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 140:sc= -0.615 USER MOD Set 1.2: A 173 ASN : amide:sc= -1.61 K(o=-2.2,f=-6.1!) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HD1:sc= -1.66 K(o=-1.7,f=-5.5!) USER MOD Single : A 105 GLN : amide:sc= -0.272 X(o=-0.27,f=0) 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= -0.248 X(o=-0.25,f=-0.053) USER MOD Single : A 116 SER OG : rot 180:sc= -0.152 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 128 THR OG1 : rot -49:sc= 0.528 USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 THR OG1 : rot -37:sc= 0.098 USER MOD Single : A 144 LYS NZ :NH3+ 165:sc= -0.912 (180deg=-1.59) USER MOD Single : A 145 MET CE :methyl -139:sc= -1.76 (180deg=-3.05!) USER MOD Single : A 147 HIS : no HD1:sc= -0.301 X(o=-0.3,f=0.0032) USER MOD Single : A 163 SER OG : rot 180:sc= 0 USER MOD Single : A 168 GLN : amide:sc= -0.108 K(o=-0.11,f=-2!) USER MOD Single : A 169 THR OG1 : rot 180:sc= -1.73 USER MOD Single : A 170 SER OG : rot 180:sc= 0.0352 USER MOD Single : A 174 HIS : no HD1:sc= -1.33 K(o=-1.3,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 100 1.486 0.451 -1.632 1.00 0.00 N ATOM 2 CA MET A 100 2.712 -0.333 -1.546 1.00 0.00 C ATOM 3 C MET A 100 2.560 -1.663 -2.278 1.00 0.00 C ATOM 4 O MET A 100 3.268 -2.627 -1.986 1.00 0.00 O ATOM 5 CB MET A 100 3.083 -0.582 -0.083 1.00 0.00 C ATOM 6 CG MET A 100 2.061 -1.419 0.669 1.00 0.00 C ATOM 7 SD MET A 100 2.736 -2.157 2.169 1.00 0.00 S ATOM 8 CE MET A 100 2.683 -0.759 3.287 1.00 0.00 C ATOM 0 HA MET A 100 3.510 0.235 -2.024 1.00 0.00 H new ATOM 0 HB2 MET A 100 4.051 -1.082 -0.042 1.00 0.00 H new ATOM 0 HB3 MET A 100 3.198 0.377 0.422 1.00 0.00 H new ATOM 0 HG2 MET A 100 1.206 -0.795 0.929 1.00 0.00 H new ATOM 0 HG3 MET A 100 1.692 -2.209 0.015 1.00 0.00 H new ATOM 0 HE1 MET A 100 3.070 -1.057 4.261 1.00 0.00 H new ATOM 0 HE2 MET A 100 3.293 0.050 2.887 1.00 0.00 H new ATOM 0 HE3 MET A 100 1.653 -0.418 3.394 1.00 0.00 H new ATOM 18 N ILE A 101 1.632 -1.707 -3.228 1.00 0.00 N ATOM 19 CA ILE A 101 1.388 -2.918 -4.001 1.00 0.00 C ATOM 20 C ILE A 101 2.054 -2.840 -5.371 1.00 0.00 C ATOM 21 O ILE A 101 2.567 -1.792 -5.763 1.00 0.00 O ATOM 22 CB ILE A 101 -0.119 -3.172 -4.189 1.00 0.00 C ATOM 23 CG1 ILE A 101 -0.642 -2.397 -5.400 1.00 0.00 C ATOM 24 CG2 ILE A 101 -0.883 -2.781 -2.933 1.00 0.00 C ATOM 25 CD1 ILE A 101 -2.149 -2.413 -5.523 1.00 0.00 C ATOM 0 H ILE A 101 1.037 -0.918 -3.481 1.00 0.00 H new ATOM 0 HA ILE A 101 1.820 -3.744 -3.437 1.00 0.00 H new ATOM 0 HB ILE A 101 -0.273 -4.236 -4.368 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -0.302 -1.363 -5.334 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -0.207 -2.818 -6.306 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -1.947 -2.966 -3.082 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -0.526 -3.373 -2.091 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.725 -1.723 -2.726 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -2.448 -1.844 -6.403 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -2.495 -3.442 -5.621 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -2.591 -1.964 -4.634 1.00 0.00 H new ATOM 37 N TRP A 102 2.040 -3.954 -6.093 1.00 0.00 N ATOM 38 CA TRP A 102 2.641 -4.011 -7.421 1.00 0.00 C ATOM 39 C TRP A 102 1.600 -3.741 -8.502 1.00 0.00 C ATOM 40 O TRP A 102 0.516 -4.324 -8.494 1.00 0.00 O ATOM 41 CB TRP A 102 3.290 -5.377 -7.651 1.00 0.00 C ATOM 42 CG TRP A 102 4.270 -5.756 -6.583 1.00 0.00 C ATOM 43 CD1 TRP A 102 3.980 -6.190 -5.321 1.00 0.00 C ATOM 44 CD2 TRP A 102 5.698 -5.735 -6.683 1.00 0.00 C ATOM 45 NE1 TRP A 102 5.142 -6.438 -4.630 1.00 0.00 N ATOM 46 CE2 TRP A 102 6.210 -6.168 -5.444 1.00 0.00 C ATOM 47 CE3 TRP A 102 6.595 -5.393 -7.699 1.00 0.00 C ATOM 48 CZ2 TRP A 102 7.576 -6.267 -5.197 1.00 0.00 C ATOM 49 CZ3 TRP A 102 7.951 -5.492 -7.452 1.00 0.00 C ATOM 50 CH2 TRP A 102 8.431 -5.926 -6.210 1.00 0.00 C ATOM 0 H TRP A 102 1.620 -4.830 -5.782 1.00 0.00 H new ATOM 0 HA TRP A 102 3.407 -3.238 -7.479 1.00 0.00 H new ATOM 0 HB2 TRP A 102 2.511 -6.137 -7.705 1.00 0.00 H new ATOM 0 HB3 TRP A 102 3.798 -5.372 -8.615 1.00 0.00 H new ATOM 0 HD1 TRP A 102 2.984 -6.319 -4.924 1.00 0.00 H new ATOM 0 HE1 TRP A 102 5.200 -6.769 -3.667 1.00 0.00 H new ATOM 0 HE3 TRP A 102 6.235 -5.057 -8.660 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 7.948 -6.601 -4.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 8.653 -5.230 -8.230 1.00 0.00 H new ATOM 0 HH2 TRP A 102 9.497 -5.993 -6.048 1.00 0.00 H new ATOM 61 N CYS A 103 1.936 -2.852 -9.431 1.00 0.00 N ATOM 62 CA CYS A 103 1.030 -2.504 -10.519 1.00 0.00 C ATOM 63 C CYS A 103 1.807 -2.188 -11.794 1.00 0.00 C ATOM 64 O CYS A 103 3.030 -2.326 -11.839 1.00 0.00 O ATOM 65 CB CYS A 103 0.164 -1.305 -10.126 1.00 0.00 C ATOM 66 SG CYS A 103 -0.913 -1.605 -8.688 1.00 0.00 S ATOM 0 H CYS A 103 2.829 -2.360 -9.452 1.00 0.00 H new ATOM 0 HA CYS A 103 0.386 -3.362 -10.710 1.00 0.00 H new ATOM 0 HB2 CYS A 103 0.813 -0.457 -9.909 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -0.455 -1.023 -10.978 1.00 0.00 H new ATOM 71 N HIS A 104 1.089 -1.762 -12.828 1.00 0.00 N ATOM 72 CA HIS A 104 1.711 -1.425 -14.104 1.00 0.00 C ATOM 73 C HIS A 104 1.994 0.072 -14.192 1.00 0.00 C ATOM 74 O HIS A 104 1.128 0.895 -13.893 1.00 0.00 O ATOM 75 CB HIS A 104 0.811 -1.854 -15.263 1.00 0.00 C ATOM 76 CG HIS A 104 0.822 -3.331 -15.514 1.00 0.00 C ATOM 77 ND1 HIS A 104 1.953 -4.108 -15.382 1.00 0.00 N ATOM 78 CD2 HIS A 104 -0.170 -4.172 -15.889 1.00 0.00 C ATOM 79 CE1 HIS A 104 1.657 -5.364 -15.667 1.00 0.00 C ATOM 80 NE2 HIS A 104 0.375 -5.430 -15.978 1.00 0.00 N ATOM 0 H HIS A 104 0.076 -1.642 -12.808 1.00 0.00 H new ATOM 