00 0.00 H new ATOM 0 HB2 HIS A 114 5.962 -1.881 -18.543 1.00 0.00 H new ATOM 0 HB3 HIS A 114 5.706 -1.305 -16.908 1.00 0.00 H new ATOM 0 HD2 HIS A 114 8.155 -2.322 -15.241 1.00 0.00 H new ATOM 0 HE1 HIS A 114 10.654 -1.224 -18.489 1.00 0.00 H new ATOM 0 HE2 HIS A 114 10.592 -1.809 -16.011 1.00 0.00 H new ATOM 208 N GLY A 115 5.564 -4.648 -14.992 1.00 0.00 N ATOM 209 CA GLY A 115 5.315 -4.788 -13.569 1.00 0.00 C ATOM 210 C GLY A 115 6.372 -4.104 -12.726 1.00 0.00 C ATOM 211 O GLY A 115 7.520 -4.545 -12.680 1.00 0.00 O ATOM 0 H GLY A 115 5.852 -5.506 -15.463 1.00 0.00 H new ATOM 0 HA2 GLY A 115 4.337 -4.368 -13.331 1.00 0.00 H new ATOM 0 HA3 GLY A 115 5.279 -5.847 -13.312 1.00 0.00 H new ATOM 215 N SER A 116 5.985 -3.022 -12.058 1.00 0.00 N ATOM 216 CA SER A 116 6.910 -2.272 -11.216 1.00 0.00 C ATOM 217 C SER A 116 6.289 -1.979 -9.854 1.00 0.00 C ATOM 218 O SER A 116 5.078 -2.102 -9.672 1.00 0.00 O ATOM 219 CB SER A 116 7.308 -0.963 -11.900 1.00 0.00 C ATOM 220 OG SER A 116 8.468 -1.135 -12.695 1.00 0.00 O ATOM 0 H SER A 116 5.038 -2.645 -12.083 1.00 0.00 H new ATOM 0 HA SER A 116 7.801 -2.881 -11.066 1.00 0.00 H new ATOM 0 HB2 SER A 116 6.486 -0.610 -12.522 1.00 0.00 H new ATOM 0 HB3 SER A 116 7.490 -0.196 -11.147 1.00 0.00 H new ATOM 0 HG SER A 116 8.701 -0.284 -13.123 1.00 0.00 H new ATOM 226 N ARG A 117 7.128 -1.590 -8.899 1.00 0.00 N ATOM 227 CA ARG A 117 6.663 -1.280 -7.553 1.00 0.00 C ATOM 228 C ARG A 117 5.991 0.089 -7.511 1.00 0.00 C ATOM 229 O ARG A 117 6.429 1.028 -8.177 1.00 0.00 O ATOM 230 CB ARG A 117 7.831 -1.317 -6.566 1.00 0.00 C ATOM 231 CG ARG A 117 7.595 -0.493 -5.311 1.00 0.00 C ATOM 232 CD ARG A 117 8.707 -0.694 -4.294 1.00 0.00 C ATOM 233 NE ARG A 117 8.660 -2.022 -3.688 1.00 0.00 N ATOM 234 CZ ARG A 117 9.636 -2.523 -2.938 1.00 0.00 C ATOM 235 NH1 ARG A 117 10.729 -1.809 -2.703 1.00 0.00 N ATOM 236 NH2 ARG A 117 9.520 -3.739 -2.421 1.00 0.00 N ATOM 0 H ARG A 117 8.133 -1.482 -9.033 1.00 0.00 H new ATOM 0 HA ARG A 117 5.930 -2.034 -7.267 1.00 0.00 H new ATOM 0 HB2 ARG A 117 8.022 -2.352 -6.281 1.00 0.00 H new ATOM 0 HB3 ARG A 117 8.729 -0.954 -7.065 1.00 0.00 H new ATOM 0 HG2 ARG A 117 7.529 0.562 -5.575 1.00 0.00 H new ATOM 0 HG3 ARG A 117 6.639 -0.771 -4.866 1.00 0.00 H new ATOM 0 HD2 ARG A 117 9.672 -0.551 -4.779 1.00 0.00 H new ATOM 0 HD3 ARG A 117 8.627 0.063 -3.514 1.00 0.00 H new ATOM 0 HE ARG A 117 7.833 -2.596 -3.849 1.00 0.00 H new ATOM 0 HH11 ARG A 117 10.822 -0.873 -3.098 1.00 0.00 H new ATOM 0 HH12 ARG A 117 11.477 -2.196 -2.127 1.00 0.00 H new ATOM 0 HH21 ARG A 117 8.681 -4.291 -2.599 1.00 0.00 H new ATOM 0 HH22 ARG A 117 10.270 -4.122 -1.846 1.00 0.00 H new ATOM 250 N CYS A 118 4.925 0.196 -6.725 1.00 0.00 N ATOM 251 CA CYS A 118 4.191 1.449 -6.597 1.00 0.00 C ATOM 252 C CYS A 118 4.782 2.314 -5.487 1.00 0.00 C ATOM 253 O CYS A 118 5.817 1.980 -4.908 1.00 0.00 O ATOM 254 CB CYS A 118 2.714 1.172 -6.310 1.00 0.00 C ATOM 255 SG CYS A 118 1.848 0.295 -7.651 1.00 0.00 S ATOM 0 H CYS A 118 4.550 -0.571 -6.167 1.00 0.00 H new ATOM 0 HA CYS A 118 4.276 1.989 -7.540 1.00 0.00 H new ATOM 0 HB2 CYS A 118 2.637 0.583 -5.396 1.00 0.00 H new ATOM 0 HB3 CYS A 118 2.207 2.119 -6.123 1.00 0.00 H new ATOM 260 N LEU A 119 4.119 3.428 -5.197 1.00 0.00 N ATOM 261 CA LEU A 119 4.578 4.342 -4.156 1.00 0.00 C ATOM 262 C LEU A 119 4.083 3.898 -2.784 1.00 0.00 C ATOM 263 O LEU A 119 2.977 3.372 -2.652 1.00 0.00 O ATOM 264 CB LEU A 119 4.094 5.763 -4.450 1.00 0.00 C ATOM 265 CG LEU A 119 5.047 6.642 -5.262 1.00 0.00 C ATOM 266 CD1 LEU A 119 5.846 5.798 -6.243 1.00 0.00 C ATOM 267 CD2 LEU A 119 4.275 7.729 -5.995 1.00 0.00 C ATOM 0 H LEU A 119 3.262 3.720 -5.667 1.00 0.00 H new ATOM 0 HA LEU A 119 5.668 4.329 -4.150 1.00 0.00 H new ATOM 0 HB2 LEU A 119 3.146 5.699 -4.984 1.00 0.00 H new ATOM 0 HB3 LEU A 119 3.892 6.260 -3.501 1.00 0.00 H new ATOM 0 HG LEU A 119 5.745 7.121 -4.575 1.00 0.00 H new ATOM 0 HD11 LEU A 119 6.518 6.440 -6.812 1.00 0.00 H new ATOM 0 HD12 LEU A 119 6.429 5.057 -5.695 1.00 0.00 H new ATOM 0 HD13 LEU A 119 5.164 5.291 -6.926 1.00 0.00 H new ATOM 0 HD21 LEU A 119 4.969 8.345 -6.567 