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 Single : A 100 MET CE :methyl -115:sc= -0.824 (180deg=-2.66!) USER MOD Single : A 104 HIS : no HD1:sc= -3.09! C(o=-3.1!,f=-8.6!) USER MOD Single : A 105 GLN : amide:sc= -0.297 X(o=-0.3,f=-0.098) 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 X(o=0,f=-0.0037) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 170:sc= 0 USER MOD Single : A 123 THR OG1 : rot -38:sc= 0.274 USER MOD Single : A 124 HIS : no HD1:sc= -3.07 K(o=-3.1,f=-1.9) USER MOD Single : A 127 THR OG1 : rot 123:sc= -1.02 USER MOD Single : A 128 THR OG1 : rot -49:sc= 0.438 USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 THR OG1 : rot -11:sc= 0.902 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl -143:sc= -4.35! (180deg=-5.63!) USER MOD Single : A 147 HIS : no HD1:sc= -0.0637 K(o=-0.064,f=-0.77) USER MOD Single : A 163 SER OG : rot 67:sc= 0.967 USER MOD Single : A 168 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 169 THR OG1 : rot 180:sc= -1.54 USER MOD Single : A 170 SER OG : rot 180:sc= 0 USER MOD Single : A 173 ASN : amide:sc= -0.851 K(o=-0.85,f=-5.3!) USER MOD Single : A 174 HIS : no HD1:sc= -1.5 K(o=-1.5,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 100 1.883 0.373 -1.218 1.00 0.00 N ATOM 2 CA MET A 100 3.201 0.028 -1.736 1.00 0.00 C ATOM 3 C MET A 100 3.177 -1.337 -2.418 1.00 0.00 C ATOM 4 O MET A 100 4.113 -2.125 -2.281 1.00 0.00 O ATOM 5 CB MET A 100 4.233 0.028 -0.606 1.00 0.00 C ATOM 6 CG MET A 100 3.718 -0.579 0.688 1.00 0.00 C ATOM 7 SD MET A 100 2.989 0.649 1.790 1.00 0.00 S ATOM 8 CE MET A 100 1.267 0.160 1.749 1.00 0.00 C ATOM 0 HA MET A 100 3.481 0.779 -2.475 1.00 0.00 H new ATOM 0 HB2 MET A 100 5.115 -0.524 -0.931 1.00 0.00 H new ATOM 0 HB3 MET A 100 4.551 1.053 -0.415 1.00 0.00 H new ATOM 0 HG2 MET A 100 2.974 -1.341 0.456 1.00 0.00 H new ATOM 0 HG3 MET A 100 4.538 -1.081 1.201 1.00 0.00 H new ATOM 0 HE1 MET A 100 0.675 0.950 1.287 1.00 0.00 H new ATOM 0 HE2 MET A 100 1.163 -0.757 1.169 1.00 0.00 H new ATOM 0 HE3 MET A 100 0.913 -0.011 2.766 1.00 0.00 H new ATOM 18 N ILE A 101 2.103 -1.608 -3.151 1.00 0.00 N ATOM 19 CA ILE A 101 1.959 -2.877 -3.854 1.00 0.00 C ATOM 20 C ILE A 101 2.576 -2.807 -5.246 1.00 0.00 C ATOM 21 O ILE A 101 3.026 -1.748 -5.684 1.00 0.00 O ATOM 22 CB ILE A 101 0.479 -3.285 -3.980 1.00 0.00 C ATOM 23 CG1 ILE A 101 -0.185 -2.528 -5.132 1.00 0.00 C ATOM 24 CG2 ILE A 101 -0.256 -3.025 -2.674 1.00 0.00 C ATOM 25 CD1 ILE A 101 -1.683 -2.726 -5.200 1.00 0.00 C ATOM 0 H ILE A 101 1.320 -0.966 -3.274 1.00 0.00 H new ATOM 0 HA ILE A 101 2.485 -3.627 -3.264 1.00 0.00 H new ATOM 0 HB ILE A 101 0.429 -4.352 -4.195 1.00 0.00 H new ATOM 0 HG12 