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 127 THR OG1 : rot 81:sc= 0.891 USER MOD Set 1.2: A 173 ASN : amide:sc= -0.891 K(o=0.00076,f=-4.6!) USER MOD Set 2.1: A 104 HIS : no HD1:sc= -1.75 K(o=-2.3,f=-3.4) USER MOD Set 2.2: A 144 LYS NZ :NH3+ -170:sc= -0.543 (180deg=-0.196) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= -2.82 K(o=-2.8,f=-5.9!) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0.00792 USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 36:sc= -0.771 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 HIS : no HD1:sc= -0.86 K(o=-0.86,f=-1.9) USER MOD Single : A 128 THR OG1 : rot -44:sc= 0.324 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 145 MET CE :methyl 164:sc= -0.35 (180deg=-1.29!) USER MOD Single : A 147 HIS : no HD1:sc= -0.303 X(o=-0.3,f=-0.11) USER MOD Single : A 163 SER OG : rot 180:sc= 0 USER MOD Single : A 168 GLN : amide:sc= -2.2! C(o=-2.2!,f=-4.7!) USER MOD Single : A 169 THR OG1 : rot 180:sc= -1.54 USER MOD Single : A 170 SER OG : rot 180:sc=-0.000422 USER MOD Single : A 174 HIS : no HD1:sc= -0.525 X(o=-0.52,f=-0.033) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 100 1.795 -0.949 0.058 1.00 0.00 N ATOM 2 CA MET A 100 1.859 -0.752 -1.386 1.00 0.00 C ATOM 3 C MET A 100 1.911 -2.091 -2.115 1.00 0.00 C ATOM 4 O MET A 100 2.479 -3.060 -1.612 1.00 0.00 O ATOM 5 CB MET A 100 3.082 0.090 -1.753 1.00 0.00 C ATOM 6 CG MET A 100 4.404 -0.578 -1.413 1.00 0.00 C ATOM 7 SD MET A 100 4.974 -0.184 0.251 1.00 0.00 S ATOM 8 CE MET A 100 5.283 -1.825 0.901 1.00 0.00 C ATOM 0 HA MET A 100 0.957 -0.224 -1.697 1.00 0.00 H new ATOM 0 HB2 MET A 100 3.057 0.305 -2.821 1.00 0.00 H new ATOM 0 HB3 MET A 100 3.023 1.047 -1.234 1.00 0.00 H new ATOM 0 HG2 MET A 100 4.296 -1.658 -1.509 1.00 0.00 H new ATOM 0 HG3 MET A 100 5.160 -0.267 -2.135 1.00 0.00 H new ATOM 0 HE1 MET A 100 5.642 -1.748 1.927 1.00 0.00 H new ATOM 0 HE2 MET A 100 4.359 -2.404 0.882 1.00 0.00 H new ATOM 0 HE3 MET A 100 6.035 -2.323 0.289 1.00 0.00 H new ATOM 18 N ILE A 101 1.315 -2.136 -3.302 1.00 0.00 N ATOM 19 CA ILE A 101 1.295 -3.356 -4.100 1.00 0.00 C ATOM 20 C ILE A 101 2.083 -3.180 -5.393 1.00 0.00 C ATOM 21 O ILE A 101 2.760 -2.171 -5.586 1.00 0.00 O ATOM 22 CB ILE A 101 -0.146 -3.781 -4.443 1.00 0.00 C ATOM 23 CG1 ILE A 101 -0.725 -2.869 -5.526 1.00 0.00 C ATOM 24 CG2 ILE A 101 -1.018 -3.751 -3.196 1.00 0.00 C ATOM 25 CD1 ILE A 101 -2.201 -3.087 -5.773 1.00 0.00 C ATOM 0 H ILE A 101 0.840 -1.342 -3.732 1.00 0.00 H new ATOM 0 HA ILE A 101 1.761 -4.135 -3.497 1.00 0.00 H new ATOM 0 HB ILE A 101 -0.127 -4.802 -4.825 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -0.562 -1.830 -5.240 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -0.181 -3.032 -6.456 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -2.033 -4.054 -3.454 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -0.613 -4.437 -2.452 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -1.034 -2.741 -2.787 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -2.544 -2.407 -6.553 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -2.369 -4.116 -6.090 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -2.756 -2.895 -4.855 1.00 0.00 H new ATOM 37 N TRP A 102 1.987 -4.167 -6.276 1.00 0.00 N ATOM 38 CA TRP A 102 2.690 -4.120 -7.554 1.00 0.00 C ATOM 39 C TRP A 102 1.710 -3.940 -8.708 1.00 0.00 C ATOM 40 O TRP A 102 0.698 -4.637 -8.790 1.00 0.00 O ATOM 41 CB TRP A 102 3.507 -5.397 -7.757 1.00 0.00 C ATOM 42 CG TRP A 102 4.507 -5.641 -6.668 1.00 0.00 C ATOM 43 CD1 TRP A 102 4.245 -6.041 -5.389 1.00 0.00 C ATOM 44 CD2 TRP A 102 5.929 -5.500 -6.762 1.00 0.00 C ATOM 45 NE1 TRP A 102 5.418 -6.157 -4.682 1.00 0.00 N ATOM 46 CE2 TRP A 102 6.465 -5.831 -5.503 1.00 0.00 C ATOM 47 CE3 TRP A 102 6.801 -5.128 -7.789 1.00 0.00 C ATOM 48 CZ2 TRP A 102 7.833 -5.799 -5.245 1.00 0.00 C ATOM 49 CZ3 TRP A 102 8.158 -5.096 -7.531 1.00 0.00 C ATOM 50 CH2 TRP A 102 8.664 -5.431 -6.268 1.00 0.00 C ATOM 0 H TRP A 102 1.430 -5.009 -6.131 1.00 0.00 H new ATOM 0 HA TRP A 102 3.365 -3.264 -7.538 1.00 0.00 H new ATOM 0 HB2 TRP A 102 2.829 -6.248 -7.815 1.00 0.00 H new ATOM 0 HB3 TRP A 102 4.028 -5.339 -8.713 1.00 0.00 H new ATOM 0 HD1 TRP A 102 3.260 -6.237 -4.991 1.00 0.00 H new ATOM 0 HE1 TRP A 102 5.496 -6.440 -3.705 1.00 0.00 H new ATOM 0 HE3 TRP A 102 6.421 -4.870 -8.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 8.224 -6.056 -4.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 8.841 -4.808 -8.317 1.00 0.00 H new ATOM 0 HH2 TRP A 102 9.730 -5.398 -6.099 1.00 0.00 H new ATOM 61 N CYS A 103 2.016 -3.002 -9.597 1.00 0.00 N ATOM 62 CA CYS A 103 1.162 -2.730 -10.747 1.00 0.00 C ATOM 63 C CYS A 103 1.998 -2.383 -11.976 1.00 0.00 C ATOM 64 O CYS A 103 3.226 -2.460 -11.946 1.00 0.00 O ATOM 65 CB CYS A 103 0.197 -1.585 -10.433 1.00 0.00 C ATOM 66 SG CYS A 103 -0.762 -1.819 -8.902 1.00 0.00 S ATOM 0 H CYS A 103 2.850 -2.417 -9.543 1.00 0.00 H new ATOM 0 HA CYS A 103 0.588 -3.631 -10.963 1.00 0.00 H new ATOM 0 HB2 CYS A 103 0.764 -0.657 -10.356 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -0.494 -1.468 -11.268 1.00 0.00 H new ATOM 71 N HIS A 104 1.323 -2.000 -13.055 1.00 0.00 N ATOM 72 CA HIS A 104 2.003 -1.640 -14.294 1.00 0.00 C ATOM 73 C HIS A 104 2.414 -0.170 -14.281 1.00 0.00 C ATOM 74 O HIS A 104 1.615 0.704 -13.946 1.00 0.00 O ATOM 75 CB HIS A 104 1.100 -1.918 -15.496 1.00 0.00 C ATOM 76 CG HIS A 104 0.953 -3.375 -15.810 1.00 0.00 C ATOM 77 ND1 HIS A 104 1.953 -4.297 -15.587 1.00 0.00 N ATOM 78 CD2 HIS A 104 -0.086 -4.067 -16.333 1.00 0.00 C ATOM 79 CE1 HIS A 104 1.536 -5.494 -15.960 1.00 0.00 C ATOM 80 NE2 HIS A 104 0.301 -5.382 -16.416 1.00 0.00 N ATOM 0 H HIS A 104 0.306 -1.931 -13.096 1.00 0.00 H new ATOM 0 HA HIS A 104 2.902 -2.250 -14.376 1.00 0.00 H new ATOM 0 HB2 HIS A 104 0.114 -1.495 -15.305 1.00 0.00 H new ATOM 0 HB3 HIS A 104 1.503 -1.405 -16.369 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -1.042 -3.661 -16.630 1.00 0.00 H new ATOM 0 HE1 HIS A 104 2.108 -6.409 -15.902 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -0.272 -6.147 -16.772 1.00 0.00 H new ATOM 88 N GLN A 105 3.665 0.093 -14.646 1.00 0.00 N ATOM 89 CA GLN A 105 4.181 1.456 -14.674 1.00 0.00 C ATOM 90 C GLN A 105 4.650 1.832 -16.076 1.00 0.00 C ATOM 91 O GLN A 105 5.508 2.699 -16.243 1.00 0.00 O ATOM 92 CB GLN A 105 5.335 1.607 -13.680 1.00 0.00 C ATOM 93 CG GLN A 105 4.891 2.054 -12.297 1.00 0.00 C ATOM 94 CD GLN A 105 4.671 0.890 -11.350 1.00 0.00 C ATOM 95 OE1 GLN A 105 5.555 0.534 -10.570 1.00 0.00 O ATOM 96 NE2 GLN A 105 3.489 0.290 -11.414 1.00 0.00 N ATOM 0 H GLN A 105 4.339 -0.619 -14.926 1.00 0.00 H new ATOM 0 HA GLN A 105 3.373 2.130 -14.388 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.857 0.654 -13.595 1.00 0.00 H new ATOM 0 HB3 GLN A 105 6.051 2.329 -14.074 1.00 0.00 H new ATOM 0 HG2 GLN A 105 5.642 2.722 -11.877 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.968 2.627 -12.383 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.786 0.618 -12.076 1.00 0.00 H new ATOM 0 HE22 GLN A 105 3.284 -0.499 -10.802 1.00 0.00 H new ATOM 105 N CYS A 106 4.081 1.174 -17.080 1.00 0.00 N ATOM 106 CA CYS A 106 4.440 1.438 -18.469 1.00 0.00 C ATOM 107 C CYS A 106 3.640 2.613 -19.023 1.00 0.00 C ATOM 108 O CYS A 106 2.677 3.070 -18.406 1.00 0.00 O ATOM 109 CB CYS A 106 4.199 0.193 -19.325 1.00 0.00 C ATOM 110 SG CYS A 106 5.347 0.024 -20.729 1.00 0.00 S ATOM 0 H CYS A 106 3.369 0.454 -16.958 1.00 0.00 H new ATOM 0 HA CYS A 106 5.499 1.694 -18.503 1.00 0.00 H new ATOM 0 HB2 CYS A 106 4.282 -0.691 -18.693 1.00 0.00 H new ATOM 0 HB3 CYS A 106 3.178 0.218 -19.705 1.00 0.00 H new ATOM 115 N THR A 107 4.045 3.098 -20.193 1.00 0.00 N ATOM 116 CA THR A 107 3.368 4.220 -20.831 1.00 0.00 C ATOM 117 C THR A 107 2.362 3.736 -21.870 1.00 0.00 C ATOM 118 O THR A 107 2.026 4.460 -22.807 1.00 0.00 O ATOM 119 CB THR A 107 4.372 5.171 -21.509 1.00 0.00 C ATOM 120 OG1 THR A 107 5.546 5.301 -20.700 1.00 0.00 O ATOM 121 CG2 THR A 107 3.752 6.541 -21.736 1.00 0.00 C ATOM 0 H THR A 107 4.839 2.731 -20.718 1.00 0.00 H new ATOM 0 HA THR A 107 2.842 4.761 -20.044 1.00 0.00 H new ATOM 0 HB THR A 107 4.643 4.748 -22.476 1.00 0.00 H new ATOM 0 HG1 THR A 107 6.180 5.906 -21.139 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.480 7.195 -22.216 1.00 0.00 H new ATOM 0 HG22 THR A 107 2.876 6.442 -22.376 1.00 0.00 H new ATOM 0 HG23 THR A 107 3.455 6.969 -20.779 1.00 0.00 H new ATOM 129 N GLY A 108 1.885 2.507 -21.698 1.00 0.00 N ATOM 130 CA GLY A 108 0.921 1.949 -22.628 1.00 0.00 C ATOM 131 C GLY A 108 1.512 1.717 -24.005 1.00 0.00 C ATOM 132 O GLY A 108 2.172 0.705 -24.243 1.00 0.00 O ATOM 0 H GLY A 108 2.149 1.888 -20.931 1.00 0.00 H new ATOM 0 HA2 GLY A 108 0.544 1.005 -22.234 1.00 0.00 H new ATOM 0 HA3 GLY A 108 0.068 2.623 -22.711 1.00 0.00 H new ATOM 136 N PHE A 109 1.275 2.655 -24.915 1.00 0.00 N ATOM 137 CA PHE A 109 1.786 2.547 -26.276 1.00 0.00 C ATOM 138 C PHE A 109 1.268 1.282 -26.953 1.00 0.00 C ATOM 139 O PHE A 109 1.852 0.799 -27.922 1.00 0.00 O ATOM 140 CB PHE A 109 3.316 2.547 -26.270 1.00 0.00 C ATOM 141 CG PHE A 109 3.915 3.905 -26.038 1.00 0.00 C ATOM 142 CD1 PHE A 109 3.485 5.000 -26.769 1.00 0.00 C ATOM 143 CD2 PHE A 109 4.909 4.085 -25.090 1.00 0.00 C ATOM 144 CE1 PHE A 109 4.033 6.251 -26.557 1.00 0.00 C ATOM 145 CE2 PHE A 109 5.461 5.333 -24.874 1.00 0.00 C ATOM 146 CZ PHE A 109 5.024 6.417 -25.609 1.00 0.00 C ATOM 0 H PHE A 109 0.732 3.499 -24.735 1.00 0.00 H new ATOM 0 HA PHE A 109 1.432 3.410 -26.840 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.668 1.866 -25.495 1.00 0.00 H new ATOM 0 HB3 PHE A 109 3.675 2.158 -27.223 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.713 4.875 -27.513 1.00 0.00 H new ATOM 0 HD2 PHE A 109 5.256 3.240 -24.513 1.00 0.00 H new ATOM 0 HE1 PHE A 109 3.687 7.097 -27.132 1.00 0.00 H new ATOM 0 HE2 PHE A 109 6.234 5.461 -24.131 1.00 0.00 H new ATOM 0 HZ PHE A 109 5.456 7.393 -25.443 1.00 0.00 H new ATOM 156 N GLY A 110 0.167 0.748 -26.433 1.00 0.00 N ATOM 157 CA GLY A 110 -0.411 -0.458 -26.998 1.00 0.00 C ATOM 158 C GLY A 110 -0.616 -1.544 -25.960 1.00 0.00 C ATOM 159 O GLY A 110 -0.525 -2.731 -26.268 1.00 0.00 O ATOM 0 H GLY A 110 -0.335 1.129 -25.631 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -1.368 -0.216 -27.460 1.00 0.00 H new ATOM 0 HA3 GLY A 110 0.239 -0.833 -27.788 1.00 0.00 H new ATOM 163 N GLY A 111 -0.893 -1.136 -24.725 1.00 0.00 N ATOM 164 CA GLY A 111 -1.106 -2.095 -23.658 1.00 0.00 C ATOM 165 C GLY A 111 0.188 -2.720 -23.174 1.00 0.00 C ATOM 166 O GLY A 111 0.221 -3.897 -22.813 1.00 0.00 O ATOM 0 H GLY A 111 -0.974 -0.158 -24.445 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -1.602 -1.601 -22.823 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -1.777 -2.880 -24.007 1.00 0.00 H new ATOM 170 N CYS A 112 1.258 -1.932 -23.167 1.00 0.00 N ATOM 171 CA CYS A 112 2.561 -2.415 -22.727 1.00 0.00 C ATOM 172 C CYS A 112 2.474 -3.016 -21.327 1.00 0.00 C ATOM 173 O CYS A 112 1.796 -2.479 -20.451 1.00 0.00 O ATOM 174 CB CYS A 112 3.582 -1.275 -22.742 1.00 0.00 C ATOM 175 SG CYS A 112 5.087 -1.613 -21.773 1.00 0.00 S ATOM 0 H CYS A 112 1.248 -0.955 -23.461 1.00 0.00 H new ATOM 0 HA CYS A 112 2.885 -3.193 -23.418 1.00 0.00 H new ATOM 0 HB2 CYS A 112 3.866 -1.069 -23.774 1.00 0.00 H new ATOM 0 HB3 CYS A 112 3.109 -0.372 -22.355 1.00 0.00 H new ATOM 180 N SER A 113 