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.554 7.270 -6.671 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.749 8.352 -5.272 1.00 0.00 H new ATOM 279 N ARG A 120 4.907 4.114 -1.764 1.00 0.00 N ATOM 280 CA ARG A 120 4.553 3.737 -0.401 1.00 0.00 C ATOM 281 C ARG A 120 3.171 4.269 -0.032 1.00 0.00 C ATOM 282 O ARG A 120 2.457 3.666 0.769 1.00 0.00 O ATOM 283 CB ARG A 120 5.596 4.267 0.585 1.00 0.00 C ATOM 284 CG ARG A 120 5.632 3.507 1.900 1.00 0.00 C ATOM 285 CD ARG A 120 6.148 4.379 3.034 1.00 0.00 C ATOM 286 NE ARG A 120 5.207 5.440 3.380 1.00 0.00 N ATOM 287 CZ ARG A 120 5.316 6.194 4.468 1.00 0.00 C ATOM 288 NH1 ARG A 120 6.321 6.004 5.312 1.00 0.00 N ATOM 289 NH2 ARG A 120 4.419 7.140 4.714 1.00 0.00 N ATOM 0 H ARG A 120 5.825 4.549 -1.856 1.00 0.00 H new ATOM 0 HA ARG A 120 4.531 2.649 -0.345 1.00 0.00 H new ATOM 0 HB2 ARG A 120 6.581 4.219 0.120 1.00 0.00 H new ATOM 0 HB3 ARG A 120 5.391 5.318 0.788 1.00 0.00 H new ATOM 0 HG2 ARG A 120 4.631 3.149 2.142 1.00 0.00 H new ATOM 0 HG3 ARG A 120 6.269 2.629 1.796 1.00 0.00 H new ATOM 0 HD2 ARG A 120 6.335 3.760 3.911 1.00 0.00 H new ATOM 0 HD3 ARG A 120 7.102 4.820 2.747 1.00 0.00 H new ATOM 0 HE ARG A 120 4.422 5.612 2.751 1.00 0.00 H new ATOM 0 HH11 ARG A 120 7.013 5.278 5.126 1.00 0.00 H new ATOM 0 HH12 ARG A 120 6.403 6.584 6.147 1.00 0.00 H new ATOM 0 HH21 ARG A 120 3.644 7.289 4.067 1.00 0.00 H new ATOM 0 HH22 ARG A 120 4.504 7.718 5.550 1.00 0.00 H new ATOM 303 N ASP A 121 2.802 5.401 -0.621 1.00 0.00 N ATOM 304 CA ASP A 121 1.506 6.014 -0.354 1.00 0.00 C ATOM 305 C ASP A 121 0.408 5.340 -1.171 1.00 0.00 C ATOM 306 O ASP A 121 -0.685 5.082 -0.667 1.00 0.00 O ATOM 307 CB ASP A 121 1.550 7.510 -0.672 1.00 0.00 C ATOM 308 CG ASP A 121 2.070 7.790 -2.068 1.00 0.00 C ATOM 309 OD1 ASP A 121 1.272 7.714 -3.025 1.00 0.00 O ATOM 310 OD2 ASP A 121 3.277 8.084 -2.204 1.00 0.00 O ATOM 0 H ASP A 121 3.382 5.913 -1.286 1.00 0.00 H new ATOM 0 HA ASP A 121 1.280 5.882 0.704 1.00 0.00 H new ATOM 0 HB2 ASP A 121 0.549 7.930 -0.569 1.00 0.00 H new ATOM 0 HB3 ASP A 121 2.184 8.015 0.057 1.00 0.00 H new ATOM 315 N SER A 122 0.706 5.060 -2.436 1.00 0.00 N ATOM 316 CA SER A 122 -0.258 4.420 -3.325 1.00 0.00 C ATOM 317 C SER A 122 -0.440 2.950 -2.961 1.00 0.00 C ATOM 318 O SER A 122 0.525 2.248 -2.658 1.00 0.00 O ATOM 319 CB SER A 122 0.198 4.545 -4.780 1.00 0.00 C ATOM 320 OG SER A 122 1.477 3.963 -4.965 1.00 0.00 O ATOM 0 H SER A 122 1.607 5.266 -2.868 1.00 0.00 H new ATOM 0 HA SER A 122 -1.216 4.926 -3.207 1.00 0.00 H new ATOM 0 HB2 SER A 122 -0.525 4.058 -5.434 1.00 0.00 H new ATOM 0 HB3 SER A 122 0.229 5.596 -5.066 1.00 0.00 H new ATOM 0 HG SER A 122 1.855 3.720 -4.094 1.00 0.00 H new ATOM 326 N THR A 123 -1.687 2.490 -2.992 1.00 0.00 N ATOM 327 CA THR A 123 -1.998 1.104 -2.664 1.00 0.00 C ATOM 328 C THR A 123 -2.932 0.491 -3.701 1.00 0.00 C ATOM 329 O THR A 123 -3.418 -0.628 -3.530 1.00 0.00 O ATOM 330 CB THR A 123 -2.648 0.988 -1.273 1.00 0.00 C ATOM 331 OG1 THR A 123 -3.313 2.211 -0.939 1.00 0.00 O ATOM 332 CG2 THR A 123 -1.605 0.667 -0.213 1.00 0.00 C ATOM 0 H THR A 123 -2.498 3.057 -3.241 1.00 0.00 H new ATOM 0 HA THR A 123 -1.053 0.560 -2.662 1.00 0.00 H new ATOM 0 HB THR A 123 -3.375 0.176 -1.303 1.00 0.00 H new ATOM 0 HG1 THR A 123 -3.991 2.411 -1.618 1.00 0.00 H new ATOM 0 HG21 THR A 123 -2.088 0.590 0.761 1.00 0.00 H new ATOM 0 HG22 THR A 123 -1.121 -0.279 -0.454 1.00 0.00 H new ATOM 0 HG23 THR A 123 -0.858 1.460 -0.186 1.00 0.00 H new ATOM 340 N HIS A 124 -3.179 1.229 -4.779 1.00 0.00 N ATOM 341 CA HIS A 124 -4.055 0.756 -5.845 1.00 0.00 C ATOM 342 C HIS A 124 -3.420 0.989 -7.213 1.00 0.00 C ATOM 343 O HIS A 124 -2.333 1.559 -7.316 1.00 0.00 O ATOM 344 CB HIS A 124 -5.409 1.461 -5.772 1.00 0.00 C ATOM 345 CG HIS A 124 -6.099 1.299 -4.453 1.00 0.00 C ATOM 346 ND1 HIS A 124 -5.606 1.825 -3.277 1.00 0.00 N ATOM 347 CD2 HIS A 124 -7.250 0.667 -4.127 1.00 0.00 C ATOM 348 CE1 HIS A 124 -6.424 1.522 -2.285 1.00 0.00 C ATOM 349 NE2 HIS A 124 -7.430 0.819 -2.774 1.00 0.00 N ATOM 0 H HIS A 124 -2.785 2.156 -4.937 1.00 0.00 H new ATOM 0 HA HIS A 124 -4.204 -0.315 -5.710 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.267 2.523 -5.970 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -6.054 1.073 -6.560 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -7.906 0.141 -4.805 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -6.293 1.801 -1.250 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -8.213 0.449 -2.235 1.00 0.00 H new ATOM 357 N CYS A 125 -4.104 0.544 -8.261 1.00 0.00 N ATOM 358 CA CYS A 125 -3.608 0.702 -9.623 1.00 0.00 C ATOM 359 C CYS A 125 -4.658 1.362 -10.512 1.00 0.00 C ATOM 360 O CYS A 125 -5.838 1.015 -10.460 1.00 0.00 O ATOM 361 CB CYS A 125 -3.212 -0.657 -10.205 1.00 0.00 C ATOM 362 SG CYS A 125 -2.409 -1.772 -9.010 1.00 0.00 S ATOM 0 H CYS A 125 -5.005 0.070 -8.193 1.00 0.00 H new ATOM 0 HA CYS A 125 -2.729 1.346 -9.590 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -4.103 -1.145 -10.599 1.00 0.00 H new ATOM 0 HB3 CYS A 125 -2.538 -0.497 -11.046 1.00 0.00 H new ATOM 367 N VAL A 126 -4.219 2.316 -11.327 1.00 0.00 N ATOM 368 CA VAL A 126 -5.120 3.024 -12.229 1.00 0.00 C ATOM 369 C VAL A 126 -4.846 2.654 -13.682 1.00 0.00 C ATOM 370 O VAL A 126 -3.695 2.483 -14.085 1.00 0.00 O ATOM 371 CB VAL A 126 -4.991 4.550 -12.066 1.00 0.00 C ATOM 372 CG1 VAL A 126 -5.935 5.271 -13.018 1.00 0.00 C ATOM 373 CG2 VAL A 126 -5.261 4.957 -10.625 1.00 0.00 C ATOM 0 H VAL A 126 -3.246 2.616 -11.381 1.00 0.00 H new ATOM 0 HA VAL A 126 -6.134 2.722 -11.966 1.00 0.00 H new ATOM 0 HB VAL A 126 -3.970 4.839 -12.316 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -5.830 6.348 -12.888 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -5.690 5.003 -14.046 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -6.963 4.978 -12.802 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -5.165 6.038 -10.528 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -6.270 4.655 -10.345 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -4.541 4.469 -9.968 1.00 0.00 H new ATOM 383 N THR A 127 -5.912 2.532 -14.467 1.00 0.00 N ATOM 384 CA THR A 127 -5.787 2.182 -15.877 1.00 0.00 C ATOM 385 C THR A 127 -6.563 3.155 -16.756 1.00 0.00 C ATOM 386 O THR A 127 -7.788 3.074 -16.860 1.00 0.00 O ATOM 387 CB THR A 127 -6.290 0.751 -16.146 1.00 0.00 C ATOM 388 OG1 THR A 127 -5.671 -0.165 -15.237 1.00 0.00 O ATOM 389 CG2 THR A 127 -5.990 0.333 -17.578 1.00 0.00 C ATOM 0 H THR A 127 -6.872 2.670 -14.150 1.00 0.00 H new ATOM 0 HA THR A 127 -4.727 2.240 -16.125 1.00 0.00 H new ATOM 0 HB THR A 127 -7.370 0.735 -15.998 1.00 0.00 H new ATOM 0 HG1 THR A 127 -5.997 -1.072 -15.414 1.00 0.00 H new ATOM 0 HG21 THR A 127 -6.354 -0.681 -17.745 1.00 0.00 H new ATOM 0 HG22 THR A 127 -6.487 1.015 -18.268 1.00 0.00 H new ATOM 0 HG23 THR A 127 -4.914 0.365 -17.748 1.00 0.00 H new ATOM 397 N THR A 128 -5.844 4.077 -17.389 1.00 0.00 N ATOM 398 CA THR A 128 -6.465 5.067 -18.260 1.00 0.00 C ATOM 399 C THR A 128 -6.290 4.695 -19.728 1.00 0.00 C ATOM 400 O THR A 128 -5.197 4.812 -20.281 1.00 0.00 O ATOM 401 CB THR A 128 -5.877 6.471 -18.023 1.00 0.00 C ATOM 402 OG1 THR A 128 -4.499 6.496 -18.411 1.00 0.00 O ATOM 403 CG2 THR A 128 -6.006 6.872 -16.562 1.00 0.00 C ATOM 0 H THR A 128 -4.830 4.158 -17.314 1.00 0.00 H new ATOM 0 HA THR A 128 -7.527 5.081 -18.016 1.00 0.00 H new ATOM 0 HB THR A 128 -6.437 7.183 -18.629 1.00 0.00 H new ATOM 0 HG1 THR A 128 -4.321 5.761 -19.035 1.00 0.00 H new ATOM 0 HG21 THR A 128 -5.584 7.867 -16.419 1.00 0.00 H new ATOM 0 HG22 THR A 128 -7.058 6.880 -16.278 1.00 0.00 H new ATOM 0 HG23 THR A 128 -5.468 6.157 -15.940 1.00 0.00 H new ATOM 411 N ALA A 129 -7.374 4.248 -20.353 1.00 0.00 N ATOM 412 CA ALA A 129 -7.340 3.862 -21.759 1.00 0.00 C ATOM 413 C ALA A 129 -8.010 4.916 -22.634 1.00 0.00 C ATOM 414 O ALA A 129 -9.237 5.020 -22.670 1.00 0.00 O ATOM 415 CB ALA A 129 -8.010 2.510 -21.951 1.00 0.00 C ATOM 0 H ALA A 129 -8.286 4.144 -19.909 1.00 0.00 H new ATOM 0 HA ALA A 129 -6.296 3.785 -22.064 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -7.977 2.234 -23.005 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -7.485 1.757 -21.363 