ILE A 101 0.029 -1.464 -5.028 1.00 0.00 H new ATOM 0 HG13 ILE A 101 0.259 -2.852 -6.073 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -1.300 -3.319 -2.780 1.00 0.00 H new ATOM 0 HG22 ILE A 101 0.205 -3.606 -1.875 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.200 -1.964 -2.430 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -2.087 -2.161 -6.040 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -1.904 -3.785 -5.335 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -2.139 -2.375 -4.274 1.00 0.00 H new ATOM 37 N TRP A 102 2.592 -3.940 -5.938 1.00 0.00 N ATOM 38 CA TRP A 102 3.152 -4.007 -7.283 1.00 0.00 C ATOM 39 C TRP A 102 2.067 -3.809 -8.335 1.00 0.00 C ATOM 40 O TRP A 102 0.982 -4.383 -8.238 1.00 0.00 O ATOM 41 CB TRP A 102 3.851 -5.350 -7.500 1.00 0.00 C ATOM 42 CG TRP A 102 5.063 -5.535 -6.637 1.00 0.00 C ATOM 43 CD1 TRP A 102 5.106 -5.527 -5.272 1.00 0.00 C ATOM 44 CD2 TRP A 102 6.406 -5.755 -7.082 1.00 0.00 C ATOM 45 NE1 TRP A 102 6.395 -5.728 -4.841 1.00 0.00 N ATOM 46 CE2 TRP A 102 7.211 -5.872 -5.932 1.00 0.00 C ATOM 47 CE3 TRP A 102 7.006 -5.867 -8.339 1.00 0.00 C ATOM 48 CZ2 TRP A 102 8.584 -6.093 -6.004 1.00 0.00 C ATOM 49 CZ3 TRP A 102 8.369 -6.087 -8.409 1.00 0.00 C ATOM 50 CH2 TRP A 102 9.145 -6.198 -7.248 1.00 0.00 C ATOM 0 H TRP A 102 2.224 -4.825 -5.590 1.00 0.00 H new ATOM 0 HA TRP A 102 3.882 -3.204 -7.386 1.00 0.00 H new ATOM 0 HB2 TRP A 102 3.145 -6.156 -7.300 1.00 0.00 H new ATOM 0 HB3 TRP A 102 4.143 -5.435 -8.547 1.00 0.00 H new ATOM 0 HD1 TRP A 102 4.252 -5.384 -4.626 1.00 0.00 H new ATOM 0 HE1 TRP A 102 6.696 -5.764 -3.867 1.00 0.00 H new ATOM 0 HE3 TRP A 102 6.416 -5.783 -9.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 9.185 -6.178 -5.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 8.844 -6.175 -9.375 1.00 0.00 H new ATOM 0 HH2 TRP A 102 10.208 -6.370 -7.336 1.00 0.00 H new ATOM 61 N CYS A 103 2.365 -2.993 -9.341 1.00 0.00 N ATOM 62 CA CYS A 103 1.415 -2.719 -10.411 1.00 0.00 C ATOM 63 C CYS A 103 2.136 -2.523 -11.742 1.00 0.00 C ATOM 64 O CYS A 103 3.366 -2.494 -11.795 1.00 0.00 O ATOM 65 CB CYS A 103 0.585 -1.477 -10.080 1.00 0.00 C ATOM 66 SG CYS A 103 -0.272 -1.561 -8.475 1.00 0.00 S ATOM 0 H CYS A 103 3.258 -2.510 -9.437 1.00 0.00 H new ATOM 0 HA CYS A 103 0.750 -3.578 -10.501 1.00 0.00 H new ATOM 0 HB2 CYS A 103 1.238 -0.605 -10.086 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -0.154 -1.327 -10.867 1.00 0.00 H new ATOM 71 N HIS A 104 1.362 -2.388 -12.814 1.00 0.00 N ATOM 72 CA HIS A 104 1.926 -2.193 -14.145 1.00 0.00 C ATOM 73 C HIS A 104 2.005 -0.709 -14.490 1.00 0.00 C ATOM 74 O HIS A 104 0.992 -0.079 -14.791 1.00 0.00 O ATOM 75 CB HIS A 104 