3.165 -4.133 -21.124 1.00 0.00 N ATOM 181 CA SER A 113 3.163 -4.809 -19.832 1.00 0.00 C ATOM 182 C SER A 113 4.492 -4.605 -19.110 1.00 0.00 C ATOM 183 O SER A 113 5.560 -4.687 -19.717 1.00 0.00 O ATOM 184 CB SER A 113 2.895 -6.304 -20.016 1.00 0.00 C ATOM 185 OG SER A 113 3.491 -6.787 -21.207 1.00 0.00 O ATOM 0 H SER A 113 3.733 -4.589 -21.838 1.00 0.00 H new ATOM 0 HA SER A 113 2.369 -4.376 -19.224 1.00 0.00 H new ATOM 0 HB2 SER A 113 3.287 -6.855 -19.161 1.00 0.00 H new ATOM 0 HB3 SER A 113 1.820 -6.483 -20.045 1.00 0.00 H new ATOM 0 HG SER A 113 3.306 -7.745 -21.300 1.00 0.00 H new ATOM 191 N HIS A 114 4.417 -4.337 -17.811 1.00 0.00 N ATOM 192 CA HIS A 114 5.613 -4.121 -17.004 1.00 0.00 C ATOM 193 C HIS A 114 5.252 -3.962 -15.530 1.00 0.00 C ATOM 194 O HIS A 114 4.976 -2.858 -15.063 1.00 0.00 O ATOM 195 CB HIS A 114 6.366 -2.884 -17.493 1.00 0.00 C ATOM 196 CG HIS A 114 7.846 -2.960 -17.277 1.00 0.00 C ATOM 197 ND1 HIS A 114 8.765 -2.779 -18.290 1.00 0.00 N ATOM 198 CD2 HIS A 114 8.567 -3.198 -16.156 1.00 0.00 C ATOM 199 CE1 HIS A 114 9.986 -2.904 -17.801 1.00 0.00 C ATOM 200 NE2 HIS A 114 9.893 -3.158 -16.508 1.00 0.00 N ATOM 0 H HIS A 114 3.541 -4.264 -17.294 1.00 0.00 H new ATOM 0 HA HIS A 114 6.256 -4.994 -17.110 1.00 0.00 H new ATOM 0 HB2 HIS A 114 6.169 -2.745 -18.556 1.00 0.00 H new ATOM 0 HB3 HIS A 114 5.977 -2.005 -16.979 1.00 0.00 H new ATOM 0 HD2 HIS A 114 8.172 -3.385 -15.168 1.00 0.00 H new ATOM 0 HE1 HIS A 114 10.904 -2.814 -18.363 1.00 0.00 H new ATOM 0 HE2 HIS A 114 10.679 -3.301 -15.874 1.00 0.00 H new ATOM 208 N GLY A 115 5.257 -5.075 -14.801 1.00 0.00 N ATOM 209 CA GLY A 115 4.928 -5.037 -13.388 1.00 0.00 C ATOM 210 C GLY A 115 6.048 -4.457 -12.548 1.00 0.00 C ATOM 211 O GLY A 115 7.094 -5.083 -12.378 1.00 0.00 O ATOM 0 H GLY A 115 5.483 -6.001 -15.164 1.00 0.00 H new ATOM 0 HA2 GLY A 115 4.025 -4.443 -13.244 1.00 0.00 H new ATOM 0 HA3 GLY A 115 4.704 -6.046 -13.043 1.00 0.00 H new ATOM 215 N SER A 116 5.830 -3.256 -12.022 1.00 0.00 N ATOM 216 CA SER A 116 6.832 -2.588 -11.199 1.00 0.00 C ATOM 217 C SER A 116 6.273 -2.268 -9.816 1.00 0.00 C ATOM 218 O SER A 116 5.074 -2.402 -9.573 1.00 0.00 O ATOM 219 CB SER A 116 7.308 -1.304 -11.880 1.00 0.00 C ATOM 220 OG SER A 116 8.434 -1.550 -12.704 1.00 0.00 O ATOM 0 H SER A 116 4.968 -2.725 -12.151 1.00 0.00 H new ATOM 0 HA SER A 116 7.679 -3.263 -11.081 1.00 0.00 H new ATOM 0 HB2 SER A 116 6.499 -0.886 -12.479 1.00 0.00 H new ATOM 0 HB3 SER A 116 7.562 -0.561 -11.124 1.00 0.00 H new ATOM 0 HG SER A 116 8.717 -0.714 -13.129 1.00 0.00 H new ATOM 226 N ARG A 117 7.151 -1.843 -8.914 1.00 0.00 N ATOM 227 CA ARG A 117 6.747 -1.504 -7.555 1.00 0.00 C ATOM 228 C ARG A 117 6.032 -0.157 -7.520 1.00 0.00 C ATOM 229 O ARG A 117 6.509 0.826 -8.089 1.00 0.00 O ATOM 230 CB ARG A 117 7.966 -1.471 -6.631 1.00 0.00 C ATOM 231 CG ARG A 117 8.960 -0.373 -6.973 1.00 0.00 C ATOM 232 CD ARG A 117 10.215 -0.472 -6.121 1.00 0.00 C ATOM 233 NE ARG A 117 9.980 -0.039 -4.746 1.00 0.00 N ATOM 234 CZ ARG A 117 9.864 1.234 -4.387 1.00 0.00 C ATOM 235 NH1 ARG A 117 9.960 2.195 -5.296 1.00 0.00 N ATOM 236 NH2 ARG A 117 9.651 1.549 -3.115 1.00 0.00 N ATOM 0 H ARG A 117 8.147 -1.725 -9.100 1.00 0.00 H new ATOM 0 HA ARG A 117 6.056 -2.271 -7.206 1.00 0.00 H new ATOM 0 HB2 ARG A 117 7.629 -1.337 -5.603 1.00 0.00 H new ATOM 0 HB3 ARG A 117 8.472 -2.435 -6.677 1.00 0.00 H new ATOM 0 HG2 ARG A 117 9.229 -0.440 -8.027 1.00 0.00 H new ATOM 0 HG3 ARG A 117 8.494 0.601 -6.824 1.00 0.00 H new ATOM 0 HD2 ARG A 117 10.572 -1.502 -6.120 1.00 0.00 H new ATOM 0 HD3 ARG A 117 11.002 0.138 -6.563 1.00 0.00 H new ATOM 0 HE ARG A 117 9.901 -0.753 -4.022 1.00 0.00 H new ATOM 0 HH11 ARG A 117 10.123 1.957 -6.274 1.00 0.00 H new ATOM 0 HH12 ARG A 117 9.870 3.172 -5.017 1.00 0.00 H new ATOM 0 HH21 ARG A 117 9.576 0.813 -2.413 1.00 0.00 H new ATOM 0 HH22 ARG A 117 9.562 2.527 -2.840 1.00 0.00 H new ATOM 250 N CYS A 118 4.886 -0.118 -6.849 1.00 0.00 N ATOM 251 CA CYS A 118 4.104 1.108 -6.741 1.00 0.00 C ATOM 252 C CYS A 118 4.674 2.022 -5.660 1.00 0.00 C ATOM 253 O CYS A 118 5.713 1.729 -5.067 1.00 0.00 O ATOM 254 CB CYS A 118 2.643 0.779 -6.427 1.00 0.00 C ATOM 255 SG CYS A 118 1.751 -0.023 -7.798 1.00 0.00 S ATOM 0 H CYS A 118 4.478 -0.922 -6.372 1.00 0.00 H new ATOM 0 HA CYS A 118 4.155 1.628 -7.697 1.00 0.00 H new ATOM 0 HB2 CYS A 118 2.608 0.127 -5.554 1.00 0.00 H new ATOM 0 HB3 CYS A 118 2.124 1.699 -6.159 1.00 0.00 H new ATOM 260 N LEU A 119 3.987 3.132 -5.410 1.00 0.00 N ATOM 261 CA LEU A 119 4.424 4.090 -4.401 1.00 0.00 C ATOM 262 C LEU A 119 4.070 3.604 -2.999 1.00 0.00 C ATOM 263 O LEU A 119 3.056 2.934 -2.801 1.00 0.00 O ATOM 264 CB LEU A 119 3.784 5.456 -4.656 1.00 0.00 C ATOM 265 CG LEU A 119 4.589 6.423 -5.525 1.00 0.00 C ATOM 266 CD1 LEU A 119 5.403 5.659 -6.558 1.00 0.00 C ATOM 267 CD2 LEU A 119 3.666 7.423 -6.205 1.00 0.00 C ATOM 0 H LEU A 119 3.126 3.390 -5.892 1.00 0.00 H new ATOM 0 HA LEU A 119 5.508 4.184 -4.470 1.00 0.00 H new ATOM 0 HB2 LEU A 119 2.814 5.298 -5.127 1.00 0.00 H new ATOM 0 HB3 LEU A 119 3.598 5.933 -3.694 1.00 0.00 H new ATOM 0 HG LEU A 119 5.277 6.972 -4.883 1.00 0.00 H new ATOM 0 HD11 LEU A 119 5.970 6.363 -7.168 1.00 0.00 H new ATOM 0 HD12 LEU A 119 6.091 4.982 -6.051 1.00 0.00 H new ATOM 0 HD13 LEU A 119 4.733 5.084 -7.197 1.00 0.00 H new ATOM 0 HD21 LEU A 119 4.256 8.103 -6.819 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.954 6.890 -6.835 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.126 7.993 -5.449 1.00 0.00 H new ATOM 279 N ARG A 120 4.912 3.948 -2.029 1.00 0.00 N ATOM 280 CA ARG A 120 4.687 3.547 -0.645 1.00 0.00 C ATOM 281 C ARG A 120 3.264 3.880 -0.207 1.00 0.00 C ATOM 282 O