0 HA HIS A 104 2.658 -1.961 -14.171 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -0.211 -1.536 -15.056 1.00 0.00 H new ATOM 0 HB3 HIS A 104 1.128 -1.337 -16.169 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -1.198 -3.904 -16.082 1.00 0.00 H new ATOM 0 HE1 HIS A 104 2.346 -6.195 -15.649 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -0.128 -6.277 -16.241 1.00 0.00 H new ATOM 88 N GLN A 105 3.210 0.416 -14.602 1.00 0.00 N ATOM 89 CA GLN A 105 3.606 1.814 -14.727 1.00 0.00 C ATOM 90 C GLN A 105 4.140 2.105 -16.126 1.00 0.00 C ATOM 91 O GLN A 105 5.055 2.912 -16.297 1.00 0.00 O ATOM 92 CB GLN A 105 4.667 2.161 -13.681 1.00 0.00 C ATOM 93 CG GLN A 105 4.086 2.676 -12.374 1.00 0.00 C ATOM 94 CD GLN A 105 4.910 2.268 -11.169 1.00 0.00 C ATOM 95 OE1 GLN A 105 5.774 3.017 -10.711 1.00 0.00 O ATOM 96 NE2 GLN A 105 4.647 1.076 -10.647 1.00 0.00 N ATOM 0 H GLN A 105 3.938 -0.253 -14.853 1.00 0.00 H new ATOM 0 HA GLN A 105 2.724 2.432 -14.558 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.268 1.275 -13.478 1.00 0.00 H new ATOM 0 HB3 GLN A 105 5.338 2.915 -14.093 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.020 3.763 -12.413 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.070 2.299 -12.259 1.00 0.00 H new ATOM 0 HE21 GLN A 105 3.922 0.488 -11.058 1.00 0.00 H new ATOM 0 HE22 GLN A 105 5.170 0.749 -9.835 1.00 0.00 H new ATOM 105 N CYS A 106 3.564 1.443 -17.124 1.00 0.00 N ATOM 106 CA CYS A 106 3.982 1.629 -18.508 1.00 0.00 C ATOM 107 C CYS A 106 3.323 2.865 -19.113 1.00 0.00 C ATOM 108 O CYS A 106 2.301 3.342 -18.620 1.00 0.00 O ATOM 109 CB CYS A 106 3.634 0.393 -19.339 1.00 0.00 C ATOM 110 SG CYS A 106 4.791 0.066 -20.707 1.00 0.00 S ATOM 0 H CYS A 106 2.806 0.772 -17.000 1.00 0.00 H new ATOM 0 HA CYS A 106 5.062 1.772 -18.519 1.00 0.00 H new ATOM 0 HB2 CYS A 106 3.609 -0.477 -18.683 1.00 0.00 H new ATOM 0 HB3 CYS A 106 2.631 0.514 -19.747 1.00 0.00 H new ATOM 115 N THR A 107 3.915 3.379 -20.187 1.00 0.00 N ATOM 116 CA THR A 107 3.387 4.559 -20.860 1.00 0.00 C ATOM 117 C THR A 107 2.141 4.218 -21.669 1.00 0.00 C ATOM 118 O THR A 107 1.144 4.939 -21.626 1.00 0.00 O ATOM 119 CB THR A 107 4.436 5.189 -21.795 1.00 0.00 C ATOM 120 OG1 THR A 107 5.603 5.551 -21.048 1.00 0.00 O ATOM 121 CG2 THR A 107 3.872 6.419 -22.491 1.00 0.00 C ATOM 0 H THR A 107 4.761 2.996 -20.609 1.00 0.00 H new ATOM 0 HA THR A 107 3.127 5.277 -20.082 1.00 0.00 H new ATOM 0 HB THR A 107 4.704 4.453 -22.553 1.00 0.00 H new ATOM 0 HG1 THR A 107 6.266 5.949 -21.650 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.631 6.847 -23.146 1.00 0.00 H new ATOM 0 HG22 THR A 107 3.001 6.135 -23.082 1.00 0.00 H new ATOM 0 HG23 THR A 107 3.579 7.157 -21.744 1.00 0.00 H new ATOM 129 N GLY A 108 2.204 3.115 -22.408 1.00 0.00 N ATOM 130 CA GLY A 108 1.073 2.698 -23.217 1.00 0.00 C ATOM 131 C GLY A 108 1.420 2.592 -24.688 1.00 0.00 C ATOM 132 O GLY A 108 1.910 3.549 -25.289 1.00 0.00 O ATOM 0 H GLY A 108 3.018 2.502 -22.461 1.00 0.00 H new ATOM 0 HA2 GLY A 108 0.712 1.733 -22.862 1.00 0.00 H new ATOM 0 HA3 GLY A 108 0.257 3.410 -23.090 1.00 0.00 H new ATOM 136 N PHE A 109 1.168 1.425 -25.272 1.00 0.00 N ATOM 137 CA PHE A 109 1.460 1.196 -26.682 1.00 0.00 C ATOM 138 C PHE A 109 0.727 -0.040 -27.196 1.00 0.00 C ATOM 139 O PHE A 109 1.349 -1.027 -27.585 1.00 0.00 O ATOM 140 CB PHE A 109 2.967 1.034 -26.893 1.00 0.00 C ATOM 141 CG PHE A 109 3.676 2.328 -27.173 1.00 0.00 C ATOM 142 CD1 PHE A 109 3.400 3.049 -28.324 1.00 0.00 C ATOM 143 CD2 PHE A 109 4.618 2.823 -26.286 1.00 0.00 C ATOM 144 CE1 PHE A 109 4.052 4.239 -28.585 1.00 0.00 C ATOM 145 CE2 PHE A 109 5.272 4.014 -26.541 1.00 0.00 C ATOM 146 CZ PHE A 109 4.988 4.723 -27.692 1.00 0.00 C ATOM 0 H PHE A 109 0.762 0.623 -24.790 1.00 0.00 H new ATOM 0 HA PHE A 109 1.113 2.063 -27.244 1.00 0.00 H new ATOM 0 HB2 PHE A 109 3.403 0.575 -26.006 1.00 0.00 H new ATOM 0 HB3 PHE A 109 3.138 0.348 -27.723 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.667 2.677 -29.025 1.00 0.00 H new ATOM 0 HD2 PHE A 109 4.844 2.272 -25.385 1.00 0.00 H new ATOM 0 HE1 PHE A 109 3.830 4.790 -29.487 1.00 0.00 H new ATOM 0 HE2 PHE A 109 6.004 4.390 -25.841 1.00 0.00 H new ATOM 0 HZ PHE A 109 5.497 5.654 -27.893 1.00 0.00 H new ATOM 156 N GLY A 110 -0.601 0.023 -27.193 1.00 0.00 N ATOM 157 CA GLY A 110 -1.398 -1.096 -27.660 1.00 0.00 C ATOM 158 C GLY A 110 -1.388 -2.260 -26.689 1.00 0.00 C ATOM 159 O GLY A 110 -1.367 -3.420 -27.099 1.00 0.00 O ATOM 0 H GLY A 110 -1.139 0.829 -26.875 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -2.425 -0.766 -27.817 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -1.019 -1.430 -28.626 1.00 0.00 H new ATOM 163 N GLY A 111 -1.401 -1.950 -25.396 1.00 0.00 N ATOM 164 CA GLY A 111 -1.391 -2.990 -24.384 1.00 0.00 C ATOM 165 C GLY A 111 -0.054 -3.098 -23.677 1.00 0.00 C ATOM 166 O GLY A 111 0.403 -4.197 -23.361 1.00 0.00 O ATOM 0 H GLY A 111 -1.418 -0.997 -25.032 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -2.171 -2.786 -23.650 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -1.632 -3.947 -24.848 1.00 0.00 H new ATOM 170 N CYS A 112 0.576 -1.955 -23.429 1.00 0.00 N ATOM 171 CA CYS A 112 1.870 -1.925 -22.757 1.00 0.00 C ATOM 172 C CYS A 112 1.825 -2.720 -21.455 1.00 0.00 C ATOM 173 O CYS A 112 0.751 -3.014 -20.932 1.00 0.00 O ATOM 174 CB CYS A 112 2.286 -0.481 -22.471 1.00 0.00 C ATOM 175 SG CYS A 112 4.088 -0.219 -22.439 1.00 0.00 S ATOM 0 H CYS A 112 0.212 -1.037 -23.683 1.00 0.00 H new ATOM 0 HA CYS A 112 2.605 -2.384 -23.418 1.00 0.00 H new ATOM 0 HB2 CYS A 112 1.849 0.169 -23.229 1.00 0.00 H new ATOM 0 HB3 CYS A 112 1.868 -0.177 -21.511 1.00 0.00 H new ATOM 180 N SER A 113 3.000 -3.065 -20.938 1.00 0.00 N ATOM 181 CA SER A 113 3.096 -3.829 -19.700 1.00 0.00 C ATOM 182 C SER A 113 4.380 -3.489 -18.950 1.00 0.00 C ATOM 183 O SER A 113 5.434 -3.292 -19.556 1.00 0.00 O ATOM 184 CB SER A 113 3.047 -5.329 -19.996 1.00 0.00 C ATOM 185 OG SER A 113 3.910 -5.665 -21.069 1.00 0.00 O ATOM 0 H SER A 113 3.899 -2.827 -21.358 1.00 0.00 H new ATOM 0 HA SER A 113 2.247 -3.562 -19.071 1.00 0.00 H new ATOM 0 HB2 SER A 113 3.334 -5.888 -19.105 1.00 0.00 H new ATOM 0 HB3 SER A 113 2.026 -5.622 -20.241 1.00 0.00 H new ATOM 0 HG SER A 113 3.862 -6.629 -21.238 1.00 0.00 H new ATOM 191 N HIS A 114 4.285 -3.421 -17.625 1.00 0.00 N ATOM 192 CA HIS A 114 5.438 -3.105 -16.791 1.00 0.00 C ATOM 193 C HIS A 114 5.080 -3.199 -15.311 1.00 0.00 C ATOM 194 O HIS A 114 4.872 -2.185 -14.646 1.00 0.00 O ATOM 195 CB HIS A 114 5.960 -1.704 -17.113 1.00 0.00 C ATOM 196 CG HIS A 114 7.420 -1.529 -16.830 1.00 0.00 C ATOM 197 ND1 HIS A 114 7.983 -0.312 -16.509 1.00 0.00 N ATOM 198 CD2 HIS A 114 8.434 -2.426 -16.819 1.00 0.00 C ATOM 199 CE1 HIS A 114 9.280 -0.467 -16.314 1.00 0.00 C ATOM 200 NE2 HIS A 114 9.579 -1.741 -16.496 1.00 0.00 N ATOM 0 H HIS A 114 3.421 -3.581 -17.107 1.00 0.00 H new ATOM 0 HA HIS A 114 6.220 -3.834 -17.005 1.00 0.00 H new ATOM 0 HB2 HIS A 114 5.774 -1.489 -18.165 1.00 0.00 H new ATOM 0 HB3 HIS A 114 5.396 -0.973 -16.534 1.00 0.00 H new ATOM 0 HD2 HIS A 114 8.357 -3.483 -17.026 1.00 0.00 H new ATOM 0 HE1 HIS A 114 9.977 0.314 -16.051 1.00 0.00 H new ATOM 0 HE2 HIS A 114 10.510 -2.149 -16.410 1.00 0.00 H new ATOM 208 N GLY A 115 5.009 -4.425 -14.800 1.00 0.00 N ATOM 209 CA GLY A 115 4.675 -4.629 -13.403 1.00 0.00 C ATOM 210 C GLY A 115 5.808 -4.242 -12.473 1.00 0.00 C ATOM 211 O GLY A 115 6.802 -4.960 -12.363 1.00 0.00 O ATOM 0 H GLY A 115 5.177 -5.281 -15.329 1.00 0.00 H new ATOM 0 HA2 GLY A 115 3.790 -4.043 -13.155 1.00 0.00 H new ATOM 0 HA3 GLY A 115 4.420 -5.676 -13.243 1.00 0.00 H new ATOM 215 N SER A 116 5.660 -3.103 -11.804 1.00 0.00 N ATOM 216 CA SER A 116 6.682 -2.619 -10.884 1.00 0.00 C ATOM 217 C SER A 116 6.061 -2.200 -9.555 1.00 0.00 C ATOM 218 O SER A 116 4.857 -1.958 -9.468 1.00 0.00 O ATOM 219 CB SER A 116 7.437 -1.440 -11.501 1.00 0.00 C ATOM 220 OG SER A 116 8.259 -0.802 -10.539 1.00 0.00 O ATOM 0 H SER A 116 4.842 -2.498 -11.882 1.00 0.00 H new ATOM 0 HA SER A 116 7.383 -3.433 -10.698 1.00 0.00 H new ATOM 0 HB2 SER A 116 8.049 -1.791 -12.332 1.00 0.00 H new ATOM 0 HB3 SER A 116 6.726 -0.722 -11.910 1.00 0.00 H new ATOM 0 HG SER A 116 8.732 -0.053 -10.958 1.00 0.00 H new ATOM 226 N ARG A 117 6.892 -2.116 -8.521 1.00 0.00 N ATOM 227 CA ARG A 117 6.426 -1.728 -7.195 1.00 0.00 C ATOM 228 C ARG A 117 6.185 -0.223 -7.123 1.00 0.00 C ATOM 229 O ARG A 117 7.021 0.572 -7.554 1.00 0.00 O ATOM 230 CB ARG A 117 7.444 -2.144 -6.131 1.00 0.00 C ATOM 231 CG ARG A 117 8.792 -1.457 -6.276 1.00 0.00 C ATOM 232 CD ARG A 117 9.851 -2.120 -5.410 1.00 0.00 C ATOM 233 NE ARG A 117 10.507 -3.228 -6.099 1.00 0.00 N ATOM 234 CZ ARG A 117 11.641 -3.782 -5.685 1.00 0.00 C ATOM 235 NH1 ARG A 117 12.241 -3.335 -4.590 1.00 0.00 N ATOM 236 NH2 ARG A 117 12.178 -4.787 -6.366 1.00 0.00 N ATOM 0 H ARG A 117 7.892 -2.311 -8.576 1.00 0.00 H new ATOM 0 HA ARG A 117 5.483 -2.240 -7.005 1.00 0.00 H new ATOM 0 HB2 ARG A 117 7.037 -1.922 -5.144 1.00 0.00 H new ATOM 0 HB3 ARG A 117 7.589 -3.223 -6.181 1.00 0.00 H new ATOM 0 HG2 ARG A 117 9.105 -1.484 -7.320 1.00 0.00 H new ATOM 0 HG3 ARG A 117 8.698 -0.407 -5.998 1.00 0.00 H new ATOM 0 HD2 ARG A 117 10.598 -1.380 -5.120 1.00 0.00 H new ATOM 0 HD3 ARG A 117 9.391 -2.485 -4.492 1.00 0.00 H new ATOM 0 HE ARG A 117 10.071 -3.596 -6.944 1.00 0.00 H new ATOM 0 HH11 ARG A 117 11.832 -2.564 -4.063 1.00 0.00 H new ATOM 0 HH12 ARG A 117 13.112 -3.763 -4.275 1.00 0.00 H new ATOM 0 HH21 ARG A 117 11.720 -5.135 -7.208 1.00 0.00 H new ATOM 0 HH22 ARG A 117 13.049 -5.211 -6.047 1.00 0.00 H new ATOM 250 N CYS A 118 5.037 0.162 -6.576 1.00 0.00 N ATOM 251 CA CYS A 118 4.685 1.571 -6.447 1.00 0.00 C ATOM 252 C CYS A 118 5.121 2.119 -5.092 1.00 0.00 C ATOM 253 O CYS A 118 5.554 1.369 -4.216 1.00 0.00 O ATOM 254 CB CYS A 118 3.177 1.759 -6.625 1.00 0.00 C ATOM 255 SG CYS A 118 2.665 2.081 -8.344 1.00 0.00 S ATOM 0 H CYS A 118 4.334 -0.483 -6.215 1.00 0.00 H new ATOM 0 HA CYS A 118 5.208 2.124 -7.227 1.00 0.00 H new ATOM 0 HB2 CYS A 118 2.666 0.866 -6.266 1.00 0.00 H new ATOM 0 HB3 CYS A 118 2.849 2.588 -5.998 1.00 0.00 H new ATOM 260 N LEU A 119 5.003 3.432 -4.926 1.00 0.00 N ATOM 261 CA LEU A 119 5.384 4.082 -3.677 1.00 0.00 C ATOM 262 C LEU A 119 4.495 3.618 -2.528 1.00 0.00 C ATOM 263 O LEU A 119 3.304 3.370 -2.713 1.00 0.00 O ATOM 264 CB LEU A 119 5.297 5.602 -3.823 1.00 0.00 C ATOM 265 CG LEU A 119 6.579 6.309 -4.264 1.00 0.00 C ATOM 266 CD1 LEU A 119 7.394 5.412 -5.182 1.00 0.00 C ATOM 267 CD2 LEU A 119 6.251 7.625 -4.955 1.00 0.00 C ATOM 0 H LEU A 119 4.647 4.067 -5.640 1.00 0.00 H new ATOM 0 HA LEU A 119 6.413 3.803 -3.450 1.00 0.00 H new ATOM 0 HB2 LEU A 119 4.512 5.833 -4.543 1.00 0.00 H new ATOM 0 HB3 LEU A 119 4.985 6.021 -2.866 1.00 0.00 H new ATOM 0 HG LEU A 119 7.176 6.525 -3.378 1.00 0.00 H new ATOM 0 HD11 LEU A 119 8.303 5.932 -5.486 1.00 0.00 H new ATOM 0 HD12 LEU A 119 7.659 4.496 -4.654 1.00 0.00 H new ATOM 0 HD13 LEU A 119 6.805 5.164 -6.065 1.00 0.00 H new ATOM 0 HD21 LEU A 119 7.175 8.115 -5.262 1.00 0.00 H new ATOM 0 HD22 LEU A 119 5.634 7.431 -5.832 1.00 0.00 H new ATOM 0 HD23 LEU A 119 5.709 8.273 -4.266 1.00 0.00 H new ATOM 279 N ARG A 120 5.082 3.506 -1.341 1.00 0.00 N ATOM 280 CA ARG A 120 4.342 3.073 -0.161 1.00 0.00 C ATOM 281 C ARG A 120 3.041 3.856 -0.017 1.00 0.00 C ATOM 282 O ARG A 120 2.039 