1.087 -2.928 -15.190 1.00 0.00 C ATOM 76 CG HIS A 104 1.293 -4.412 -15.189 1.00 0.00 C ATOM 77 ND1 HIS A 104 2.535 -4.999 -15.073 1.00 0.00 N ATOM 78 CD2 HIS A 104 0.405 -5.429 -15.288 1.00 0.00 C ATOM 79 CE1 HIS A 104 2.403 -6.313 -15.103 1.00 0.00 C ATOM 80 NE2 HIS A 104 1.120 -6.600 -15.232 1.00 0.00 N ATOM 0 H HIS A 104 0.343 -2.410 -12.787 1.00 0.00 H new ATOM 0 HA HIS A 104 2.936 -2.602 -14.148 1.00 0.00 H new ATOM 0 HB2 HIS A 104 0.033 -2.716 -15.012 1.00 0.00 H new ATOM 0 HB3 HIS A 104 1.328 -2.537 -16.178 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -0.666 -5.337 -15.392 1.00 0.00 H new ATOM 0 HE1 HIS A 104 3.207 -7.031 -15.034 1.00 0.00 H new ATOM 0 HE2 HIS A 104 0.725 -7.539 -15.282 1.00 0.00 H new ATOM 88 N GLN A 105 3.214 -0.159 -14.443 1.00 0.00 N ATOM 89 CA GLN A 105 3.423 1.251 -14.749 1.00 0.00 C ATOM 90 C GLN A 105 3.990 1.425 -16.154 1.00 0.00 C ATOM 91 O GLN A 105 4.920 2.204 -16.368 1.00 0.00 O ATOM 92 CB GLN A 105 4.366 1.883 -13.724 1.00 0.00 C ATOM 93 CG GLN A 105 3.712 2.146 -12.377 1.00 0.00 C ATOM 94 CD GLN A 105 4.693 2.052 -11.224 1.00 0.00 C ATOM 95 OE1 GLN A 105 5.446 2.989 -10.957 1.00 0.00 O ATOM 96 NE2 GLN A 105 4.688 0.918 -10.534 1.00 0.00 N ATOM 0 H GLN A 105 4.063 -0.668 -14.196 1.00 0.00 H new ATOM 0 HA GLN A 105 2.457 1.754 -14.702 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.225 1.227 -13.580 1.00 0.00 H new ATOM 0 HB3 GLN A 105 4.746 2.823 -14.124 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.260 3.138 -12.384 1.00 0.00 H new ATOM 0 HG3 GLN A 105 2.906 1.429 -12.223 1.00 0.00 H new ATOM 0 HE21 GLN A 105 4.047 0.168 -10.791 1.00 0.00 H new ATOM 0 HE22 GLN A 105 5.326 0.797 -9.747 1.00 0.00 H new ATOM 105 N CYS A 106 3.425 0.694 -17.110 1.00 0.00 N ATOM 106 CA CYS A 106 3.874 0.766 -18.495 1.00 0.00 C ATOM 107 C CYS A 106 3.151 1.882 -19.244 1.00 0.00 C ATOM 108 O CYS A 106 2.197 2.471 -18.734 1.00 0.00 O ATOM 109 CB CYS A 106 3.639 -0.572 -19.199 1.00 0.00 C ATOM 110 SG CYS A 106 4.888 -0.976 -20.463 1.00 0.00 S ATOM 0 H CYS A 106 2.655 0.045 -16.950 1.00 0.00 H new ATOM 0 HA CYS A 106 4.942 0.986 -18.494 1.00 0.00 H new ATOM 0 HB2 CYS A 106 3.623 -1.366 -18.452 1.00 0.00 H new ATOM 0 HB3 CYS A 106 2.655 -0.556 -19.668 1.00 0.00 H new ATOM 115 N THR A 107 3.611 2.167 -20.458 1.00 0.00 N ATOM 116 CA THR A 107 3.010 3.211 -21.278 1.00 0.00 C ATOM 117 C THR A 107 1.661 2.767 -21.831 1.00 0.00 C ATOM 118 O THR A 107 0.613 3.102 -21.281 1.00 0.00 O ATOM 119 CB THR A 107 3.929 3.604 -22.450 1.00 0.00 C ATOM 120 OG1 THR A 107 5.140 4.183 -21.951 1.00 0.00 O ATOM 121 CG2 THR A 107 3.233 4.591 -23.375 1.00 0.00 C ATOM 0 H THR A 107 4.399 1.689 -20.895 1.00 0.00 H