ARG A 120 2.641 3.125 0.539 1.00 0.00 O ATOM 283 CB ARG A 120 5.692 4.240 0.277 1.00 0.00 C ATOM 284 CG ARG A 120 5.644 5.757 0.200 1.00 0.00 C ATOM 285 CD ARG A 120 6.796 6.390 0.964 1.00 0.00 C ATOM 286 NE ARG A 120 6.920 5.850 2.315 1.00 0.00 N ATOM 287 CZ ARG A 120 6.151 6.226 3.331 1.00 0.00 C ATOM 288 NH1 ARG A 120 5.207 7.139 3.149 1.00 0.00 N ATOM 289 NH2 ARG A 120 6.324 5.687 4.531 1.00 0.00 N ATOM 0 H ARG A 120 5.755 4.503 -2.176 1.00 0.00 H new ATOM 0 HA ARG A 120 4.826 2.468 -0.577 1.00 0.00 H new ATOM 0 HB2 ARG A 120 5.502 3.931 1.305 1.00 0.00 H new ATOM 0 HB3 ARG A 120 6.697 3.903 0.023 1.00 0.00 H new ATOM 0 HG2 ARG A 120 5.682 6.071 -0.843 1.00 0.00 H new ATOM 0 HG3 ARG A 120 4.697 6.113 0.606 1.00 0.00 H new ATOM 0 HD2 ARG A 120 7.726 6.224 0.421 1.00 0.00 H new ATOM 0 HD3 ARG A 120 6.646 7.468 1.017 1.00 0.00 H new ATOM 0 HE ARG A 120 7.637 5.145 2.488 1.00 0.00 H new ATOM 0 HH11 ARG A 120 5.070 7.554 2.227 1.00 0.00 H new ATOM 0 HH12 ARG A 120 4.618 7.426 3.931 1.00 0.00 H new ATOM 0 HH21 ARG A 120 7.048 4.983 4.674 1.00 0.00 H new ATOM 0 HH22 ARG A 120 5.733 5.977 5.310 1.00 0.00 H new ATOM 303 N ASP A 121 2.757 5.015 -0.675 1.00 0.00 N ATOM 304 CA ASP A 121 1.407 5.448 -0.332 1.00 0.00 C ATOM 305 C ASP A 121 0.380 4.818 -1.267 1.00 0.00 C ATOM 306 O ASP A 121 -0.754 4.550 -0.870 1.00 0.00 O ATOM 307 CB ASP A 121 1.306 6.973 -0.396 1.00 0.00 C ATOM 308 CG ASP A 121 1.825 7.533 -1.706 1.00 0.00 C ATOM 309 OD1 ASP A 121 1.161 7.327 -2.743 1.00 0.00 O ATOM 310 OD2 ASP A 121 2.896 8.176 -1.694 1.00 0.00 O ATOM 0 H ASP A 121 3.260 5.652 -1.293 1.00 0.00 H new ATOM 0 HA ASP A 121 1.194 5.120 0.685 1.00 0.00 H new ATOM 0 HB2 ASP A 121 0.266 7.271 -0.263 1.00 0.00 H new ATOM 0 HB3 ASP A 121 1.870 7.407 0.430 1.00 0.00 H new ATOM 315 N SER A 122 0.785 4.584 -2.511 1.00 0.00 N ATOM 316 CA SER A 122 -0.102 3.989 -3.505 1.00 0.00 C ATOM 317 C SER A 122 -0.335 2.511 -3.209 1.00 0.00 C ATOM 318 O SER A 122 0.605 1.716 -3.176 1.00 0.00 O ATOM 319 CB SER A 122 0.486 4.154 -4.907 1.00 0.00 C ATOM 320 OG SER A 122 0.536 5.520 -5.283 1.00 0.00 O ATOM 0 H SER A 122 1.721 4.797 -2.855 1.00 0.00 H new ATOM 0 HA SER A 122 -1.060 4.506 -3.458 1.00 0.00 H new ATOM 0 HB2 SER A 122 1.489 3.729 -4.936 1.00 0.00 H new ATOM 0 HB3 SER A 122 -0.117 3.598 -5.625 1.00 0.00 H new ATOM 0 HG SER A 122 0.743 6.068 -4.498 1.00 0.00 H new ATOM 326 N THR A 123 -1.596 2.149 -2.994 1.00 0.00 N ATOM 327 CA THR A 123 -1.955 0.767 -2.700 1.00 0.00 C ATOM 328 C THR A 123 -2.963 0.233 -3.711 1.00 0.00 C ATOM 329 O THR A 123 -3.605 -0.791 -3.481 1.00 0.00 O ATOM 330 CB THR A 123 -2.544 0.629 -1.283 1.00 0.00 C ATOM 331 OG1 THR A 123 -2.379 1.855 -0.563 1.00 0.00 O ATOM 332 CG2 THR A 123 -1.870 -0.505 -0.525 1.00 0.00 C ATOM 0 H THR A 123 -2.386 2.794 -3.018 1.00 0.00 H new ATOM 0 HA THR A 123 -1.037 0.182 -2.763 1.00 0.00 H new ATOM 0 HB THR A 123 -3.606 0.402 -1.375 1.00 0.00 H new ATOM 0 HG1 THR A 123 -2.757 1.760 0.336 1.00 0.00 H new ATOM 0 HG21 THR A 123 -2.302 -0.583 0.473 1.00 0.00 H new ATOM 0 HG22 THR A 123 -2.022 -1.442 -1.061 1.00 0.00 H new ATOM 0 HG23 THR A 123 -0.802 -0.303 -0.443 1.00 0.00 H new ATOM 340 N HIS A 124 -3.096 0.934 -4.833 1.00 0.00 N ATOM 341 CA HIS A 124 -4.026 0.529 -5.881 1.00 0.00 C ATOM 342 C HIS A 124 -3.475 0.878 -7.261 1.00 0.00 C ATOM 343 O HIS A 124 -2.544 1.674 -7.386 1.00 0.00 O ATOM 344 CB HIS A 124 -5.383 1.202 -5.676 1.00 0.00 C ATOM 345 CG HIS A 124 -5.833 1.221 -4.248 1.00 0.00 C ATOM 346 ND1 HIS A 124 -6.469 0.156 -3.645 1.00 0.00 N ATOM 347 CD2 HIS A 124 -5.734 2.183 -3.300 1.00 0.00 C ATOM 348 CE1 HIS A 124 -6.743 0.463 -2.390 1.00 0.00 C ATOM 349 NE2 HIS A 124 -6.307 1.687 -2.155 1.00 0.00 N ATOM 0 H HIS A 124 -2.572 1.784 -5.039 1.00 0.00 H new ATOM 0 HA HIS A 124 -4.153 -0.552 -5.822 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.331 2.226 -6.045 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -6.131 0.684 -6.277 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -5.287 3.159 -3.422 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -7.239 -0.178 -1.677 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -6.383 2.183 -1.267 1.00 0.00 H new ATOM 357 N CYS A 125 -4.056 0.277 -8.294 1.00 0.00 N ATOM 358 CA CYS A 125 -3.623 0.523 -9.664 1.00 0.00 C ATOM 359 C CYS A 125 -4.647 1.369 -10.415 1.00 0.00 C ATOM 360 O CYS A 125 -5.854 1.171 -10.276 1.00 0.00 O ATOM 361 CB CYS A 125 -3.404 -0.802 -10.397 1.00 0.00 C ATOM 362 SG CYS A 125 -2.581 -2.080 -9.393 1.00 0.00 S ATOM 0 H CYS A 125 -4.828 -0.384 -8.208 1.00 0.00 H new ATOM 0 HA CYS A 125 -2.682 1.071 -9.628 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -4.369 -1.183 -10.732 1.00 0.00 H new ATOM 0 HB3 CYS A 125 -2.807 -0.617 -11.290 1.00 0.00 H new ATOM 367 N VAL A 126 -4.157 2.313 -11.212 1.00 0.00 N ATOM 368 CA VAL A 126 -5.028 3.189 -11.986 1.00 0.00 C ATOM 369 C VAL A 126 -4.829 2.978 -13.483 1.00 0.00 C ATOM 370 O VAL A 126 -3.789 3.333 -14.039 1.00 0.00 O ATOM 371 CB VAL A 126 -4.777 4.671 -11.649 1.00 0.00 C ATOM 372 CG1 VAL A 126 -5.692 5.567 -12.469 1.00 0.00 C ATOM 373 CG2 VAL A 126 -4.969 4.918 -10.160 1.00 0.00 C ATOM 0 H VAL A 126 -3.161 2.491 -11.339 1.00 0.00 H new ATOM 0 HA VAL A 126 -6.053 2.933 -11.719 1.00 0.00 H new ATOM 0 HB VAL A 126 -3.746 4.915 -11.904 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -5.501 6.610 -12.218 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -5.501 5.409 -13.530 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -6.732 5.325 -12.248 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -4.788 5.970 -9.939 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -5.989 4.658 -9.877 