3.332 0.471 1.00 0.00 O ATOM 283 CB ARG A 120 5.197 3.248 1.096 1.00 0.00 C ATOM 284 CG ARG A 120 6.389 2.308 1.157 1.00 0.00 C ATOM 285 CD ARG A 120 7.425 2.786 2.163 1.00 0.00 C ATOM 286 NE ARG A 120 8.671 2.031 2.067 1.00 0.00 N ATOM 287 CZ ARG A 120 9.516 2.134 1.047 1.00 0.00 C ATOM 288 NH1 ARG A 120 9.250 2.957 0.042 1.00 0.00 N ATOM 289 NH2 ARG A 120 10.630 1.414 1.032 1.00 0.00 N ATOM 0 H ARG A 120 6.067 3.709 -1.171 1.00 0.00 H new ATOM 0 HA ARG A 120 4.099 2.018 -0.283 1.00 0.00 H new ATOM 0 HB2 ARG A 120 5.554 4.277 1.142 1.00 0.00 H new ATOM 0 HB3 ARG A 120 4.573 3.087 1.975 1.00 0.00 H new ATOM 0 HG2 ARG A 120 6.051 1.308 1.428 1.00 0.00 H new ATOM 0 HG3 ARG A 120 6.846 2.234 0.170 1.00 0.00 H new ATOM 0 HD2 ARG A 120 7.629 3.844 1.998 1.00 0.00 H new ATOM 0 HD3 ARG A 120 7.021 2.692 3.171 1.00 0.00 H new ATOM 0 HE ARG A 120 8.906 1.389 2.824 1.00 0.00 H new ATOM 0 HH11 ARG A 120 8.395 3.513 0.051 1.00 0.00 H new ATOM 0 HH12 ARG A 120 9.901 3.034 -0.740 1.00 0.00 H new ATOM 0 HH21 ARG A 120 10.838 0.781 1.804 1.00 0.00 H new ATOM 0 HH22 ARG A 120 11.278 1.494 0.248 1.00 0.00 H new ATOM 303 N ASP A 121 3.063 5.114 -0.445 1.00 0.00 N ATOM 304 CA ASP A 121 1.885 5.970 -0.365 1.00 0.00 C ATOM 305 C ASP A 121 0.772 5.448 -1.267 1.00 0.00 C ATOM 306 O ASP A 121 -0.372 5.302 -0.837 1.00 0.00 O ATOM 307 CB ASP A 121 2.244 7.405 -0.754 1.00 0.00 C ATOM 308 CG ASP A 121 3.599 7.828 -0.220 1.00 0.00 C ATOM 309 OD1 ASP A 121 3.925 7.462 0.928 1.00 0.00 O ATOM 310 OD2 ASP A 121 4.332 8.525 -0.952 1.00 0.00 O ATOM 0 H ASP A 121 3.884 5.563 -0.851 1.00 0.00 H new ATOM 0 HA ASP A 121 1.528 5.960 0.665 1.00 0.00 H new ATOM 0 HB2 ASP A 121 2.240 7.496 -1.840 1.00 0.00 H new ATOM 0 HB3 ASP A 121 1.479 8.083 -0.375 1.00 0.00 H new ATOM 315 N SER A 122 1.115 5.170 -2.521 1.00 0.00 N ATOM 316 CA SER A 122 0.143 4.669 -3.486 1.00 0.00 C ATOM 317 C SER A 122 -0.155 3.193 -3.241 1.00 0.00 C ATOM 318 O SER A 122 0.699 2.331 -3.449 1.00 0.00 O ATOM 319 CB SER A 122 0.661 4.866 -4.912 1.00 0.00 C ATOM 320 OG SER A 122 1.099 6.199 -5.116 1.00 0.00 O ATOM 0 H SER A 122 2.058 5.283 -2.892 1.00 0.00 H new ATOM 0 HA SER A 122 -0.781 5.234 -3.361 1.00 0.00 H new ATOM 0 HB2 SER A 122 1.484 4.176 -5.102 1.00 0.00 H new ATOM 0 HB3 SER A 122 -0.128 4.626 -5.625 1.00 0.00 H new ATOM 0 HG SER A 122 1.427 6.299 -6.034 1.00 0.00 H new ATOM 326 N THR A 123 -1.375 2.908 -2.796 1.00 0.00 N ATOM 327 CA THR A 123 -1.788 1.538 -2.520 1.00 0.00 C ATOM 328 C THR A 123 -2.928 1.112 -3.438 1.00 0.00 C ATOM 329 O THR A 123 -3.420 -0.013 -3.352 1.00 0.00 O ATOM 330 CB THR A 123 -2.232 1.369 -1.055 1.00 0.00 C ATOM 331 OG1 THR A 123 -3.029 2.488 -0.653 1.00 0.00 O ATOM 332 CG2 THR A 123 -1.027 1.241 -0.136 1.00 0.00 C ATOM 0 H THR A 123 -2.095 3.609 -2.619 1.00 0.00 H new ATOM 0 HA THR A 123 -0.921 0.903 -2.704 1.00 0.00 H new ATOM 0 HB THR A 123 -2.824 0.457 -0.980 1.00 0.00 H new ATOM 0 HG1 THR A 123 -3.309 2.372 0.279 1.00 0.00 H new ATOM 0 HG21 THR A 123 -1.365 1.123 0.893 1.00 0.00 H new ATOM 0 HG22 THR A 123 -0.438 0.371 -0.427 1.00 0.00 H new ATOM 0 HG23 THR A 123 -0.412 2.138 -0.215 1.00 0.00 H new ATOM 340 N HIS A 124 -3.344 2.018 -4.317 1.00 0.00 N ATOM 341 CA HIS A 124 -4.427 1.735 -5.253 1.00 0.00 C ATOM 342 C HIS A 124 -3.911 1.708 -6.688 1.00 0.00 C ATOM 343 O HIS A 124 -2.991 2.445 -7.043 1.00 0.00 O ATOM 344 CB HIS A 124 -5.534 2.781 -5.116 1.00 0.00 C ATOM 345 CG HIS A 124 -6.558 2.437 -4.079 1.00 0.00 C ATOM 346 ND1 HIS A 124 -6.255 1.758 -2.918 1.00 0.00 N ATOM 347 CD2 HIS A 124 -7.888 2.683 -4.032 1.00 0.00 C ATOM 348 CE1 HIS A 124 -7.354 1.600 -2.202 1.00 0.00 C ATOM 349 NE2 HIS A 124 -8.360 2.153 -2.857 1.00 0.00 N ATOM 0 H HIS A 124 -2.948 2.954 -4.401 1.00 0.00 H new ATOM 0 HA HIS A 124 -4.834 0.753 -5.013 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.085 3.742 -4.867 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -6.030 2.901 -6.079 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -8.470 3.200 -4.780 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -7.419 1.104 -1.245 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -9.329 2.181 -2.541 1.00 0.00 H new ATOM 357 N CYS A 125 -4.510 0.852 -7.510 1.00 0.00 N ATOM 358 CA CYS A 125 -4.111 0.727 -8.907 1.00 0.00 C ATOM 359 C CYS A 125 -5.015 1.563 -9.808 1.00 0.00 C ATOM 360 O CYS A 125 -6.237 1.556 -9.657 1.00 0.00 O ATOM 361 CB CYS A 125 -4.154 -0.739 -9.342 1.00 0.00 C ATOM 362 SG CYS A 125 -2.575 -1.624 -9.130 1.00 0.00 S ATOM 0 H CYS A 125 -5.273 0.235 -7.233 1.00 0.00 H new ATOM 0 HA CYS A 125 -3.090 1.098 -9.002 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -4.926 -1.254 -8.771 1.00 0.00 H new ATOM 0 HB3 CYS A 125 -4.447 -0.787 -10.391 1.00 0.00 H new ATOM 367 N VAL A 126 -4.406 2.282 -10.746 1.00 0.00 N ATOM 368 CA VAL A 126 -5.155 3.122 -11.672 1.00 0.00 C ATOM 369 C VAL A 126 -4.854 2.748 -13.119 1.00 0.00 C ATOM 370 O VAL A 126 -3.742 2.331 -13.446 1.00 0.00 O ATOM 371 CB VAL A 126 -4.836 4.614 -11.461 1.00 0.00 C ATOM 372 CG1 VAL A 126 -5.584 5.469 -12.472 1.00 0.00 C ATOM 373 CG2 VAL A 126 -5.175 5.035 -10.039 1.00 0.00 C ATOM 0 H VAL A 126 -3.396 2.299 -10.884 1.00 0.00 H new ATOM 0 HA VAL A 126 -6.212 2.953 -11.468 1.00 0.00 H new ATOM 0 HB VAL A 126 -3.767 4.764 -11.615 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -5.346 6.520 -12.307 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -5.286 5.184 -13.481 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -6.657 5.317 -12.354 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -4.943 6.092 -9.907 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -6.237 4.870 -9.854 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -4.588 