new ATOM 0 HA THR A 107 2.867 4.077 -20.632 1.00 0.00 H new ATOM 0 HB THR A 107 4.164 2.703 -23.016 1.00 0.00 H new ATOM 0 HG1 THR A 107 5.719 4.428 -22.702 1.00 0.00 H new ATOM 0 HG21 THR A 107 3.901 4.854 -24.195 1.00 0.00 H new ATOM 0 HG22 THR A 107 2.327 4.137 -23.776 1.00 0.00 H new ATOM 0 HG23 THR A 107 2.972 5.490 -22.817 1.00 0.00 H new ATOM 129 N GLY A 108 1.694 2.010 -22.923 1.00 0.00 N ATOM 130 CA GLY A 108 0.467 1.532 -23.533 1.00 0.00 C ATOM 131 C GLY A 108 0.678 1.033 -24.948 1.00 0.00 C ATOM 132 O GLY A 108 1.111 -0.100 -25.157 1.00 0.00 O ATOM 0 H GLY A 108 2.549 1.719 -23.397 1.00 0.00 H new ATOM 0 HA2 GLY A 108 0.053 0.727 -22.926 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -0.268 2.337 -23.541 1.00 0.00 H new ATOM 136 N PHE A 109 0.370 1.881 -25.925 1.00 0.00 N ATOM 137 CA PHE A 109 0.527 1.519 -27.329 1.00 0.00 C ATOM 138 C PHE A 109 -0.319 0.296 -27.672 1.00 0.00 C ATOM 139 O PHE A 109 -0.026 -0.428 -28.622 1.00 0.00 O ATOM 140 CB PHE A 109 1.998 1.241 -27.645 1.00 0.00 C ATOM 141 CG PHE A 109 2.819 2.486 -27.818 1.00 0.00 C ATOM 142 CD1 PHE A 109 2.896 3.115 -29.050 1.00 0.00 C ATOM 143 CD2 PHE A 109 3.515 3.027 -26.750 1.00 0.00 C ATOM 144 CE1 PHE A 109 3.651 4.261 -29.214 1.00 0.00 C ATOM 145 CE2 PHE A 109 4.272 4.173 -26.907 1.00 0.00 C ATOM 146 CZ PHE A 109 4.340 4.790 -28.140 1.00 0.00 C ATOM 0 H PHE A 109 0.011 2.823 -25.770 1.00 0.00 H new ATOM 0 HA PHE A 109 0.185 2.358 -27.936 1.00 0.00 H new ATOM 0 HB2 PHE A 109 2.427 0.641 -26.842 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.059 0.645 -28.556 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.359 2.705 -29.893 1.00 0.00 H new ATOM 0 HD2 PHE A 109 3.466 2.548 -25.783 1.00 0.00 H new ATOM 0 HE1 PHE A 109 3.702 4.742 -30.180 1.00 0.00 H new ATOM 0 HE2 PHE A 109 4.810 4.585 -26.066 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.931 5.685 -28.265 1.00 0.00 H new ATOM 156 N GLY A 110 -1.372 0.073 -26.891 1.00 0.00 N ATOM 157 CA GLY A 110 -2.244 -1.062 -27.128 1.00 0.00 C ATOM 158 C GLY A 110 -2.492 -1.875 -25.872 1.00 0.00 C ATOM 159 O GLY A 110 -3.518 -2.541 -25.748 1.00 0.00 O ATOM 0 H GLY A 110 -1.636 0.658 -26.099 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -3.197 -0.708 -27.522 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -1.802 -1.703 -27.891 1.00 0.00 H new ATOM 163 N GLY A 111 -1.547 -1.821 -24.938 1.00 0.00 N ATOM 164 CA GLY A 111 -1.686 -2.563 -23.699 1.00 0.00 C ATOM 165 C GLY A 111 -0.347 -2.932 -23.091 1.00 0.00 C ATOM 166 O GLY A 111 -0.156 -4.056 -22.625 1.00 0.00 O ATOM 0 H GLY A 111 -0.688 -1.277 -25.018 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -2.254 -1.968 -22.984 