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -4.268 4.303 -9.596 1.00 0.00 H new ATOM 383 N THR A 127 -5.835 2.399 -14.132 1.00 0.00 N ATOM 384 CA THR A 127 -5.771 2.140 -15.565 1.00 0.00 C ATOM 385 C THR A 127 -6.377 3.292 -16.359 1.00 0.00 C ATOM 386 O THR A 127 -7.583 3.324 -16.605 1.00 0.00 O ATOM 387 CB THR A 127 -6.503 0.836 -15.933 1.00 0.00 C ATOM 388 OG1 THR A 127 -6.388 -0.109 -14.864 1.00 0.00 O ATOM 389 CG2 THR A 127 -5.932 0.237 -17.210 1.00 0.00 C ATOM 0 H THR A 127 -6.703 2.101 -13.688 1.00 0.00 H new ATOM 0 HA THR A 127 -4.716 2.040 -15.822 1.00 0.00 H new ATOM 0 HB THR A 127 -7.555 1.070 -16.099 1.00 0.00 H new ATOM 0 HG1 THR A 127 -7.049 0.099 -14.171 1.00 0.00 H new ATOM 0 HG21 THR A 127 -6.465 -0.683 -17.450 1.00 0.00 H new ATOM 0 HG22 THR A 127 -6.048 0.947 -18.029 1.00 0.00 H new ATOM 0 HG23 THR A 127 -4.874 0.017 -17.067 1.00 0.00 H new ATOM 397 N THR A 128 -5.533 4.238 -16.759 1.00 0.00 N ATOM 398 CA THR A 128 -5.986 5.392 -17.526 1.00 0.00 C ATOM 399 C THR A 128 -5.867 5.138 -19.024 1.00 0.00 C ATOM 400 O THR A 128 -4.764 5.057 -19.564 1.00 0.00 O ATOM 401 CB THR A 128 -5.182 6.656 -17.165 1.00 0.00 C ATOM 402 OG1 THR A 128 -3.838 6.534 -17.642 1.00 0.00 O ATOM 403 CG2 THR A 128 -5.174 6.881 -15.661 1.00 0.00 C ATOM 0 H THR A 128 -4.532 4.228 -16.564 1.00 0.00 H new ATOM 0 HA THR A 128 -7.034 5.551 -17.270 1.00 0.00 H new ATOM 0 HB THR A 128 -5.660 7.512 -17.641 1.00 0.00 H new ATOM 0 HG1 THR A 128 -3.502 5.634 -17.447 1.00 0.00 H new ATOM 0 HG21 THR A 128 -4.600 7.779 -15.430 1.00 0.00 H new ATOM 0 HG22 THR A 128 -6.197 7.003 -15.306 1.00 0.00 H new ATOM 0 HG23 THR A 128 -4.718 6.023 -15.167 1.00 0.00 H new ATOM 411 N ALA A 129 -7.009 5.013 -19.691 1.00 0.00 N ATOM 412 CA ALA A 129 -7.033 4.771 -21.128 1.00 0.00 C ATOM 413 C ALA A 129 -7.761 5.892 -21.862 1.00 0.00 C ATOM 414 O ALA A 129 -8.980 6.029 -21.755 1.00 0.00 O ATOM 415 CB ALA A 129 -7.687 3.430 -21.427 1.00 0.00 C ATOM 0 H ALA A 129 -7.931 5.075 -19.259 1.00 0.00 H new ATOM 0 HA ALA A 129 -6.003 4.748 -21.484 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -7.698 3.263 -22.504 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -7.123 2.634 -20.942 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -8.710 3.432 -21.050 1.00 0.00 H new ATOM 421 N THR A 130 -7.006 6.693 -22.607 1.00 0.00 N ATOM 422 CA THR A 130 -7.580 7.803 -23.358 1.00 0.00 C ATOM 423 C THR A 130 -7.372 7.619 -24.857 1.00 0.00 C ATOM 424 O THR A 130 -6.284 7.256 -25.302 1.00 0.00 O ATOM 425 CB THR A 130 -6.965 9.149 -22.928 1.00 0.00 C ATOM 426 OG1 THR A 130 -5.567 9.170 -23.237 1.00 0.00 O ATOM 427 CG2 THR A 130 -7.164 9.382 -21.438 1.00 0.00 C ATOM 0 H THR A 130 -5.996 6.594 -22.707 1.00 0.00 H new ATOM 0 HA THR A 130 -8.648 7.813 -23.141 1.00 0.00 H new ATOM 0 HB THR A 130 -7.469 9.946 -23.475 1.00 0.00 H new ATOM 0 HG1 THR A 130 -5.184 10.029 -22.962 1.00 0.00 H new ATOM 0 HG21 THR A 130 -6.722 10.338 -21.157 1.00 0.00 H new ATOM 0 HG22 THR A 130 -8.230 9.394 -21.211 1.00 0.00 H new ATOM 0 HG23 THR A 130 -6.683 8.581 -20.877 1.00 0.00 H new ATOM 579 N PRO A 140 -4.866 3.451 -29.296 1.00 0.00 N ATOM 580 CA PRO A 140 -4.957 4.639 -28.442 1.00 0.00 C ATOM 581 C PRO A 140 -3.805 4.727 -27.447 1.00 0.00 C ATOM 582 O PRO A 140 -2.903 3.889 -27.450 1.00 0.00 O ATOM 583 CB PRO A 140 -6.286 4.447 -27.707 1.00 0.00 C ATOM 584 CG PRO A 140 -6.507 2.973 -27.703 1.00 0.00 C ATOM 585 CD PRO A 140 -5.914 2.463 -28.987 1.00 0.00 C ATOM 0 HA PRO A 140 -4.904 5.562 -29.020 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -6.238 4.843 -26.693 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -7.098 4.968 -28.215 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -6.029 2.509 -26.841 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -7.570 2.738 -27.643 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -5.500 1.462 -28.868 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -6.660 2.407 -29.780 1.00 0.00 H new ATOM 593 N LEU A 141 -3.841 5.747 -26.596 1.00 0.00 N ATOM 594 CA LEU A 141 -2.800 5.944 -25.594 1.00 0.00 C ATOM 595 C LEU A 141 -3.221 5.361 -24.249 1.00 0.00 C ATOM 596 O LEU A 141 -4.366 5.519 -23.823 1.00 0.00 O ATOM 597 CB LEU A 141 -2.487 7.434 -25.441 1.00 0.00 C ATOM 598 CG LEU A 141 -1.305 7.782 -24.536 1.00 0.00 C ATOM 599 CD1 LEU A 141 -1.711 7.703 -23.073 1.00 0.00 C ATOM 600 CD2 LEU A 141 -0.129 6.858 -24.817 1.00 0.00 C ATOM 0 H LEU A 141 -4.580 6.450 -26.580 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.904 5.423 -25.930 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -2.295 7.848 -26.431 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -3.375 7.933 -25.053 1.00 0.00 H new ATOM 0 HG LEU A 141 -0.996 8.805 -24.750 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -0.857 7.954 -22.444 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -2.521 8.406 -22.882 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -2.046 6.692 -22.843 1.00 0.00 H new ATOM 0 HD21 LEU A 141 0.704 7.120 -24.164 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -0.425 5.826 -24.631 1.00 0.00 H new ATOM 0 HD23 LEU A 141 0.178 6.966 -25.857 1.00 0.00 H new ATOM 612 N VAL A 142 -2.288 4.689 -23.582 1.00 0.00 N ATOM 613 CA VAL A 142 -2.561 4.085 -22.284 1.00 0.00 C ATOM 614 C VAL A 142 -1.458 4.411 -21.283 1.00 0.00 C ATOM 615 O VAL A 142 -0.291 4.549 -21.652 1.00 0.00 O ATOM 616 CB VAL A 142 -2.703 2.555 -22.395 1.00 0.00 C ATOM 617 CG1 VAL A 142 -2.843 1.930 -21.015 1.00 0.00 C ATOM 618 CG2 VAL A 142 -3.890 2.194 -23.276 1.00 0.00 C ATOM 0 H VAL A 142 -1.336 4.549 -23.920 1.00 0.00 H new ATOM 0 HA VAL A 142 -3.503 4.505 -21.932 1.00 0.00 H new ATOM 0 HB VAL A 142 -1.801 2.156 -22.858 