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -9.048 2.568 -21.623 1.00 0.00 H new ATOM 421 N THR A 130 -7.197 5.698 -23.338 1.00 0.00 N ATOM 422 CA THR A 130 -7.711 6.745 -24.212 1.00 0.00 C ATOM 423 C THR A 130 -7.377 6.457 -25.671 1.00 0.00 C ATOM 424 O THR A 130 -6.564 5.582 -25.970 1.00 0.00 O ATOM 425 CB THR A 130 -7.144 8.125 -23.829 1.00 0.00 C ATOM 426 OG1 THR A 130 -5.723 8.136 -24.005 1.00 0.00 O ATOM 427 CG2 THR A 130 -7.484 8.468 -22.387 1.00 0.00 C ATOM 0 H THR A 130 -6.180 5.626 -23.320 1.00 0.00 H new ATOM 0 HA THR A 130 -8.794 6.758 -24.087 1.00 0.00 H new ATOM 0 HB THR A 130 -7.596 8.873 -24.480 1.00 0.00 H new ATOM 0 HG1 THR A 130 -5.370 9.017 -23.761 1.00 0.00 H new ATOM 0 HG21 THR A 130 -7.073 9.447 -22.139 1.00 0.00 H new ATOM 0 HG22 THR A 130 -8.567 8.487 -22.263 1.00 0.00 H new ATOM 0 HG23 THR A 130 -7.056 7.716 -21.724 1.00 0.00 H new ATOM 579 N PRO A 140 -4.699 3.001 -29.337 1.00 0.00 N ATOM 580 CA PRO A 140 -5.103 3.881 -28.237 1.00 0.00 C ATOM 581 C PRO A 140 -4.062 3.932 -27.124 1.00 0.00 C ATOM 582 O PRO A 140 -3.404 2.934 -26.829 1.00 0.00 O ATOM 583 CB PRO A 140 -6.398 3.243 -27.729 1.00 0.00 C ATOM 584 CG PRO A 140 -6.288 1.807 -28.109 1.00 0.00 C ATOM 585 CD PRO A 140 -5.519 1.779 -29.401 1.00 0.00 C ATOM 0 HA PRO A 140 -5.221 4.914 -28.564 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -6.500 3.360 -26.650 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -7.273 3.707 -28.184 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -5.773 1.237 -27.336 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -7.274 1.359 -28.232 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -4.901 0.884 -29.482 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -6.184 1.786 -30.265 1.00 0.00 H new ATOM 593 N LEU A 141 -3.918 5.101 -26.508 1.00 0.00 N ATOM 594 CA LEU A 141 -2.956 5.282 -25.426 1.00 0.00 C ATOM 595 C LEU A 141 -3.465 4.649 -24.134 1.00 0.00 C ATOM 596 O LEU A 141 -4.639 4.779 -23.787 1.00 0.00 O ATOM 597 CB LEU A 141 -2.682 6.770 -25.205 1.00 0.00 C ATOM 598 CG LEU A 141 -1.376 7.113 -24.488 1.00 0.00 C ATOM 599 CD1 LEU A 141 -1.453 6.720 -23.021 1.00 0.00 C ATOM 600 CD2 LEU A 141 -0.199 6.424 -25.165 1.00 0.00 C ATOM 0 H LEU A 141 -4.455 5.937 -26.739 1.00 0.00 H new ATOM 0 HA LEU A 141 -2.028 4.787 -25.711 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -2.682 7.267 -26.175 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -3.509 7.190 -24.632 1.00 0.00 H new ATOM 0 HG LEU A 141 -1.224 8.191 -24.547 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -0.514 6.972 -22.527 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -2.271 7.259 -22.542 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -1.629 5.647 -22.940 1.00 0.00 H new ATOM 0 HD21 LEU A 141 0.722 6.679 -24.641 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -0.345 5.344 -25.137 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -0.131 6.755 -26.201 1.00 0.00 H new ATOM 612 N VAL A 142 -2.573 3.966 -23.425 1.00 0.00 N ATOM 613 CA VAL A 142 -2.930 3.316 -22.169 1.00 0.00 C ATOM 614 C VAL A 142 -1.854 3.533 -21.112 1.00 0.00 C ATOM 615 O VAL A 142 -0.836 2.840 -21.094 1.00 0.00 O ATOM 616 CB VAL A 142 -3.147 1.803 -22.362 1.00 0.00 C ATOM 617 CG1 VAL A 142 -3.338 1.115 -21.019 1.00 0.00 C ATOM 618 CG2 VAL A 142 -4.337 1.548 -23.275 1.00 0.00 C ATOM 0 H VAL A 142 -1.597 3.848 -23.698 1.00 0.00 H new ATOM 0 HA VAL A 142 -3.862 3.769 -21.832 1.00 0.00 H new ATOM 0 HB VAL A 142 -2.259 1.384 -22.835 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -3.490 0.047 -21.176 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -2.453 1.269 -20.402 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -4.209 1.535 -20.515 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -4.476 0.474 -23.400 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -5.234 1.981 -22.833 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -4.155 2.006 -24.247 1.00 0.00 H new ATOM 628 N THR A 143 -2.085 4.500 -20.230 1.00 0.00 N ATOM 629 CA THR A 143 -1.135 4.810 -19.169 1.00 0.00 C ATOM 630 C THR A 143 -1.520 4.118 -17.867 1.00 0.00 C ATOM 631 