4.445 -9.335 1.00 0.00 H new ATOM 383 N THR A 127 -5.852 2.902 -13.985 1.00 0.00 N ATOM 384 CA THR A 127 -5.694 2.580 -15.397 1.00 0.00 C ATOM 385 C THR A 127 -6.400 3.606 -16.276 1.00 0.00 C ATOM 386 O THR A 127 -7.567 3.932 -16.055 1.00 0.00 O ATOM 387 CB THR A 127 -6.246 1.179 -15.720 1.00 0.00 C ATOM 388 OG1 THR A 127 -5.935 0.273 -14.655 1.00 0.00 O ATOM 389 CG2 THR A 127 -5.664 0.655 -17.024 1.00 0.00 C ATOM 0 H THR A 127 -6.778 3.248 -13.732 1.00 0.00 H new ATOM 0 HA THR A 127 -4.625 2.598 -15.607 1.00 0.00 H new ATOM 0 HB THR A 127 -7.328 1.255 -15.828 1.00 0.00 H new ATOM 0 HG1 THR A 127 -6.701 -0.316 -14.492 1.00 0.00 H new ATOM 0 HG21 THR A 127 -6.069 -0.336 -17.231 1.00 0.00 H new ATOM 0 HG22 THR A 127 -5.927 1.331 -17.837 1.00 0.00 H new ATOM 0 HG23 THR A 127 -4.579 0.593 -16.939 1.00 0.00 H new ATOM 397 N THR A 128 -5.685 4.114 -17.276 1.00 0.00 N ATOM 398 CA THR A 128 -6.243 5.103 -18.189 1.00 0.00 C ATOM 399 C THR A 128 -5.996 4.713 -19.642 1.00 0.00 C ATOM 400 O THR A 128 -4.984 4.091 -19.964 1.00 0.00 O ATOM 401 CB THR A 128 -5.645 6.500 -17.937 1.00 0.00 C ATOM 402 OG1 THR A 128 -4.302 6.555 -18.429 1.00 0.00 O ATOM 403 CG2 THR A 128 -5.661 6.835 -16.453 1.00 0.00 C ATOM 0 H THR A 128 -4.718 3.856 -17.473 1.00 0.00 H new ATOM 0 HA THR A 128 -7.316 5.135 -18.002 1.00 0.00 H new ATOM 0 HB THR A 128 -6.255 7.233 -18.466 1.00 0.00 H new ATOM 0 HG1 THR A 128 -3.800 5.782 -18.097 1.00 0.00 H new ATOM 0 HG21 THR A 128 -5.234 7.826 -16.299 1.00 0.00 H new ATOM 0 HG22 THR A 128 -6.688 6.822 -16.088 1.00 0.00 H new ATOM 0 HG23 THR A 128 -5.072 6.098 -15.907 1.00 0.00 H new ATOM 411 N ALA A 129 -6.928 5.081 -20.515 1.00 0.00 N ATOM 412 CA ALA A 129 -6.809 4.771 -21.935 1.00 0.00 C ATOM 413 C ALA A 129 -7.418 5.876 -22.791 1.00 0.00 C ATOM 414 O ALA A 129 -8.561 6.283 -22.578 1.00 0.00 O ATOM 415 CB ALA A 129 -7.473 3.437 -22.241 1.00 0.00 C ATOM 0 H ALA A 129 -7.773 5.594 -20.264 1.00 0.00 H new ATOM 0 HA ALA A 129 -5.749 4.701 -22.179 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -7.377 3.218 -23.304 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -6.990 2.649 -21.663 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -8.529 3.487 -21.975 1.00 0.00 H new ATOM 421 N THR A 130 -6.648 6.361 -23.760 1.00 0.00 N ATOM 422 CA THR A 130 -7.111 7.420 -24.647 1.00 0.00 C ATOM 423 C THR A 130 -6.244 7.509 -25.898 1.00 0.00 C ATOM 424 O THR A 130 -5.072 7.131 -25.880 1.00 0.00 O ATOM 425 CB THR A 130 -7.109 8.788 -23.938 1.00 0.00 C ATOM 426 OG1 THR A 130 -6.082 8.821 -22.941 1.00 0.00 O ATOM 427 CG2 THR A 130 -8.459 9.064 -23.292 1.00 0.00 C ATOM 0 H THR A 130 -5.700 6.036 -23.950 1.00 0.00 H new ATOM 0 HA THR A 130 -8.132 7.168 -24.933 1.00 0.00 H new ATOM 0 HB THR A 130 -6.916 9.559 -24.684 1.00 0.00 H new ATOM 0 HG1 THR A 130 -6.086 9.694 -22.496 1.00 0.00 H new ATOM 0 HG21 THR A 130 -8.434 10.035 -22.797 1.00 0.00 H new ATOM 0 HG22 THR A 130 -9.235 9.066 -24.057 1.00 0.00 H new ATOM 0 HG23 THR A 130 -8.676 8.288 -22.558 1.00 0.00 H new ATOM 579 N PRO A 140 -4.350 3.265 -29.619 1.00 0.00 N ATOM 580 CA PRO A 140 -4.882 3.841 -28.380 1.00 0.00 C ATOM 581 C PRO A 140 -3.862 3.819 -27.247 1.00 0.00 C ATOM 582 O PRO A 140 -3.355 2.760 -26.874 1.00 0.00 O ATOM 583 CB PRO A 140 -6.069 2.934 -28.048 1.00 0.00 C ATOM 584 CG PRO A 140 -5.747 1.634 -28.700 1.00 0.00 C ATOM 585 CD PRO A 140 -4.980 1.975 -29.948 1.00 0.00 C ATOM 0 HA PRO A 140 -5.151 4.890 -28.501 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -6.189 2.818 -26.971 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -7.002 3.348 -28.430 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -5.155 1.002 -28.038 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -6.656 1.082 -28.939 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -4.237 1.213 -30.184 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -5.637 2.058 -30.814 1.00 0.00 H new ATOM 593 N LEU A 141 -3.565 4.994 -26.702 1.00 0.00 N ATOM 594 CA LEU A 141 -2.605 5.110 -25.610 1.00 0.00 C ATOM 595 C LEU A 141 -3.206 4.606 -24.301 1.00 0.00 C ATOM 596 O LEU A 141 -4.373 4.859 -24.003 1.00 0.00 O ATOM 597 CB LEU A 141 -2.156 6.564 -25.451 1.00 0.00 C ATOM 598 CG LEU A 141 -0.731 6.774 -24.940 1.00 0.00 C ATOM 599 CD1 LEU A 141 -0.597 6.274 -23.510 1.00 0.00 C ATOM 600 CD2 LEU A 141 0.270 6.073 -25.847 1.00 0.00 C ATOM 0 H LEU A 141 -3.975 5.880 -26.999 1.00 0.00 H new ATOM 0 HA LEU A 141 -1.740 4.493 -25.853 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -2.251 7.060 -26.417 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.843 7.063 -24.767 1.00 0.00 H new ATOM 0 HG LEU A 141 -0.516 7.843 -24.951 1.00 0.00 H new ATOM 0 HD11 LEU A 141 0.424 6.432 -23.164 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -1.287 6.821 -22.867 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -0.832 5.210 -23.473 1.00 0.00 H new ATOM 0 HD21 LEU A 141 1.279 6.233 -25.468 1.00 0.00 H new ATOM 0 HD22 LEU A 141 0.056 5.004 -25.868 1.00 0.00 H new ATOM 0 HD23 LEU A 141 0.193 6.478 -26.856 1.00 0.00 H new ATOM 612 N VAL A 142 -2.399 3.892 -23.522 1.00 0.00 N ATOM 613 CA VAL A 142 -2.850 3.354 -22.244 1.00 0.00 C ATOM 614 C VAL A 142 -1.816 3.599 -21.150 1.00 0.00 C ATOM 615 O VAL A 142 -0.798 2.910 -21.077 1.00 0.00 O ATOM 616 CB VAL A 142 -3.133 1.844 -22.339 1.00 0.00 C ATOM 617 CG1 VAL A 142 -3.753 1.334 -21.046 1.00 0.00 C ATOM 618 CG2 VAL A 142 -4.036 1.545 -23.526 1.00 0.00 C ATOM 0 H VAL A 142 -1.430 3.673 -23.754 1.00 0.00 H new ATOM 0 HA VAL A 142 -3.774 3.873 -21.990 1.00 0.00 H new ATOM 0 HB VAL A 142 -2.187 1.324 -22.491 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -3.946 