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -2.942 0.849 -21.114 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -1.959 2.161 -20.420 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -3.728 2.332 -20.522 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -3.976 1.110 -23.344 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -4.802 2.604 -22.843 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -3.743 2.609 -24.273 1.00 0.00 H new ATOM 628 N THR A 143 -1.834 4.532 -20.014 1.00 0.00 N ATOM 629 CA THR A 143 -0.877 4.842 -18.959 1.00 0.00 C ATOM 630 C THR A 143 -1.258 4.155 -17.653 1.00 0.00 C ATOM 631 O THR A 143 -2.311 4.430 -17.078 1.00 0.00 O ATOM 632 CB THR A 143 -0.779 6.360 -18.718 1.00 0.00 C ATOM 633 OG1 THR A 143 -0.163 6.996 -19.844 1.00 0.00 O ATOM 634 CG2 THR A 143 0.022 6.657 -17.460 1.00 0.00 C ATOM 0 H THR A 143 -2.795 4.420 -19.692 1.00 0.00 H new ATOM 0 HA THR A 143 0.092 4.471 -19.292 1.00 0.00 H new ATOM 0 HB THR A 143 -1.788 6.751 -18.588 1.00 0.00 H new ATOM 0 HG1 THR A 143 -0.106 7.961 -19.684 1.00 0.00 H new ATOM 0 HG21 THR A 143 0.078 7.735 -17.310 1.00 0.00 H new ATOM 0 HG22 THR A 143 -0.466 6.196 -16.601 1.00 0.00 H new ATOM 0 HG23 THR A 143 1.029 6.253 -17.566 1.00 0.00 H new ATOM 642 N LYS A 144 -0.393 3.260 -17.187 1.00 0.00 N ATOM 643 CA LYS A 144 -0.637 2.534 -15.946 1.00 0.00 C ATOM 644 C LYS A 144 0.158 3.142 -14.795 1.00 0.00 C ATOM 645 O LYS A 144 1.389 3.127 -14.802 1.00 0.00 O ATOM 646 CB LYS A 144 -0.265 1.059 -16.112 1.00 0.00 C ATOM 647 CG LYS A 144 -1.223 0.288 -17.005 1.00 0.00 C ATOM 648 CD LYS A 144 -0.816 0.375 -18.466 1.00 0.00 C ATOM 649 CE LYS A 144 0.131 -0.752 -18.849 1.00 0.00 C ATOM 650 NZ LYS A 144 -0.546 -2.078 -18.827 1.00 0.00 N ATOM 0 H LYS A 144 0.483 3.020 -17.650 1.00 0.00 H new ATOM 0 HA LYS A 144 -1.699 2.611 -15.713 1.00 0.00 H new ATOM 0 HB2 LYS A 144 0.740 0.991 -16.527 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -0.237 0.587 -15.130 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -1.249 -0.757 -16.695 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -2.232 0.682 -16.883 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -1.705 0.334 -19.095 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -0.336 1.335 -18.654 1.00 0.00 H new ATOM 0 HE2 LYS A 144 0.533 -0.566 -19.845 1.00 0.00 H new ATOM 0 HE3 LYS A 144 0.977 -0.765 -18.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 0.164 -2.832 -18.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -1.052 -2.195 -17.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -1.224 -2.135 -19.614 1.00 0.00 H new ATOM 664 N MET A 145 -0.553 3.676 -13.807 1.00 0.00 N ATOM 665 CA MET A 145 0.087 4.287 -12.648 1.00 0.00 C ATOM 666 C MET A 145 -0.626 3.887 -11.360 1.00 0.00 C ATOM 667 O MET A 145 -1.819 3.584 -11.367 1.00 0.00 O ATOM 668 CB MET A 145 0.097 5.810 -12.788 1.00 0.00 C ATOM 669 CG MET A 145 0.227 6.541 -11.462 1.00 0.00 C ATOM 670 SD MET A 145 0.084 8.330 -11.638 1.00 0.00 S ATOM 671 CE MET A 145 -1.466 8.460 -12.527 1.00 0.00 C ATOM 0 H MET A 145 -1.573 3.698 -13.786 1.00 0.00 H new ATOM 0 HA MET A 145 1.115 3.928 -12.600 1.00 0.00 H new ATOM 0 HB2 MET A 145 0.923 6.102 -13.437 1.00 0.00 H new ATOM 0 HB3 MET A 145 -0.822 6.128 -13.280 1.00 0.00 H new ATOM 0 HG2 MET A 145 -0.543 6.184 -10.778 1.00 0.00 H new ATOM 0 HG3 MET A 145 1.190 6.300 -11.012 1.00 0.00 H new ATOM 0 HE1 MET A 145 -1.836 9.483 -12.465 1.00 0.00 H new ATOM 0 HE2 MET A 145 -1.310 8.193 -13.572 1.00 0.00 H new ATOM 0 HE3 MET A 145 -2.197 7.783 -12.085 1.00 0.00 H new ATOM 681 N CYS A 146 0.113 3.890 -10.255 1.00 0.00 N ATOM 682 CA CYS A 146 -0.448 3.527 -8.959 1.00 0.00 C ATOM 683 C CYS A 146 -0.923 4.767 -8.206 1.00 0.00 C ATOM 684 O CYS A 146 -0.449 5.876 -8.453 1.00 0.00 O ATOM 685 CB CYS A 146 0.589 2.775 -8.124 1.00 0.00 C ATOM 686 SG CYS A 146 1.653 1.656 -9.090 1.00 0.00 S ATOM 0 H CYS A 146 1.102 4.140 -10.231 1.00 0.00 H new ATOM 0 HA CYS A 146 -1.306 2.877 -9.131 1.00 0.00 H new ATOM 0 HB2 CYS A 146 1.218 3.500 -7.606 1.00 0.00 H new ATOM 0 HB3 CYS A 146 0.073 2.196 -7.358 1.00 0.00 H new ATOM 691 N HIS A 147 -1.861 4.570 -7.286 1.00 0.00 N ATOM 692 CA HIS A 147 -2.400 5.671 -6.495 1.00 0.00 C ATOM 693 C HIS A 147 -3.176 5.147 -5.291 1.00 0.00 C ATOM 694 O HIS A 147 -3.414 3.945 -5.170 1.00 0.00 O ATOM 695 CB HIS A 147 -3.306 6.550 -7.357 1.00 0.00 C ATOM 696 CG HIS A 147 -3.337 7.984 -6.925 1.00 0.00 C ATOM 697 ND1 HIS A 147 -2.325 8.877 -7.208 1.00 0.00 N ATOM 698 CD2 HIS A 147 -4.266 8.679 -6.229 1.00 0.00 C ATOM 699 CE1 HIS A 147 -2.630 10.059 -6.703 1.00 0.00 C ATOM 700 NE2 HIS A 147 -3.803 9.966 -6.103 1.00 0.00 N ATOM 0 H HIS A 147 -2.264 3.658 -7.069 1.00 0.00 H new ATOM 0 HA HIS A 147 -1.564 6.269 -6.133 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -2.970 6.498 -8.393 1.00 0.00 H new ATOM 0 HB3 HIS A 147 -4.319 6.149 -7.330 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -5.198 8.293 -5.844 1.00 0.00 H new ATOM 0 HE1 HIS A 147 -2.023 10.950 -6.769 1.00 0.00 H new ATOM 0 HE2 HIS A 147 -4.286 10.726 -5.624 1.00 0.00 H new ATOM 708 N ILE A 148 -3.566 6.055 -4.403 1.00 0.00 N ATOM 709 CA ILE A 148 -4.315 5.683 -3.209 1.00 0.00 C ATOM 710 C ILE A 148 -5.818 5.763 -3.456 1.00 0.00 C ATOM 711 O ILE A 148 -6.550 6.394 -2.695 1.00 0.00 O ATOM 712 CB ILE A 148 -3.954 6.586 -2.014 1.00 0.00 C ATOM 713 CG1 ILE A 148 -2.436 6.760 -1.920 1.00 0.00 C ATOM 714 CG2 ILE A 148 -4.506 6.001 -0.723 1.00 0.00 C ATOM 715 CD1 ILE A 148 -1.916 7.952 -2.692 1.00 0.00 C ATOM 0 H ILE A 148 -3.376 7.054 -4.488 1.00 0.00 H new ATOM 0 HA ILE A 148 -4.042 4.655 -2.973 1.00 0.00 H new ATOM 0 HB ILE A 148 -4.405 7.566 -2.168 