O THR A 143 -2.627 4.297 -17.360 1.00 0.00 O ATOM 632 CB THR A 143 -1.043 6.328 -18.922 1.00 0.00 C ATOM 633 OG1 THR A 143 -0.990 7.025 -20.172 1.00 0.00 O ATOM 634 CG2 THR A 143 0.186 6.668 -18.093 1.00 0.00 C ATOM 0 H THR A 143 -2.922 5.082 -20.229 1.00 0.00 H new ATOM 0 HA THR A 143 -0.163 4.444 -19.499 1.00 0.00 H new ATOM 0 HB THR A 143 -1.930 6.639 -18.371 1.00 0.00 H new ATOM 0 HG1 THR A 143 -0.933 7.989 -20.007 1.00 0.00 H new ATOM 0 HG21 THR A 143 0.229 7.745 -17.932 1.00 0.00 H new ATOM 0 HG22 THR A 143 0.128 6.159 -17.131 1.00 0.00 H new ATOM 0 HG23 THR A 143 1.082 6.344 -18.622 1.00 0.00 H new ATOM 642 N LYS A 144 -0.599 3.326 -17.328 1.00 0.00 N ATOM 643 CA LYS A 144 -0.840 2.607 -16.083 1.00 0.00 C ATOM 644 C LYS A 144 0.029 3.160 -14.958 1.00 0.00 C ATOM 645 O LYS A 144 1.212 3.438 -15.155 1.00 0.00 O ATOM 646 CB LYS A 144 -0.563 1.114 -16.270 1.00 0.00 C ATOM 647 CG LYS A 144 -1.322 0.494 -17.431 1.00 0.00 C ATOM 648 CD LYS A 144 -0.694 -0.817 -17.872 1.00 0.00 C ATOM 649 CE LYS A 144 -0.912 -1.069 -19.356 1.00 0.00 C ATOM 650 NZ LYS A 144 -0.127 -0.126 -20.200 1.00 0.00 N ATOM 0 H LYS A 144 0.323 3.166 -17.735 1.00 0.00 H new ATOM 0 HA LYS A 144 -1.886 2.744 -15.810 1.00 0.00 H new ATOM 0 HB2 LYS A 144 0.506 0.968 -16.427 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -0.825 0.587 -15.353 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -2.358 0.322 -17.139 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -1.339 1.191 -18.269 1.00 0.00 H new ATOM 0 HD2 LYS A 144 0.375 -0.800 -17.658 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -1.121 -1.638 -17.296 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -0.628 -2.094 -19.596 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -1.972 -0.969 -19.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -0.734 0.252 -20.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 0.222 0.658 -19.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 0.680 -0.628 -20.623 1.00 0.00 H new ATOM 664 N MET A 145 -0.564 3.315 -13.779 1.00 0.00 N ATOM 665 CA MET A 145 0.159 3.832 -12.623 1.00 0.00 C ATOM 666 C MET A 145 -0.519 3.407 -11.324 1.00 0.00 C ATOM 667 O MET A 145 -1.413 2.560 -11.327 1.00 0.00 O ATOM 668 CB MET A 145 0.247 5.358 -12.690 1.00 0.00 C ATOM 669 CG MET A 145 -1.010 6.061 -12.205 1.00 0.00 C ATOM 670 SD MET A 145 -1.298 7.629 -13.048 1.00 0.00 S ATOM 671 CE MET A 145 -1.600 7.065 -14.720 1.00 0.00 C ATOM 0 H MET A 145 -1.542 3.090 -13.599 1.00 0.00 H new ATOM 0 HA MET A 145 1.166 3.416 -12.640 1.00 0.00 H new ATOM 0 HB2 MET A 145 1.094 5.692 -12.091 1.00 0.00 H new ATOM 0 HB3 MET A 145 0.447 5.657 -13.719 1.00 0.00 H new ATOM 0 HG2 MET A 145 -1.869 5.408 -12.358 1.00 0.00 H new ATOM 0 HG3 MET A 145 -0.931 6.239 -11.132 1.00 0.00 H new ATOM 0 HE1 MET A 145 -0.789 7.398 -15.368 1.00 0.00 H new ATOM 0 HE2 MET A 145 -1.651 5.976 -14.733 1.00 0.00 H new ATOM 0 HE3 MET A 145 -2.543 7.477 -15.078 1.00 0.00 H new ATOM 681 N CYS A 146 -0.087 3.999 -10.215 1.00 0.00 N ATOM 682 CA CYS A 146 -0.651 3.681 -8.909 1.00 0.00 C ATOM 683 C CYS A 146 -1.192 4.936 -8.231 1.00 0.00 C ATOM 684 O CYS A 146 -0.747 6.049 -8.513 1.00 0.00 O ATOM 685 CB CYS A 146 0.406 3.023 -8.020 1.00 0.00 C ATOM 686 SG CYS A 146 1.550 1.924 -8.915 1.00 0.00 S ATOM 0 H CYS A 146 0.652 4.702 -10.195 1.00 0.00 H new ATOM 0 HA CYS A 146 -1.476 2.984 -9.057 1.00 0.00 H new ATOM 0 HB2 CYS A 146 0.983 3.802 -7.522 1.00 0.00 H new ATOM 0 HB3 CYS A 146 -0.096 2.450 -7.240 1.00 0.00 H new ATOM 691 N HIS A 147 -2.155 4.749 -7.334 1.00 0.00 N ATOM 692 CA HIS A 147 -2.757 5.866 -6.614 1.00 0.00 C ATOM 693 C HIS A 147 -3.544 5.371 -5.403 1.00 0.00 C ATOM 694 O HIS A 147 -3.842 4.182 -5.289 1.00 0.00 O ATOM 695 CB HIS A 147 -3.674 6.663 -7.541 1.00 0.00 C ATOM 696 CG HIS A 147 -3.756 8.119 -7.197 1.00 0.00 C ATOM 697 ND1 HIS A 147 -4.774 8.657 -6.439 1.00 0.00 N ATOM 698 CD2 HIS A 147 -2.937 9.150 -7.511 1.00 0.00 C ATOM 699 CE1 HIS A 147 -4.578 9.956 -6.303 1.00 0.00 C ATOM 700 NE2 HIS A 147 -3.470 10.281 -6.944 1.00 0.00 N ATOM 0 H HIS A 147 -2.535 3.835 -7.088 1.00 0.00 H new ATOM 