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -2.260 -3.471 -23.885 1.00 0.00 H new ATOM 170 N CYS A 112 0.584 -1.983 -23.095 1.00 0.00 N ATOM 171 CA CYS A 112 1.913 -2.213 -22.542 1.00 0.00 C ATOM 172 C CYS A 112 1.823 -2.801 -21.136 1.00 0.00 C ATOM 173 O CYS A 112 0.814 -2.643 -20.450 1.00 0.00 O ATOM 174 CB CYS A 112 2.708 -0.907 -22.510 1.00 0.00 C ATOM 175 SG CYS A 112 4.500 -1.132 -22.270 1.00 0.00 S ATOM 0 H CYS A 112 0.442 -1.047 -23.475 1.00 0.00 H new ATOM 0 HA CYS A 112 2.427 -2.928 -23.184 1.00 0.00 H new ATOM 0 HB2 CYS A 112 2.542 -0.370 -23.444 1.00 0.00 H new ATOM 0 HB3 CYS A 112 2.321 -0.278 -21.708 1.00 0.00 H new ATOM 180 N SER A 113 2.885 -3.480 -20.716 1.00 0.00 N ATOM 181 CA SER A 113 2.926 -4.094 -19.394 1.00 0.00 C ATOM 182 C SER A 113 4.311 -3.953 -18.771 1.00 0.00 C ATOM 183 O SER A 113 5.323 -3.945 -19.474 1.00 0.00 O ATOM 184 CB SER A 113 2.543 -5.573 -19.484 1.00 0.00 C ATOM 185 OG SER A 113 3.683 -6.382 -19.714 1.00 0.00 O ATOM 0 H SER A 113 3.729 -3.619 -21.272 1.00 0.00 H new ATOM 0 HA SER A 113 2.207 -3.577 -18.758 1.00 0.00 H new ATOM 0 HB2 SER A 113 2.054 -5.882 -18.560 1.00 0.00 H new ATOM 0 HB3 SER A 113 1.823 -5.717 -20.289 1.00 0.00 H new ATOM 0 HG SER A 113 3.412 -7.322 -19.766 1.00 0.00 H new ATOM 191 N HIS A 114 4.349 -3.841 -17.447 1.00 0.00 N ATOM 192 CA HIS A 114 5.611 -3.701 -16.728 1.00 0.00 C ATOM 193 C HIS A 114 5.382 -3.732 -15.219 1.00 0.00 C ATOM 194 O HIS A 114 5.154 -2.697 -14.595 1.00 0.00 O ATOM 195 CB HIS A 114 6.305 -2.397 -17.123 1.00 0.00 C ATOM 196 CG HIS A 114 7.799 -2.470 -17.052 1.00 0.00 C ATOM 197 ND1 HIS A 114 8.625 -1.932 -18.017 1.00 0.00 N ATOM 198 CD2 HIS A 114 8.616 -3.020 -16.124 1.00 0.00 C ATOM 199 CE1 HIS A 114 9.886 -2.149 -17.685 1.00 0.00 C ATOM 200 NE2 HIS A 114 9.907 -2.808 -16.540 1.00 0.00 N ATOM 0 H HIS A 114 3.522 -3.844 -16.851 1.00 0.00 H new ATOM 0 HA HIS A 114 6.251 -4.541 -16.999 1.00 0.00 H new ATOM 0 HB2 HIS A 114 6.010 -2.131 -18.138 1.00 0.00 H new ATOM 0 HB3 HIS A 114 5.957 -1.597 -16.470 1.00 0.00 H new ATOM 0 HD2 HIS A 114 8.309 -3.531 -15.223 1.00 0.00 H new ATOM 0 HE1 HIS A 114 10.751 -1.840 -18.253 1.00 0.00 H new ATOM 0 HE2 HIS A 114 10.746 -3.110 -16.045 1.00 0.00 H new ATOM 208 N GLY A 115 5.445 -4.928 -14.641 1.00 0.00 N ATOM 209 CA GLY A 115 5.242 -5.071 -13.211 1.00 0.00 C ATOM 210 C GLY A 115 6.319 -4.379 -12.400 1.00 0.00 C ATOM 211 O GLY A 115 7.418 -4.908 -12.236 1.00 0.00 O ATOM 0 H GLY A 115 5.633 -5.799 -15.137 1.00 0.00 H new ATOM 0 HA2 GLY A 115 4.269 -4.660 -12.943 1.00 0.00 H new ATOM 0 HA3 GLY A 115 5.222 -6.130 -12.954 1.00 0.00 H new ATOM 215 N SER A 116 6.005 -3.191 -11.893 1.00 0.00 N ATOM 216 CA