1.00 0.00 H new ATOM 0 HG12 ILE A 148 -2.155 6.865 -0.872 1.00 0.00 H new ATOM 0 HG13 ILE A 148 -1.951 5.857 -2.291 1.00 0.00 H new ATOM 0 HG21 ILE A 148 -4.243 6.650 0.112 1.00 0.00 H new ATOM 0 HG22 ILE A 148 -5.591 5.922 -0.794 1.00 0.00 H new ATOM 0 HG23 ILE A 148 -4.080 5.011 -0.561 1.00 0.00 H new ATOM 0 HD11 ILE A 148 -0.833 8.014 -2.581 1.00 0.00 H new ATOM 0 HD12 ILE A 148 -2.166 7.840 -3.747 1.00 0.00 H new ATOM 0 HD13 ILE A 148 -2.373 8.863 -2.306 1.00 0.00 H new ATOM 727 N GLY A 149 -6.272 5.117 -4.525 1.00 0.00 N ATOM 728 CA GLY A 149 -7.686 5.125 -4.853 1.00 0.00 C ATOM 729 C GLY A 149 -7.935 5.211 -6.345 1.00 0.00 C ATOM 730 O GLY A 149 -7.510 4.339 -7.104 1.00 0.00 O ATOM 0 H GLY A 149 -5.686 4.588 -5.170 1.00 0.00 H new ATOM 0 HA2 GLY A 149 -8.152 4.220 -4.462 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -8.166 5.970 -4.359 1.00 0.00 H new ATOM 734 N CYS A 150 -8.626 6.264 -6.769 1.00 0.00 N ATOM 735 CA CYS A 150 -8.933 6.461 -8.180 1.00 0.00 C ATOM 736 C CYS A 150 -9.402 7.889 -8.441 1.00 0.00 C ATOM 737 O CYS A 150 -10.590 8.156 -8.625 1.00 0.00 O ATOM 738 CB CYS A 150 -10.008 5.469 -8.632 1.00 0.00 C ATOM 739 SG CYS A 150 -10.446 5.601 -10.396 1.00 0.00 S ATOM 0 H CYS A 150 -8.984 6.995 -6.154 1.00 0.00 H new ATOM 0 HA CYS A 150 -8.022 6.287 -8.752 1.00 0.00 H new ATOM 0 HB2 CYS A 150 -9.661 4.456 -8.430 1.00 0.00 H new ATOM 0 HB3 CYS A 150 -10.905 5.624 -8.033 1.00 0.00 H new ATOM 917 N SER A 163 -11.721 7.561 -20.326 1.00 0.00 N ATOM 918 CA SER A 163 -12.092 6.396 -19.531 1.00 0.00 C ATOM 919 C SER A 163 -11.002 6.060 -18.518 1.00 0.00 C ATOM 920 O SER A 163 -9.812 6.211 -18.797 1.00 0.00 O ATOM 921 CB SER A 163 -12.347 5.192 -20.440 1.00 0.00 C ATOM 922 OG SER A 163 -12.216 3.976 -19.725 1.00 0.00 O ATOM 0 HA SER A 163 -13.007 6.634 -18.989 1.00 0.00 H new ATOM 0 HB2 SER A 163 -13.348 5.260 -20.867 1.00 0.00 H new ATOM 0 HB3 SER A 163 -11.644 5.206 -21.272 1.00 0.00 H new ATOM 0 HG SER A 163 -12.385 3.222 -20.328 1.00 0.00 H new ATOM 928 N ILE A 164 -11.417 5.605 -17.341 1.00 0.00 N ATOM 929 CA ILE A 164 -10.477 5.246 -16.286 1.00 0.00 C ATOM 930 C ILE A 164 -10.988 4.062 -15.473 1.00 0.00 C ATOM 931 O ILE A 164 -11.992 4.167 -14.768 1.00 0.00 O ATOM 932 CB ILE A 164 -10.216 6.431 -15.338 1.00 0.00 C ATOM 933 CG1 ILE A 164 -9.856 7.684 -16.139 1.00 0.00 C ATOM 934 CG2 ILE A 164 -9.108 6.088 -14.354 1.00 0.00 C ATOM 935 CD1 ILE A 164 -9.602 8.900 -15.277 1.00 0.00 C ATOM 0 H ILE A 164 -12.398 5.476 -17.094 1.00 0.00 H new ATOM 0 HA ILE A 164 -9.543 4.970 -16.776 1.00 0.00 H new ATOM 0 HB ILE A 164 -11.126 6.633 -14.774 1.00 0.00 H new ATOM 0 HG12 ILE A 164 -8.967 7.480 -16.737 1.00 0.00 H new ATOM 0 HG13 ILE A 164 -10.665 7.905 -16.835 1.00 0.00 H new ATOM 0 HG21 ILE A 164 -8.935 6.936 -13.691 1.00 0.00 H new ATOM 0 HG22 ILE A 164 -9.401 5.220 -13.764 1.00 0.00 H new ATOM 0 HG23 ILE A 164 -8.192 5.863 -14.901 1.00 0.00 H new ATOM 0 HD11 ILE A 164 -9.352 9.750 -15.912 1.00 0.00 H new ATOM 0 HD12 ILE A 164 -10.497 9.129 -14.699 1.00 0.00 H new ATOM 0 HD13 ILE A 164 -8.773 8.698 -14.598 1.00 0.00 H new ATOM 947 N ALA A 165 -10.290 2.936 -15.575 1.00 0.00 N ATOM 948 CA ALA A 165 -10.671 1.732 -14.846 1.00 0.00 C ATOM 949 C ALA A 165 -9.697 1.448 -13.708 1.00 0.00 C ATOM 950 O ALA A 165 -8.594 0.949 -13.932 1.00 0.00 O ATOM 951 CB ALA A 165 -10.742 0.542 -15.792 1.00 0.00 C ATOM 0 H ALA A 165 -9.458 2.832 -16.155 1.00 0.00 H new ATOM 0 HA ALA A 165 -11.657 1.897 -14.412 1.00 0.00 H new ATOM 0 HB1 ALA A 165 -11.027 -0.350 -15.234 1.00 0.00 H new ATOM 0 HB2 ALA A 165 -11.483 0.737 -16.568 1.00 0.00 H new ATOM 0 HB3 ALA A 165 -9.767 0.385 -16.253 1.00 0.00 H new ATOM 957 N CYS A 166 -10.110 1.770 -12.487 1.00 0.00 N ATOM 958 CA CYS A 166 -9.274 1.551 -11.313 1.00 0.00 C ATOM 959 C CYS A 166 -9.735 0.320 -10.539 1.00 0.00 C ATOM 960 O CYS A 166 -10.910 -0.047 -10.576 1.00 0.00 O ATOM 961 CB CYS A 166 -9.304 2.780 -10.403 1.00 0.00 C ATOM 962 SG CYS A 166 -8.994 4.354 -11.268 1.00 0.00 S ATOM 0 H CYS A 166 -11.020 2.184 -12.285 1.00 0.00 H new ATOM 0 HA CYS A 166 -8.252 1.383 -11.652 1.00 0.00 H new ATOM 0 HB2 CYS A 166 -10.276 2.832 -9.913 1.00 0.00 H new ATOM 0 HB3 CYS A 166 -8.558 2.656 -9.618 1.00 0.00 H new ATOM 967 N CYS A 167 -8.802 -0.315 -9.838 1.00 0.00 N ATOM 968 CA CYS A 167 -9.111 -1.505 -9.054 1.00 0.00 C ATOM 969 C CYS A 167 -8.111 -1.680 -7.914 1.00 0.00 C ATOM 970 O CYS A 167 -6.962 -1.252 -8.013 1.00 0.00 O ATOM 971 CB CYS A 167 -9.103 -2.746 -9.949 1.00 0.00 C ATOM 972 SG CYS A 167 -7.996 -2.617 -11.390 1.00 0.00 S ATOM 0 H CYS A 167 -7.825 -0.025 -9.797 1.00 0.00 H new ATOM 0 HA CYS A 167 -10.105 -1.380 -8.626 1.00 0.00 H new ATOM 0 HB2 CYS A 167 -8.806 -3.609 -9.353 1.00 0.00 H new ATOM 0 HB3 CYS A 167 -10.118 -2.934 -10.300 1.00 0.00 H new ATOM 977 N GLN A 168 -8.559 -2.312 -6.834 1.00 0.00 N ATOM 978 CA GLN A 168 -7.705 -2.543 -5.675 1.00 0.00 C ATOM 979 C GLN A 168 -7.006 -3.895 -5.775 1.00 0.00 C ATOM 980 O GLN A 168 -6.943 -4.647 -4.801 1.00 0.00 O ATOM 981 CB GLN A 168 -8.526 -2.473 -4.387 1.00 0.00 C ATOM 982 CG GLN A 168 -9.864 -3.189 -4.480 1.00 0.00 C ATOM 983 CD GLN A 168 -9.728 -4.622 -4.956 1.00 0.00 C ATOM 984 OE1 GLN A 168 -9.788 -4.898 -6.155 1.00 0.00 O ATOM 985 NE2 GLN A 168 -9.545 -5.543 -4.018 1.00 0.00 N ATOM 0 H GLN A 168 -9.508 -2.673 -6.737 1.00 0.00 H new ATOM 0 HA GLN A 168 -6.945 -1.762 -5.654 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -7.947 -2.907 -3.572 1.00 0.00 H new ATOM 0 HB3 GLN A 168 -8.700 -1.427 -4.133 1.00 0.00 H new ATOM 0 HG2 GLN A 168 -10.346 -3.179 -3.502 1.00 0.00 H new ATOM 0 HG3 GLN A 168 -10.517 -2.644 -5.162 1.00 0.00 H new ATOM 0 HE21 GLN A 168 -9.502 -5.270 -3.036 1.00 0.00 H new ATOM 0 HE22 GLN A 168 -9.448 -6.524 -4.279 1.00 0.00 H new ATOM 994 N THR A 169 -6.483 -4.200 -6.959 1.00 0.00 N ATOM 995 CA THR A 169 -5.791 -5.462 -7.186 1.00 0.00 C ATOM 996 C THR A 169 -4.459 -5.239 -7.892 1.00 0.00 C ATOM 997 O THR A 169 -4.377 -4.483 -8.860 1.00 0.00 O ATOM 998 CB THR A 169 -6.648 -6.430 -8.024 1.00 0.00 C ATOM 999 OG1 THR A 169 -7.579 -5.692 -8.824 1.00 0.00 O ATOM 1000 CG2 THR A 169 -7.399 -7.402 -7.128 1.00 0.00 C ATOM 0 H THR A 169 -6.526 -3.590 -7.775 1.00 0.00 H new ATOM 0 HA THR A 169 -5.610 -5.904 -6.206 1.00 0.00 H new ATOM 0 HB THR A 169 -5.984 -7.000 -8.674 1.00 0.00 H new ATOM 0 HG1 THR A 169 -8.119 -6.314 -9.355 1.00 0.00 H new ATOM 0 HG21 THR A 169 -7.997 -8.075 -7.742 1.00 0.00 H new ATOM 0 HG22 THR A 169 -6.686 -7.982 -6.542 1.00 0.00 H new ATOM 0 HG23 THR A 169 -8.053 -6.846 -6.456 1.00 0.00 H new ATOM 1008 N SER A 170 -3.416 -5.901 -7.401 1.00 0.00 N ATOM 1009 CA SER A 170 -2.085 -5.772 -7.984 1.00 0.00 C ATOM 1010 C SER A 170 -2.104 -6.135 -9.466 1.00 0.00 C ATOM 1011 O SER A 170 -2.676 -7.151 -9.862 1.00 0.00 O ATOM 1012 CB SER A 170 -1.091 -6.667 -7.241 1.00 0.00 C ATOM 1013 OG SER A 170 -1.192 -8.012 -7.676 1.00 0.00 O ATOM 0 H SER A 170 -3.467 -6.532 -6.601 1.00 0.00 H new ATOM 0 HA SER A 170 -1.771 -4.733 -7.886 1.00 0.00 H new ATOM 0 HB2 SER A 170 -0.077 -6.304 -7.405 1.00 0.00 H new ATOM 0 HB3 SER A 170 -1.279 -6.613 -6.169 1.00 0.00 H new ATOM 0 HG SER A 170 -0.546 -8.563 -7.188 1.00 0.00 H new ATOM 1019 N LEU A 171 -1.474 -5.296 -10.281 1.00 0.00 N ATOM 1020 CA LEU A 171 -1.417 -5.526 -11.721 1.00 0.00 C ATOM 1021 C LEU A 171 -2.798 -5.863 -12.274 1.00 0.00 C ATOM 1022 O LEU A 171 -2.941 -6.743 -13.123 1.00 0.00 O ATOM 1023 CB LEU A 171 -0.439 -6.659 -12.037 1.00 0.00 C ATOM 1024 CG LEU A 171 0.994 -6.468 -11.537 1.00 0.00 C ATOM 1025 CD1 LEU A 171 1.738 -7.794 -11.530 1.00 0.00 C ATOM 1026 CD2 LEU A 171 1.726 -5.447 -12.396 1.00 0.00 C ATOM 0 H LEU A 171 -0.996 -4.451 -9.970 1.00 0.00 H new ATOM 0 HA LEU A 171 -1.069 -4.609 -12.197 1.00 0.00 H new ATOM 0 HB2 LEU A 171 -0.832 -7.581 -11.609 1.00 0.00 H new ATOM 0 HB3 LEU A 171 -0.410 -6.796 -13.118 1.00 0.00 H new ATOM 0 HG LEU A 171 0.955 -6.092 -10.515 1.00 0.00 H new ATOM 0 HD11 LEU A 171 2.756 -7.638 -11.171 1.00 0.00 H new ATOM 0 HD12 LEU A 171 1.225 -8.496 -10.872 1.00 0.00 H new ATOM 0 HD13 LEU A 171 1.768 -8.200 -12.541 1.00 0.00 H new ATOM 0 HD21 LEU A 171 2.744 -5.323 -12.026 1.00 0.00 H new ATOM 0 HD22 LEU A 171 1.755 -5.794 -13.429 1.00 0.00 H new ATOM 0 HD23 LEU A 171 1.204 -4.491 -12.349 1.00 0.00 H new ATOM 1038 N CYS A 172 -3.813 -5.155 -11.788 1.00 0.00 N ATOM 1039 CA CYS A 172 -5.183 -5.377 -12.234 1.00 0.00 C ATOM 1040 C CYS A 172 -5.465 -4.612 -13.524 1.00 0.00 C ATOM 1041 O CYS A 172 -6.618 -4.335 -13.854 1.00 0.00 O ATOM 1042 CB CYS A 172 -6.171 -4.948 -11.147 1.00 0.00 C ATOM 1043 SG CYS A 172 -6.263 -3.146 -10.895 1.00 0.00 S ATOM 0 H CYS A 172 -3.712 -4.423 -11.085 1.00 0.00 H new ATOM 0 HA CYS A 172 -5.308 -6.442 -12.429 1.00 0.00 H new ATOM 0 HB2 CYS A 172 -7.163 -5.319 -11.406 1.00 0.00 H new ATOM 0 HB3 CYS A 172 -5.889 -5.422 -10.207 1.00 0.00 H new ATOM 1048 N ASN A 173 -4.404 -4.273 -14.249 1.00 0.00 N ATOM 1049 CA ASN A 173 -4.537 -3.540 -15.502 1.00 0.00 C ATOM 1050 C ASN A 173 -4.208 -4.434 -16.694 1.00 0.00 C ATOM 1051 O ASN A 173 -4.395 -4.045 -17.847 1.00 0.00 O ATOM 1052 CB ASN A 173 -3.620 -2.315 -15.501 1.00 0.00 C ATOM 1053 CG ASN A 173 -3.804 -1.456 -14.265 1.00 0.00 C ATOM 1054 OD1 ASN A 173 -4.730 -1.666 -13.482 1.00 0.00 O ATOM 1055 ND2 ASN A 173 -2.920 -0.482 -14.085 1.00 0.00 N ATOM 0 H ASN A 173 -3.443 -4.494 -13.990 1.00 0.00 H new ATOM 0 HA ASN A 173 -5.572 -3.211 -15.592 1.00 0.00 H new ATOM 0 HB2 ASN A 173 -2.582 -2.642 -15.562 1.00 0.00 H new ATOM 0 HB3 ASN A 173 -3.818 -1.716 -16.390 1.00 0.00 H new ATOM 0 HD21 ASN A 173 -2.993 0.129 -13.271 1.00 0.00 H new ATOM 0 HD22 ASN A 173 -2.168 -0.344 -14.760 1.00 0.00 H new ATOM 1062 N HIS A 174 -3.718 -5.636 -16.407 1.00 0.00 N ATOM 1063 CA HIS A 174 -3.364 -6.587 -17.454 1.00 0.00 C ATOM 1064 C HIS A 174 -4.615 -7.195 -18.082 1.00 0.00 C ATOM 1065 O HIS A 174 -5.736 -6.800 -17.762 1.00 0.00 O ATOM 1066 CB HIS A 174 -2.474 -7.694 -16.887 1.00 0.00 C ATOM 1067 CG HIS A 174 -3.214 -8.681 -16.038 1.00 0.00 C ATOM 1068 ND1 HIS A 174 -2.833 -10.001 -15.912 1.00 0.00 N ATOM 1069 CD2 HIS A 174 -4.318 -8.535 -15.268 1.00 0.00 C ATOM 1070 CE1 HIS A 174 -3.671 -10.623 -15.103 1.00 0.00 C ATOM 1071 NE2 HIS A 174 -4.581 -9.756 -14.698 1.00 0.00 N ATOM 0 H HIS A 174 -3.557 -5.974 -15.458 1.00 0.00 H new ATOM 0 HA HIS A 174 -2.815 -6.050 -18.228 1.00 0.00 H new ATOM 0 HB2 HIS A 174 -1.996 -8.223 -17.712 1.00 0.00 H new ATOM 0 HB3 HIS A 174 -1.679 -7.242 -16.295 1.00 0.00 H new ATOM 0 HD2 HIS A 174 -4.886 -7.627 -15.128 1.00 0.00 H new ATOM 0 HE1 HIS A 174 -3.621 -11.664 -14.820 1.00 0.00 H new ATOM 0 HE2 HIS A 174 -5.354 -9.960 -14.064 1.00 0.00 H new ATOM 1079 N ASP A 175 -4.415 -8.156 -18.976 1.00 0.00 N ATOM 1080 CA ASP A 175 -5.526 -8.819 -19.649 1.00 0.00 C ATOM 1081 C ASP A 175 -5.471 -10.328 -19.432 1.00 0.00 C ATOM 1082 O ASP A 175 -4.392 -10.921 -19.401 1.00 0.00 O ATOM 1083 CB ASP A 175 -5.505 -8.505 -21.145 1.00 0.00 C ATOM 1084 CG ASP A 175 -6.887 -8.553 -21.767 1.00 0.00 C ATOM 1085 OD1 ASP A 175 -7.334 -9.660 -22.135 1.00 0.00 O ATOM 1086 OD2 ASP A 175 -7.522 -7.485 -21.885 1.00 0.00 O ATOM 0 H ASP A 175 -3.493 -8.494 -19.252 1.00 0.00 H new ATOM 0 HA ASP A 175 -6.455 -8.442 -19.220 1.00 0.00 H new ATOM 0 HB2 ASP A 175 -5.075 -7.516 -21.299 1.00 0.00 H new ATOM 0 HB3 ASP A 175 -4.856 -9.218 -21.654 1.00 0.00 H new