0 HA HIS A 147 -1.954 6.515 -6.264 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -3.319 6.560 -8.566 1.00 0.00 H new ATOM 0 HB3 HIS A 147 -4.675 6.233 -7.506 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -2.032 9.093 -8.098 1.00 0.00 H new ATOM 0 HE1 HIS A 147 -5.216 10.637 -5.760 1.00 0.00 H new ATOM 0 HE2 HIS A 147 -3.075 11.219 -7.007 1.00 0.00 H new ATOM 708 N ILE A 148 -3.875 6.291 -4.503 1.00 0.00 N ATOM 709 CA ILE A 148 -4.626 5.947 -3.302 1.00 0.00 C ATOM 710 C ILE A 148 -6.127 6.075 -3.538 1.00 0.00 C ATOM 711 O ILE A 148 -6.851 6.628 -2.711 1.00 0.00 O ATOM 712 CB ILE A 148 -4.226 6.841 -2.113 1.00 0.00 C ATOM 713 CG1 ILE A 148 -2.709 7.034 -2.080 1.00 0.00 C ATOM 714 CG2 ILE A 148 -4.718 6.235 -0.807 1.00 0.00 C ATOM 715 CD1 ILE A 148 -2.237 7.913 -0.943 1.00 0.00 C ATOM 0 H ILE A 148 -3.635 7.279 -4.583 1.00 0.00 H new ATOM 0 HA ILE A 148 -4.385 4.911 -3.064 1.00 0.00 H new ATOM 0 HB ILE A 148 -4.694 7.817 -2.237 1.00 0.00 H new ATOM 0 HG12 ILE A 148 -2.228 6.059 -1.999 1.00 0.00 H new ATOM 0 HG13 ILE A 148 -2.386 7.471 -3.025 1.00 0.00 H new ATOM 0 HG21 ILE A 148 -4.428 6.878 0.024 1.00 0.00 H new ATOM 0 HG22 ILE A 148 -5.804 6.145 -0.834 1.00 0.00 H new ATOM 0 HG23 ILE A 148 -4.275 5.248 -0.674 1.00 0.00 H new ATOM 0 HD11 ILE A 148 -1.152 8.006 -0.981 1.00 0.00 H new ATOM 0 HD12 ILE A 148 -2.689 8.900 -1.035 1.00 0.00 H new ATOM 0 HD13 ILE A 148 -2.530 7.467 0.007 1.00 0.00 H new ATOM 727 N GLY A 149 -6.589 5.558 -4.672 1.00 0.00 N ATOM 728 CA GLY A 149 -8.002 5.623 -4.996 1.00 0.00 C ATOM 729 C GLY A 149 -8.267 5.443 -6.478 1.00 0.00 C ATOM 730 O GLY A 149 -7.940 4.404 -7.052 1.00 0.00 O ATOM 0 H GLY A 149 -6.010 5.095 -5.372 1.00 0.00 H new ATOM 0 HA2 GLY A 149 -8.535 4.853 -4.439 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -8.402 6.584 -4.673 1.00 0.00 H new ATOM 734 N CYS A 150 -8.861 6.456 -7.099 1.00 0.00 N ATOM 735 CA CYS A 150 -9.172 6.405 -8.522 1.00 0.00 C ATOM 736 C CYS A 150 -9.464 7.800 -9.066 1.00 0.00 C ATOM 737 O CYS A 150 -10.608 8.156 -9.350 1.00 0.00 O ATOM 738 CB CYS A 150 -10.371 5.488 -8.771 1.00 0.00 C ATOM 739 SG CYS A 150 -10.817 5.308 -10.528 1.00 0.00 S ATOM 0 H CYS A 150 -9.137 7.323 -6.638 1.00 0.00 H new ATOM 0 HA CYS A 150 -8.302 6.005 -9.044 1.00 0.00 H new ATOM 0 HB2 CYS A 150 -10.153 4.502 -8.360 1.00 0.00 H new ATOM 0 HB3 CYS A 150 -11.232 5.877 -8.227 1.00 0.00 H new ATOM 917 N SER A 163 -11.889 6.614 -20.526 1.00 0.00 N ATOM 918 CA SER A 163 -12.101 5.313 -19.903 1.00 0.00 C ATOM 919 C SER A 163 -11.170 5.124 -18.709 1.00 0.00 C ATOM 920 O SER A 163 -9.970 4.899 -18.873 1.00 0.00 O ATOM 921 CB SER A 163 -11.876 4.194 -20.921 1.00 0.00 C ATOM 922 OG SER A 163 -12.714 4.357 -22.052 1.00 0.00 O ATOM 0 HA SER A 163 -13.131 5.271 -19.549 1.00 0.00 H new ATOM 0 HB2 SER A 163 -10.832 4.189 -21.236 1.00 0.00 H new ATOM 0 HB3 SER A 163 -12.073 3.229 -20.455 1.00 0.00 H new ATOM 0 HG SER A 163 -12.791 5.310 -22.268 1.00 0.00 H new ATOM 928 N ILE A 164 -11.731 5.217 -17.508 1.00 0.00 N ATOM 929 CA ILE A 164 -10.953 5.056 -16.287 1.00 0.00 C ATOM 930 C ILE A 164 -11.319 3.762 -15.568 1.00 0.00 C ATOM 931 O ILE A 164 -12.485 3.521 -15.257 1.00 0.00 O ATOM 932 CB ILE A 164 -11.162 6.240 -15.325 1.00 0.00 C ATOM 933 CG1 ILE A 164 -10.972 7.566 -16.065 1.00 0.00 C ATOM 934 CG2 ILE A 164 -10.203 6.143 -14.148 1.00 0.00 C ATOM 935 CD1 ILE A 164 -11.255 8.781 -15.210 1.00 0.00 C ATOM 0 H ILE A 164 -12.722 5.403 -17.355 1.00 0.00 H new ATOM 0 HA ILE A 164 -9.905 5.020 -16.584 1.00 0.00 H new ATOM 0 HB ILE A 164 -12.182 6.201 -14.942 1.00 0.00 H new ATOM 0 HG12 ILE A 164 -9.948 7.623 -16.435 1.00 0.00 H new ATOM 0 HG13 ILE A 164 -11.627 7.584 -16.936 1.00 0.00 H new ATOM 0 HG21 ILE A 164 -10.363 6.987 -13.477 1.00 0.00 H new ATOM 0 HG22 ILE A 164 -10.381 5.212 -13.609 1.00 0.00 H new ATOM 0 HG23 ILE A 164 -9.176 6.160 -14.513 1.00 0.00 H new ATOM 0 HD11 ILE A 164 -11.100 9.685 -15.799 1.00 0.00 H new ATOM 0 HD12 ILE A 164 -12.287 8.748 -14.861 1.00 0.00 H new ATOM 0 HD13 ILE A 164 -10.582 8.787 -14.353 1.00 0.00 H new ATOM 947 N ALA A 165 -10.315 2.932 -15.307 