0.265 -21.132 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -3.067 1.513 -20.218 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -4.691 1.858 -20.861 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -4.226 0.473 -23.578 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -4.981 2.075 -23.407 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -3.549 1.872 -24.445 1.00 0.00 H new ATOM 628 N THR A 143 -2.085 4.585 -20.299 1.00 0.00 N ATOM 629 CA THR A 143 -1.178 4.921 -19.209 1.00 0.00 C ATOM 630 C THR A 143 -1.633 4.286 -17.900 1.00 0.00 C ATOM 631 O THR A 143 -2.791 4.418 -17.503 1.00 0.00 O ATOM 632 CB THR A 143 -1.072 6.446 -19.017 1.00 0.00 C ATOM 633 OG1 THR A 143 -0.804 7.080 -20.273 1.00 0.00 O ATOM 634 CG2 THR A 143 0.028 6.791 -18.024 1.00 0.00 C ATOM 0 H THR A 143 -2.923 5.164 -20.344 1.00 0.00 H new ATOM 0 HA THR A 143 -0.198 4.527 -19.480 1.00 0.00 H new ATOM 0 HB THR A 143 -2.022 6.808 -18.623 1.00 0.00 H new ATOM 0 HG1 THR A 143 -0.201 6.517 -20.802 1.00 0.00 H new ATOM 0 HG21 THR A 143 0.084 7.873 -17.905 1.00 0.00 H new ATOM 0 HG22 THR A 143 -0.194 6.331 -17.061 1.00 0.00 H new ATOM 0 HG23 THR A 143 0.983 6.417 -18.394 1.00 0.00 H new ATOM 642 N LYS A 144 -0.714 3.597 -17.231 1.00 0.00 N ATOM 643 CA LYS A 144 -1.019 2.943 -15.965 1.00 0.00 C ATOM 644 C LYS A 144 -0.160 3.509 -14.839 1.00 0.00 C ATOM 645 O LYS A 144 1.020 3.798 -15.031 1.00 0.00 O ATOM 646 CB LYS A 144 -0.797 1.433 -16.080 1.00 0.00 C ATOM 647 CG LYS A 144 -1.857 0.723 -16.904 1.00 0.00 C ATOM 648 CD LYS A 144 -1.469 0.655 -18.372 1.00 0.00 C ATOM 649 CE LYS A 144 -2.027 -0.594 -19.038 1.00 0.00 C ATOM 650 NZ LYS A 144 -3.460 -0.812 -18.696 1.00 0.00 N ATOM 0 H LYS A 144 0.249 3.478 -17.546 1.00 0.00 H new ATOM 0 HA LYS A 144 -2.066 3.133 -15.730 1.00 0.00 H new ATOM 0 HB2 LYS A 144 0.181 1.251 -16.527 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -0.776 1.000 -15.080 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -2.004 -0.286 -16.518 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -2.809 1.245 -16.802 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -1.839 1.541 -18.889 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -0.383 0.663 -18.463 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -1.921 -0.507 -20.119 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -1.444 -1.462 -18.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -3.872 -1.507 -19.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -3.534 -1.169 -17.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -3.977 0.087 -18.775 1.00 0.00 H new ATOM 664 N MET A 145 -0.761 3.664 -13.663 1.00 0.00 N ATOM 665 CA MET A 145 -0.049 4.194 -12.506 1.00 0.00 C ATOM 666 C MET A 145 -0.836 3.946 -11.223 1.00 0.00 C ATOM 667 O MET A 145 -1.928 3.376 -11.253 1.00 0.00 O ATOM 668 CB MET A 145 0.206 5.692 -12.679 1.00 0.00 C ATOM 669 CG MET A 145 -0.955 6.563 -12.227 1.00 0.00 C ATOM 670 SD MET A 145 -2.417 6.364 -13.264 1.00 0.00 S ATOM 671 CE MET A 145 -1.718 6.638 -14.890 1.00 0.00 C ATOM 0 H MET A 145 -1.738 3.430 -13.487 1.00 0.00 H new ATOM 0 HA MET A 145 0.907 3.676 -12.431 1.00 0.00 H new ATOM 0 HB2 MET A 145 1.097 5.968 -12.115 1.00 0.00 H new ATOM 0 HB3 MET A 145 0.416 5.897 -13.729 1.00 0.00 H new ATOM 0 HG2 MET A 145 -1.209 6.317 -11.196 1.00 0.00 H new ATOM 0 HG3 MET A 145 -0.646 7.608 -12.238 1.00 0.00 H new ATOM 0 HE1 MET A 145 -2.403 7.243 -15.483 1.00 0.00 H new ATOM 0 HE2 MET A 145 -0.765 7.158 -14.793 1.00 0.00 H new ATOM 0 HE3 MET A 145 -1.559 5.679 -15.384 1.00 0.00 H new ATOM 681 N CYS A 146 -0.276 4.376 -10.098 1.00 0.00 N ATOM 682 CA CYS A 146 -0.924 4.199 -8.804 1.00 0.00 C ATOM 683 C CYS A 146 -1.242 5.549 -8.166 1.00 0.00 C ATOM 684 O CYS A 146 -0.774 6.591 -8.626 1.00 0.00 O ATOM 685 CB CYS A 146 -0.032 3.380 -7.870 1.00 0.00 C ATOM 686 SG CYS A 146 0.782 1.962 -8.674 1.00 0.00 S ATOM 0 H CYS A 146 0.626 4.850 -10.056 1.00 0.00 H new ATOM 0 HA CYS A 146 -1.859 3.662 -8.965 1.00 0.00 H new ATOM 0 HB2 CYS A 146 0.732 4.033 -7.449 1.00 0.00 H new ATOM 0 HB3 CYS A 146 -0.634 3.016 -7.037 1.00 0.00 H new ATOM 691 N HIS A 147 -2.041 5.522 -7.104 1.00 0.00 N ATOM 692 CA HIS A 147 -2.422 6.742 -6.403 1.00 0.00 C ATOM 693 C HIS A 147 -3.047 6.419 -5.049 1.00 0.00 C ATOM 694 O HIS A 147 -3.413 5.273 -4.782 1.00 0.00 O ATOM 695 CB HIS A 147 -3.401 7.558 -7.248 1.00 0.00 C ATOM 696 CG HIS A 147 -3.288 9.036 -7.036 1.00 0.00 C ATOM 697 ND1 HIS A 147 -2.449 9.841 -7.778 1.00 0.00 N ATOM 698 CD2 HIS A 147 -3.915 9.856 -6.160 1.00 0.00 C ATOM 699 CE1 HIS A 147 -2.564 11.091 -7.367 1.00 0.00 C ATOM 700 NE2 HIS A 147 -3.448 11.127 -6.386 1.00 0.00 N ATOM 0 H HIS A 147 -2.437 4.668 -6.710 1.00 0.00 H new ATOM 0 HA HIS A 147 -1.520 7.331 -6.236 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -3.231 7.336 -8.302 1.00 0.00 H new ATOM 0 HB3 HIS A 147 -4.418 7.243 -7.016 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -4.647 9.564 -5.421 1.00 0.00 H new ATOM 0 HE1 HIS A 147 -2.027 11.939 -7.765 1.00 0.00 H new ATOM 0 HE2 HIS A 147 -3.737 11.963 -5.879 1.00 0.00 H new ATOM 708 N ILE A 148 -3.166 7.433 -4.200 1.00 0.00 N ATOM 709 CA ILE A 148 -3.748 7.256 -2.875 1.00 0.00 C ATOM 710 C ILE A 148 -5.251 7.510 -2.896 1.00 0.00 C ATOM 711 O ILE A 148 -5.746 8.424 -2.237 1.00 0.00 O ATOM 712 CB ILE A 148 -3.094 8.194 -1.843 1.00 0.00 C ATOM 713 CG1 ILE A 148 -1.570 8.154 -1.978 1.00 0.00 C ATOM 714 CG2 ILE A 148 -3.516 7.807 -0.434 1.00 0.00 C ATOM 715 CD1 ILE A 148 -0.850 9.000 -0.952 1.00 0.00 C ATOM 0 H ILE A 148 -2.867 8.386 -4.406 1.00 0.00 H new ATOM 0 HA ILE A 148 -3.561 6.222 -2.584 1.00 0.00 H new ATOM 0 HB ILE A 148 -3.430 9.213 -2.036 1.00 0.00 