1.00 0.00 N ATOM 948 CA ALA A 165 -10.530 1.663 -14.621 1.00 0.00 C ATOM 949 C ALA A 165 -9.541 1.484 -13.475 1.00 0.00 C ATOM 950 O ALA A 165 -8.349 1.267 -13.698 1.00 0.00 O ATOM 951 CB ALA A 165 -10.419 0.507 -15.604 1.00 0.00 C ATOM 0 H ALA A 165 -9.344 3.115 -15.560 1.00 0.00 H new ATOM 0 HA ALA A 165 -11.535 1.671 -14.199 1.00 0.00 H new ATOM 0 HB1 ALA A 165 -10.582 -0.434 -15.079 1.00 0.00 H new ATOM 0 HB2 ALA A 165 -11.170 0.621 -16.386 1.00 0.00 H new ATOM 0 HB3 ALA A 165 -9.426 0.505 -16.053 1.00 0.00 H new ATOM 957 N CYS A 166 -10.041 1.575 -12.248 1.00 0.00 N ATOM 958 CA CYS A 166 -9.201 1.424 -11.066 1.00 0.00 C ATOM 959 C CYS A 166 -9.641 0.221 -10.237 1.00 0.00 C ATOM 960 O CYS A 166 -10.809 -0.169 -10.259 1.00 0.00 O ATOM 961 CB CYS A 166 -9.253 2.692 -10.212 1.00 0.00 C ATOM 962 SG CYS A 166 -9.113 4.238 -11.166 1.00 0.00 S ATOM 0 H CYS A 166 -11.025 1.753 -12.046 1.00 0.00 H new ATOM 0 HA CYS A 166 -8.176 1.260 -11.398 1.00 0.00 H new ATOM 0 HB2 CYS A 166 -10.190 2.704 -9.656 1.00 0.00 H new ATOM 0 HB3 CYS A 166 -8.448 2.656 -9.478 1.00 0.00 H new ATOM 967 N CYS A 167 -8.697 -0.363 -9.506 1.00 0.00 N ATOM 968 CA CYS A 167 -8.985 -1.522 -8.669 1.00 0.00 C ATOM 969 C CYS A 167 -7.973 -1.638 -7.533 1.00 0.00 C ATOM 970 O CYS A 167 -6.839 -1.176 -7.650 1.00 0.00 O ATOM 971 CB CYS A 167 -8.972 -2.800 -9.510 1.00 0.00 C ATOM 972 SG CYS A 167 -7.871 -2.725 -10.960 1.00 0.00 S ATOM 0 H CYS A 167 -7.726 -0.053 -9.476 1.00 0.00 H new ATOM 0 HA CYS A 167 -9.977 -1.389 -8.237 1.00 0.00 H new ATOM 0 HB2 CYS A 167 -8.667 -3.635 -8.879 1.00 0.00 H new ATOM 0 HB3 CYS A 167 -9.987 -3.010 -9.848 1.00 0.00 H new ATOM 977 N GLN A 168 -8.394 -2.257 -6.434 1.00 0.00 N ATOM 978 CA GLN A 168 -7.524 -2.432 -5.277 1.00 0.00 C ATOM 979 C GLN A 168 -6.786 -3.764 -5.348 1.00 0.00 C ATOM 980 O GLN A 168 -6.758 -4.525 -4.379 1.00 0.00 O ATOM 981 CB GLN A 168 -8.339 -2.356 -3.984 1.00 0.00 C ATOM 982 CG GLN A 168 -9.397 -3.440 -3.867 1.00 0.00 C ATOM 983 CD GLN A 168 -10.605 -2.993 -3.067 1.00 0.00 C ATOM 984 OE1 GLN A 168 -10.872 -3.512 -1.982 1.00 0.00 O ATOM 985 NE2 GLN A 168 -11.343 -2.026 -3.599 1.00 0.00 N ATOM 0 H GLN A 168 -9.331 -2.645 -6.321 1.00 0.00 H new ATOM 0 HA GLN A 168 -6.788 -1.628 -5.283 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -7.662 -2.428 -3.133 1.00 0.00 H new ATOM 0 HB3 GLN A 168 -8.822 -1.381 -3.926 1.00 0.00 H new ATOM 0 HG2 GLN A 168 -9.717 -3.739 -4.865 1.00 0.00 H new ATOM 0 HG3 GLN A 168 -8.959 -4.320 -3.396 1.00 0.00 H new ATOM 0 HE21 GLN A 168 -11.085 -1.625 -4.500 1.00 0.00 H new ATOM 0 HE22 GLN A 168 -12.168 -1.684 -3.106 1.00 0.00 H new ATOM 994 N THR A 169 -6.187 -4.043 -6.502 1.00 0.00 N ATOM 995 CA THR A 169 -5.449 -5.284 -6.700 1.00 0.00 C ATOM 996 C THR A 169 -4.144 -5.034 -7.449 1.00 0.00 C ATOM 997 O THR A 169 -4.111 -4.284 -8.423 1.00 0.00 O ATOM 998 CB THR A 169 -6.285 -6.317 -7.479 1.00 0.00 C ATOM 999 OG1 THR A 169 -7.261 -5.648 -8.285 1.00 0.00 O ATOM 1000 CG2 THR A 169 -6.979 -7.279 -6.527 1.00 0.00 C ATOM 0 H THR A 169 -6.199 -3.426 -7.314 1.00 0.00 H new ATOM 0 HA THR A 169 -5.226 -5.681 -5.709 1.00 0.00 H new ATOM 0 HB THR A 169 -5.613 -6.887 -8.121 1.00 0.00 H new ATOM 0 HG1 THR A 169 -7.788 -6.311 -8.779 1.00 0.00 H new ATOM 0 HG21 THR A 169 -7.563 -7.999 -7.100 1.00 0.00 H new ATOM 0 HG22 THR A 169 -6.232 -7.807 -5.935 1.00 0.00 H new ATOM 0 HG23 THR A 169 -7.640 -6.721 -5.864 1.00 0.00 H new ATOM 1008 N SER A 170 -3.072 -5.669 -6.987 1.00 0.00 N ATOM 1009 CA SER A 170 -1.763 -5.513 -7.612 1.00 0.00 C ATOM 1010 C SER A 170 -1.803 -5.955 -9.072 1.00 0.00 C ATOM 1011 O SER A 170 -2.362 -7.001 -9.401 1.00 0.00 O ATOM 1012 CB SER A 170 -0.712 -6.322 -6.851 1.00 0.00 C ATOM 1013 OG SER A 170 0.319 -6.763 -7.718 1.00 0.00 O ATOM 0 H SER A 170 -3.083 -6.296 -6.183 1.00 0.00 H new ATOM 0 HA SER A 170 -1.494 -4.457 -7.577 1.00 0.00 H new ATOM 0 HB2 SER A 170 -0.286 -5.712 -6.055 1.00 0.00 H new ATOM 0 HB3 SER A 170 -1.184 -7.182 -6.376 1.00 0.00 H new ATOM 0 HG SER A 170 0.883 -6.002 -7.970 1.00 0.00 H new ATOM 1019 N LEU A 171 -1.204 -5.150 -9.943 1.00 0.00 N ATOM 1020 CA LEU A 171 -1.169 -5.456 -11.369 1.00 0.00 C ATOM 1021 C LEU A 171 -2.558 -5.823 -11.881 1.00 0.00 C ATOM 1022 O LEU A 171 -2.706 -6.704 -12.728 1.00 0.00 O ATOM 1023 CB LEU A 171 -0.193 -6.602 -11.641 1.00 0.00 C ATOM 1024 CG LEU A 171 1.249 -6.377 -11.187 1.00 0.00 C ATOM 1025 CD1 LEU A 171 2.018 -7.689 -11.182 1.00 0.00 C ATOM 1026 CD2 LEU A 171 1.937 -5.357 -12.083 1.00 0.00 C ATOM 0 H LEU A 171 -0.736 -4.281 -9.687 1.00 0.00 H new ATOM 0 HA LEU A 171 -0.830 -4.566 -11.899 1.00 0.00 H new ATOM 0 HB2 LEU A 171 -0.571 -7.499 -11.151 1.00 0.00 H new ATOM 0 HB3 LEU A 171 -0.188 -6.802 -12.712 1.00 0.00 H new ATOM 0 HG LEU A 171 1.233 -5.985 -10.170 1.00 0.00 H new ATOM 0 HD11 LEU A 171 3.042 -7.509 -10.856 1.00 0.00 H new ATOM 0 HD12 LEU A 171 1.538 -8.390 -10.499 1.00 0.00 H new ATOM 0 HD13 LEU A 171 2.026 -8.110 -12.187 1.00 0.00 H new ATOM 0 HD21 LEU A 171 2.963 -5.209 -11.745 1.00 0.00 H new ATOM 0 HD22 LEU A 171 1.942 -5.720 -13.111 1.00 0.00 H new ATOM 0 HD23 LEU A 171 1.399 -4.410 -12.036 1.00 0.00 H new ATOM 1038 N CYS A 172 -3.574 -5.141 -11.363 1.00 0.00 N ATOM 1039 CA CYS A 172 -4.952 -5.393 -11.768 1.00 0.00 C ATOM 1040 C CYS A 172 -5.272 -4.680 -13.078 1.00 0.00 C ATOM 1041 O CYS A 172 -6.434 -4.421 -13.387 1.00 0.00 O ATOM 1042 CB CYS A 172 -5.919 -4.935 -10.675 1.00 0.00 C ATOM 1043 SG CYS A 172 -6.060 -3.125 -10.518 1.00 0.00 S ATOM 0 H CYS A 172 -3.469 -4.409 -10.661 1.00 0.00 H new ATOM 0 HA CYS A 172 -5.070 -6.466 -11.920 1.00 0.00 H new ATOM 0 HB2 CYS A 172 -6.906 -5.349 -10.881 1.00 0.00 H new ATOM 0 HB3 CYS A 172 -5.593 -5.348 -9.720 1.00 0.00 H new ATOM 1048 N ASN A 173 -4.233 -4.366 -13.845 1.00 0.00 N ATOM 1049 CA ASN A 173 -4.403 -3.683 -15.122 1.00 0.00 C ATOM 1050 C ASN A 173 -4.453 -4.684 -16.272 1.00 0.00 C ATOM 1051 O ASN A 173 -4.987 -4.390 -17.342 1.00 0.00 O ATOM 1052 CB ASN A 173 -3.264 -2.687 -15.347 1.00 0.00 C ATOM 1053 CG ASN A 173 -2.763 -2.079 -14.051 1.00 0.00 C ATOM 1054 OD1 ASN A 173 -2.125 -2.753 -13.242 1.00 0.00 O ATOM 1055 ND2 ASN A 173 -3.050 -0.798 -13.848 1.00 0.00 N ATOM 0 H ASN A 173 -3.264 -4.574 -13.604 1.00 0.00 H new ATOM 0 HA ASN A 173 -5.349 -3.142 -15.093 1.00 0.00 H new ATOM 0 HB2 ASN A 173 -2.439 -3.190 -15.852 1.00 0.00 H new ATOM 0 HB3 ASN A 173 -3.606 -1.892 -16.010 1.00 0.00 H new ATOM 0 HD21 ASN A 173 -2.739 -0.335 -12.994 1.00 0.00 H new ATOM 0 HD22 ASN A 173 -3.582 -0.278 -14.546 1.00 0.00 H new ATOM 1062 N HIS A 174 -3.893 -5.868 -16.043 1.00 0.00 N ATOM 1063 CA HIS A 174 -3.875 -6.913 -17.060 1.00 0.00 C ATOM 1064 C HIS A 174 -4.047 -8.291 -16.426 1.00 0.00 C ATOM 1065 O HIS A 174 -3.476 -8.575 -15.373 1.00 0.00 O ATOM 1066 CB HIS A 174 -2.567 -6.862 -17.850 1.00 0.00 C ATOM 1067 CG HIS A 174 -2.501 -5.729 -18.827 1.00 0.00 C ATOM 1068 ND1 HIS A 174 -2.515 -5.911 -20.194 1.00 0.00 N ATOM 1069 CD2 HIS A 174 -2.421 -4.392 -18.628 1.00 0.00 C ATOM 1070 CE1 HIS A 174 -2.446 -4.736 -20.793 1.00 0.00 C ATOM 1071 NE2 HIS A 174 -2.388 -3.798 -19.865 1.00 0.00 N ATOM 0 H HIS A 174 -3.446 -6.127 -15.163 1.00 0.00 H new ATOM 0 HA HIS A 174 -4.709 -6.739 -17.740 1.00 0.00 H new ATOM 0 HB2 HIS A 174 -1.734 -6.778 -17.152 1.00 0.00 H new ATOM 0 HB3 HIS A 174 -2.440 -7.802 -18.387 1.00 0.00 H new ATOM 0 HD1 HIS A 174 -2.570 -6.812 -20.668 1.00 0.00 H new ATOM 0 HD2 HIS A 174 -2.389 -3.887 -17.674 1.00 0.00 H new ATOM 0 HE1 HIS A 174 -2.438 -4.570 -21.860 1.00 0.00 H new ATOM 1079 N ASP A 175 -4.836 -9.140 -17.074 1.00 0.00 N ATOM 1080 CA ASP A 175 -5.083 -10.488 -16.574 1.00 0.00 C ATOM 1081 C ASP A 175 -3.772 -11.239 -16.367 1.00 0.00 C ATOM 1082 O ASP A 175 -3.771 -12.425 -16.033 1.00 0.00 O ATOM 1083 CB ASP A 175 -5.979 -11.258 -17.545 1.00 0.00 C ATOM 1084 CG ASP A 175 -7.339 -10.611 -17.715 1.00 0.00 C ATOM 1085 OD1 ASP A 175 -8.096 -10.551 -16.724 1.00 0.00 O ATOM 1086 OD2 ASP A 175 -7.648 -10.165 -18.841 1.00 0.00 O ATOM 0 H ASP A 175 -5.316 -8.919 -17.947 1.00 0.00 H new ATOM 0 HA ASP A 175 -5.589 -10.406 -15.612 1.00 0.00 H new ATOM 0 HB2 ASP A 175 -5.487 -11.323 -18.515 1.00 0.00 H new ATOM 0 HB3 ASP A 175 -6.108 -12.278 -17.184 1.00 0.00 H new