H new ATOM 0 HG12 ILE A 148 -1.232 7.122 -1.887 1.00 0.00 H new ATOM 0 HG13 ILE A 148 -1.293 8.493 -2.976 1.00 0.00 H new ATOM 0 HG21 ILE A 148 -3.046 8.479 0.284 1.00 0.00 H new ATOM 0 HG22 ILE A 148 -4.600 7.882 -0.345 1.00 0.00 H new ATOM 0 HG23 ILE A 148 -3.205 6.782 -0.230 1.00 0.00 H new ATOM 0 HD11 ILE A 148 0.226 8.924 -1.108 1.00 0.00 H new ATOM 0 HD12 ILE A 148 -1.159 10.040 -1.057 1.00 0.00 H new ATOM 0 HD13 ILE A 148 -1.097 8.647 0.049 1.00 0.00 H new ATOM 727 N GLY A 149 -5.974 6.693 -3.657 1.00 0.00 N ATOM 728 CA GLY A 149 -7.414 6.845 -3.748 1.00 0.00 C ATOM 729 C GLY A 149 -7.933 6.621 -5.154 1.00 0.00 C ATOM 730 O GLY A 149 -9.142 6.624 -5.386 1.00 0.00 O ATOM 0 H GLY A 149 -5.588 5.929 -4.212 1.00 0.00 H new ATOM 0 HA2 GLY A 149 -7.894 6.139 -3.070 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -7.692 7.845 -3.416 1.00 0.00 H new ATOM 734 N CYS A 150 -7.016 6.428 -6.097 1.00 0.00 N ATOM 735 CA CYS A 150 -7.387 6.204 -7.490 1.00 0.00 C ATOM 736 C CYS A 150 -8.352 7.281 -7.976 1.00 0.00 C ATOM 737 O CYS A 150 -9.560 7.065 -8.081 1.00 0.00 O ATOM 738 CB CYS A 150 -8.022 4.822 -7.654 1.00 0.00 C ATOM 739 SG CYS A 150 -8.373 4.366 -9.382 1.00 0.00 S ATOM 0 H CYS A 150 -6.011 6.422 -5.922 1.00 0.00 H new ATOM 0 HA CYS A 150 -6.481 6.254 -8.094 1.00 0.00 H new ATOM 0 HB2 CYS A 150 -7.358 4.075 -7.220 1.00 0.00 H new ATOM 0 HB3 CYS A 150 -8.951 4.791 -7.085 1.00 0.00 H new ATOM 917 N SER A 163 -12.186 6.784 -20.419 1.00 0.00 N ATOM 918 CA SER A 163 -11.878 5.385 -20.145 1.00 0.00 C ATOM 919 C SER A 163 -10.915 5.262 -18.968 1.00 0.00 C ATOM 920 O SER A 163 -9.706 5.438 -19.121 1.00 0.00 O ATOM 921 CB SER A 163 -11.274 4.721 -21.384 1.00 0.00 C ATOM 922 OG SER A 163 -12.257 4.524 -22.386 1.00 0.00 O ATOM 0 HA SER A 163 -12.808 4.878 -19.887 1.00 0.00 H new ATOM 0 HB2 SER A 163 -10.469 5.341 -21.777 1.00 0.00 H new ATOM 0 HB3 SER A 163 -10.833 3.763 -21.109 1.00 0.00 H new ATOM 0 HG SER A 163 -11.846 4.100 -23.168 1.00 0.00 H new ATOM 928 N ILE A 164 -11.460 4.959 -17.795 1.00 0.00 N ATOM 929 CA ILE A 164 -10.650 4.811 -16.592 1.00 0.00 C ATOM 930 C ILE A 164 -11.041 3.558 -15.816 1.00 0.00 C ATOM 931 O ILE A 164 -12.222 3.233 -15.697 1.00 0.00 O ATOM 932 CB ILE A 164 -10.785 6.036 -15.668 1.00 0.00 C ATOM 933 CG1 ILE A 164 -10.410 7.314 -16.422 1.00 0.00 C ATOM 934 CG2 ILE A 164 -9.912 5.867 -14.434 1.00 0.00 C ATOM 935 CD1 ILE A 164 -10.813 8.581 -15.700 1.00 0.00 C ATOM 0 H ILE A 164 -12.459 4.811 -17.652 1.00 0.00 H new ATOM 0 HA ILE A 164 -9.614 4.725 -16.919 1.00 0.00 H new ATOM 0 HB ILE A 164 -11.823 6.118 -15.346 1.00 0.00 H new ATOM 0 HG12 ILE A 164 -9.333 7.326 -16.587 1.00 0.00 H new ATOM 0 HG13 ILE A 164 -10.883 7.299 -17.404 1.00 0.00 H new ATOM 0 HG21 ILE A 164 -10.018 6.741 -13.791 1.00 0.00 H new ATOM 0 HG22 ILE A 164 -10.221 4.975 -13.889 1.00 0.00 H new ATOM 0 HG23 ILE A 164 -8.870 5.764 -14.737 1.00 0.00 H new ATOM 0 HD11 ILE A 164 -10.516 9.447 -16.292 1.00 0.00 H new ATOM 0 HD12 ILE A 164 -11.894 8.591 -15.559 1.00 0.00 H new ATOM 0 HD13 ILE A 164 -10.320 8.619 -14.729 1.00 0.00 H new ATOM 947 N ALA A 165 -10.042 2.859 -15.289 1.00 0.00 N ATOM 948 CA ALA A 165 -10.281 1.643 -14.521 1.00 0.00 C ATOM 949 C ALA A 165 -9.697 1.757 -13.117 1.00 0.00 C ATOM 950 O ALA A 165 -8.482 1.867 -12.946 1.00 0.00 O ATOM 951 CB ALA A 165 -9.696 0.439 -15.243 1.00 0.00 C ATOM 0 H ALA A 165 -9.059 3.114 -15.380 1.00 0.00 H new ATOM 0 HA ALA A 165 -11.358 1.507 -14.428 1.00 0.00 H new ATOM 0 HB1 ALA A 165 -9.882 -0.462 -14.658 1.00 0.00 H new ATOM 0 HB2 ALA A 165 -10.164 0.339 -16.222 1.00 0.00 H new ATOM 0 HB3 ALA A 165 -8.622 0.576 -15.367 1.00 0.00 H new ATOM 957 N CYS A 166 -10.568 1.729 -12.115 1.00 0.00 N ATOM 958 CA CYS A 166 -10.139 1.830 -10.725 1.00 0.00 C ATOM 959 C CYS A 166 -10.355 0.509 -9.992 1.00 0.00 C ATOM 960 O CYS A 166 -11.442 -0.068 -10.036 1.00 0.00 O ATOM 961 CB CYS A 166 -10.901 2.951 -10.014 1.00 0.00 C ATOM 962 SG CYS A 166 -10.080 4.575 -10.097 1.00 0.00 S ATOM 0 H CYS A 166 -11.576 1.637 -12.239 1.00 0.00 H new ATOM 0 HA CYS A 166 -9.074 2.061 -10.715 1.00 0.00 H new ATOM 0 HB2 CYS A 166 -11.895 3.035 -10.453 1.00 0.00 H new ATOM 0 HB3 CYS A 166 -11.037 2.677 -8.968 1.00 0.00 H new ATOM 967 N CYS A 167 -9.313 0.036 -9.317 1.00 0.00 N ATOM 968 CA CYS A 167 -9.387 -1.217 -8.575 1.00 0.00 C ATOM 969 C CYS A 167 -8.274 -1.298 -7.534 1.00 0.00 C ATOM 970 O CYS A 167 -7.147 -0.870 -7.781 1.00 0.00 O ATOM 971 CB CYS A 167 -9.294 -2.407 -9.531 1.00 0.00 C ATOM 972 SG CYS A 167 -8.235 -2.113 -10.984 1.00 0.00 S ATOM 0 H CYS A 167 -8.407 0.502 -9.268 1.00 0.00 H new ATOM 0 HA CYS A 167 -10.347 -1.249 -8.059 1.00 0.00 H new ATOM 0 HB2 CYS A 167 -8.912 -3.269 -8.985 1.00 0.00 H new ATOM 0 HB3 CYS A 167 -10.297 -2.665 -9.872 1.00 0.00 H new ATOM 977 N GLN A 168 -8.599 -1.851 -6.370 1.00 0.00 N ATOM 978 CA GLN A 168 -7.628 -1.988 -5.291 1.00 0.00 C ATOM 979 C GLN A 168 -6.911 -3.332 -5.371 1.00 0.00 C ATOM 980 O GLN A 168 -6.689 -3.991 -4.355 1.00 0.00 O ATOM 981 CB GLN A 168 -8.317 -1.844 -3.933 1.00 0.00 C ATOM 982 CG GLN A 168 -9.469 -2.815 -3.730 1.00 0.00 C ATOM 983 CD GLN A 168 -9.798 -3.033 -2.267 1.00 0.00 C ATOM 984 OE1 GLN A 168 -8.975 -2.771 -1.388 1.00 0.00 O ATOM 985 NE2 GLN A 168 -11.005 -3.515 -1.996 1.00 0.00 N ATOM 0 H GLN A 168 -9.527 -2.211 -6.150 1.00 0.00 H new ATOM 0 HA GLN A 168 -6.888 -1.195 -5.400 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -7.581 -1.996 -3.143 1.00 0.00 H new ATOM 0 HB3 GLN A 168 -8.689 -0.825 -3.830 1.00 0.00 H new ATOM 0 HG2 GLN A 168 -10.352 -2.437 -4.245 1.00 0.00 H new ATOM 0 HG3 GLN A 168 -9.218 -3.772 -4.188 1.00 0.00 H new ATOM 0 HE21 GLN A 168 -11.655 -3.718 -2.755 1.00 0.00 H new ATOM 0 HE22 GLN A 168 -11.282 -3.682 -1.029 1.00 0.00 H new ATOM 994 N THR A 169 -6.552 -3.734 -6.587 1.00 0.00 N ATOM 995 CA THR A 169 -5.862 -5.000 -6.800 1.00 0.00 C ATOM 996 C THR A 169 -4.533 -4.788 -7.517 1.00 0.00 C ATOM 997 O THR A 169 -4.431 -3.960 -8.422 1.00 0.00 O ATOM 998 CB THR A 169 -6.724 -5.978 -7.619 1.00 0.00 C ATOM 999 OG1 THR A 169 -7.659 -5.252 -8.424 1.00 0.00 O ATOM 1000 CG2 THR A 169 -7.472 -6.937 -6.704 1.00 0.00 C ATOM 0 H THR A 169 -6.728 -3.201 -7.439 1.00 0.00 H new ATOM 0 HA THR A 169 -5.676 -5.428 -5.815 1.00 0.00 H new ATOM 0 HB THR A 169 -6.063 -6.557 -8.264 1.00 0.00 H new ATOM 0 HG1 THR A 169 -8.202 -5.882 -8.943 1.00 0.00 H new ATOM 0 HG21 THR A 169 -8.074 -7.618 -7.305 1.00 0.00 H new ATOM 0 HG22 THR A 169 -6.756 -7.510 -6.114 1.00 0.00 H new ATOM 0 HG23 THR A 169 -8.122 -6.371 -6.037 1.00 0.00 H new ATOM 1008 N SER A 170 -3.518 -5.541 -7.107 1.00 0.00 N ATOM 1009 CA SER A 170 -2.194 -5.434 -7.709 1.00 0.00 C ATOM 1010 C SER A 170 -2.242 -5.784 -9.193 1.00 0.00 C ATOM 1011 O SER A 170 -2.842 -6.786 -9.587 1.00 0.00 O ATOM 1012 CB SER A 170 -1.206 -6.352 -6.988 1.00 0.00 C ATOM 1013 OG SER A 170 -1.543 -6.488 -5.618 1.00 0.00 O ATOM 0 H SER A 170 -3.587 -6.232 -6.360 1.00 0.00 H new ATOM 0 HA SER A 170 -1.859 -4.402 -7.608 1.00 0.00 H new ATOM 0 HB2 SER A 170 -1.202 -7.333 -7.464 1.00 0.00 H new ATOM 0 HB3 SER A 170 -0.197 -5.949 -7.079 1.00 0.00 H new ATOM 0 HG SER A 170 -0.897 -7.081 -5.180 1.00 0.00 H new ATOM 1019 N LEU A 171 -1.606 -4.954 -10.012 1.00 0.00 N ATOM 1020 CA LEU A 171 -1.575 -5.174 -11.453 1.00 0.00 C ATOM 1021 C LEU A 171 -2.980 -5.404 -12.000 1.00 0.00 C ATOM 1022 O LEU A 171 -3.179 -6.199 -12.919 1.00 0.00 O ATOM 1023 CB LEU A 171 -0.684 -6.373 -11.786 1.00 0.00 C ATOM 1024 CG LEU A 171 0.759 -6.296 -11.286 1.00 0.00 C ATOM 1025 CD1 LEU A 171 1.420 -7.663 -11.352 1.00 0.00 C ATOM 1026 CD2 LEU A 171 1.551 -5.279 -12.095 1.00 0.00 C ATOM 0 H LEU A 171 -1.104 -4.122 -9.702 1.00 0.00 H new ATOM 0 HA LEU A 171 -1.164 -4.281 -11.923 1.00 0.00 H new ATOM 0 HB2 LEU A 171 -1.144 -7.269 -11.370 1.00 0.00 H new ATOM 0 HB3 LEU A 171 -0.666 -6.497 -12.869 1.00 0.00 H new ATOM 0 HG LEU A 171 0.746 -5.971 -10.246 1.00 0.00 H new ATOM 0 HD11 LEU A 171 2.446 -7.589 -10.992 1.00 0.00 H new ATOM 0 HD12 LEU A 171 0.867 -8.365 -10.728 1.00 0.00 H new ATOM 0 HD13 LEU A 171 1.422 -8.017 -12.383 1.00 0.00 H new ATOM 0 HD21 LEU A 171 2.575 -5.238 -11.725 1.00 0.00 H new ATOM 0 HD22 LEU A 171 1.556 -5.573 -13.145 1.00 0.00 H new ATOM 0 HD23 LEU A 171 1.090 -4.296 -11.996 1.00 0.00 H new ATOM 1038 N CYS A 172 -3.953 -4.701 -11.430 1.00 0.00 N ATOM 1039 CA CYS A 172 -5.341 -4.825 -11.860 1.00 0.00 C ATOM 1040 C CYS A 172 -5.617 -3.936 -13.069 1.00 0.00 C ATOM 1041 O CYS A 172 -6.766 -3.609 -13.361 1.00 0.00 O ATOM 1042 CB CYS A 172 -6.287 -4.457 -10.715 1.00 0.00 C ATOM 1043 SG CYS A 172 -6.477 -2.664 -10.456 1.00 0.00 S ATOM 0 H CYS A 172 -3.806 -4.039 -10.668 1.00 0.00 H new ATOM 0 HA CYS A 172 -5.515 -5.862 -12.146 1.00 0.00 H new ATOM 0 HB2 CYS A 172 -7.267 -4.891 -10.914 1.00 0.00 H new ATOM 0 HB3 CYS A 172 -5.919 -4.910 -9.794 1.00 0.00 H new ATOM 1048 N ASN A 173 -4.555 -3.550 -13.768 1.00 0.00 N ATOM 1049 CA ASN A 173 -4.682 -2.699 -14.945 1.00 0.00 C ATOM 1050 C ASN A 173 -4.505 -3.510 -16.225 1.00 0.00 C ATOM 1051 O ASN A 173 -4.761 -3.019 -17.325 1.00 0.00 O ATOM 1052 CB ASN A 173 -3.652 -1.569 -14.897 1.00 0.00 C ATOM 1053 CG ASN A 173 -3.404 -1.071 -13.486 1.00 0.00 C ATOM 1054 OD1 ASN A 173 -4.303 -1.084 -12.645 1.00 0.00 O ATOM 1055 ND2 ASN A 173 -2.180 -0.630 -13.221 1.00 0.00 N ATOM 0 H ASN A 173 -3.596 -3.813 -13.540 1.00 0.00 H new ATOM 0 HA ASN A 173 -5.683 -2.269 -14.945 1.00 0.00 H new ATOM 0 HB2 ASN A 173 -2.713 -1.919 -15.326 1.00 0.00 H new ATOM 0 HB3 ASN A 173 -3.996 -0.741 -15.516 1.00 0.00 H new ATOM 0 HD21 ASN A 173 -1.954 -0.283 -12.289 1.00 0.00 H new ATOM 0 HD22 ASN A 173 -1.466 -0.638 -13.950 1.00 0.00 H new ATOM 1062 N HIS A 174 -4.066 -4.755 -16.073 1.00 0.00 N ATOM 1063 CA HIS A 174 -3.855 -5.636 -17.217 1.00 0.00 C ATOM 1064 C HIS A 174 -5.185 -6.153 -17.757 1.00 0.00 C ATOM 1065 O HIS A 174 -6.252 -5.765 -17.281 1.00 0.00 O ATOM 1066 CB HIS A 174 -2.960 -6.812 -16.824 1.00 0.00 C ATOM 1067 CG HIS A 174 -3.484 -7.603 -15.666 1.00 0.00 C ATOM 1068 ND1 HIS A 174 -2.738 -8.556 -15.006 1.00 0.00 N ATOM 1069 CD2 HIS A 174 -4.689 -7.577 -15.049 1.00 0.00 C ATOM 1070 CE1 HIS A 174 -3.461 -9.084 -14.034 1.00 0.00 C ATOM 1071 NE2 HIS A 174 -4.649 -8.507 -14.039 1.00 0.00 N ATOM 0 H HIS A 174 -3.849 -5.177 -15.170 1.00 0.00 H new ATOM 0 HA HIS A 174 -3.363 -5.061 -18.001 1.00 0.00 H new ATOM 0 HB2 HIS A 174 -2.845 -7.473 -17.683 1.00 0.00 H new ATOM 0 HB3 HIS A 174 -1.967 -6.436 -16.577 1.00 0.00 H new ATOM 0 HD2 HIS A 174 -5.526 -6.943 -15.304 1.00 0.00 H new ATOM 0 HE1 HIS A 174 -3.136 -9.856 -13.352 1.00 0.00 H new ATOM 0 HE2 HIS A 174 -5.413 -8.718 -13.397 1.00 0.00 H new ATOM 1079 N ASP A 175 -5.114 -7.029 -18.753 1.00 0.00 N ATOM 1080 CA ASP A 175 -6.312 -7.599 -19.358 1.00 0.00 C ATOM 1081 C ASP A 175 -7.151 -8.331 -18.315 1.00 0.00 C ATOM 1082 O ASP A 175 -8.141 -8.983 -18.648 1.00 0.00 O ATOM 1083 CB ASP A 175 -5.932 -8.556 -20.489 1.00 0.00 C ATOM 1084 CG ASP A 175 -5.346 -9.856 -19.975 1.00 0.00 C ATOM 1085 OD1 ASP A 175 -4.168 -9.852 -19.560 1.00 0.00 O ATOM 1086 OD2 ASP A 175 -6.065 -10.878 -19.988 1.00 0.00 O ATOM 0 H ASP A 175 -4.239 -7.360 -19.159 1.00 0.00 H new ATOM 0 HA ASP A 175 -6.906 -6.783 -19.768 1.00 0.00 H new ATOM 0 HB2 ASP A 175 -6.815 -8.772 -21.091 1.00 0.00 H new ATOM 0 HB3 ASP A 175 -5.210 -8.070 -21.145 1.00 0.00 H new