SER A 116 6.956 -2.423 -11.099 1.00 0.00 C ATOM 217 C SER A 116 6.329 -1.974 -9.783 1.00 0.00 C ATOM 218 O SER A 116 5.141 -1.655 -9.726 1.00 0.00 O ATOM 219 CB SER A 116 7.443 -1.205 -11.887 1.00 0.00 C ATOM 220 OG SER A 116 7.580 -1.510 -13.264 1.00 0.00 O ATOM 0 H SER A 116 5.099 -2.740 -12.018 1.00 0.00 H new ATOM 0 HA SER A 116 7.807 -3.066 -10.874 1.00 0.00 H new ATOM 0 HB2 SER A 116 6.739 -0.382 -11.762 1.00 0.00 H new ATOM 0 HB3 SER A 116 8.400 -0.869 -11.489 1.00 0.00 H new ATOM 0 HG SER A 116 7.891 -0.715 -13.746 1.00 0.00 H new ATOM 226 N ARG A 117 7.136 -1.951 -8.727 1.00 0.00 N ATOM 227 CA ARG A 117 6.660 -1.543 -7.411 1.00 0.00 C ATOM 228 C ARG A 117 6.199 -0.088 -7.427 1.00 0.00 C ATOM 229 O ARG A 117 6.680 0.718 -8.224 1.00 0.00 O ATOM 230 CB ARG A 117 7.763 -1.728 -6.367 1.00 0.00 C ATOM 231 CG ARG A 117 8.903 -0.732 -6.503 1.00 0.00 C ATOM 232 CD ARG A 117 10.029 -1.288 -7.362 1.00 0.00 C ATOM 233 NE ARG A 117 10.517 -2.570 -6.862 1.00 0.00 N ATOM 234 CZ ARG A 117 11.410 -3.316 -7.502 1.00 0.00 C ATOM 235 NH1 ARG A 117 11.911 -2.909 -8.660 1.00 0.00 N ATOM 236 NH2 ARG A 117 11.805 -4.472 -6.983 1.00 0.00 N ATOM 0 H ARG A 117 8.122 -2.210 -8.757 1.00 0.00 H new ATOM 0 HA ARG A 117 5.810 -2.173 -7.148 1.00 0.00 H new ATOM 0 HB2 ARG A 117 7.329 -1.636 -5.372 1.00 0.00 H new ATOM 0 HB3 ARG A 117 8.163 -2.739 -6.448 1.00 0.00 H new ATOM 0 HG2 ARG A 117 8.530 0.192 -6.944 1.00 0.00 H new ATOM 0 HG3 ARG A 117 9.288 -0.481 -5.515 1.00 0.00 H new ATOM 0 HD2 ARG A 117 9.677 -1.409 -8.387 1.00 0.00 H new ATOM 0 HD3 ARG A 117 10.851 -0.573 -7.389 1.00 0.00 H new ATOM 0 HE ARG A 117 10.152 -2.911 -5.973 1.00 0.00 H new ATOM 0 HH11 ARG A 117 11.611 -2.021 -9.062 1.00 0.00 H new ATOM 0 HH12 ARG A 117 12.597 -3.484 -9.149 1.00 0.00 H new ATOM 0 HH21 ARG A 117 11.423 -4.788 -6.092 1.00 0.00 H new ATOM 0 HH22 ARG A 117 12.491 -5.044 -7.475 1.00 0.00 H new ATOM 250 N CYS A 118 5.264 0.240 -6.542 1.00 0.00 N ATOM 251 CA CYS A 118 4.736 1.596 -6.454 1.00 0.00 C ATOM 252 C CYS A 118 5.318 2.329 -5.248 1.00 0.00 C ATOM 253 O CYS A 118 6.136 1.780 -4.509 1.00 0.00 O ATOM 254 CB CYS A 118 3.209 1.566 -6.358 1.00 0.00 C ATOM 255 SG CYS A 118 2.403 0.563 -7.647 1.00 0.00 S ATOM 0 H CYS A 118 4.856 -0.415 -5.875 1.00 0.00 H new ATOM 0 HA CYS A 118 5.026 2.132 -7.358 1.00 0.00 H new ATOM 0 HB2 CYS A 118 2.925 1.178 -5.380 1.00 0.00 H new ATOM 0 HB3 CYS A 118 2.832 2.587 -6.418 1.00 0.00 H new ATOM 260 N LEU A 119 4.890 3.572 -5.055 1.00 0.00 N ATOM 261 CA LEU A 119 5.367 4.381 -3.939 1.00 0.00 C ATOM 262 C LEU A 119 4.636 4.017 -2.651 1.00 0.00 C ATOM 263 O LEU A 119 3.549 3.439 -2.684 1.00 0.00 O ATOM 264 CB LEU A 119 5.178 5.868 -4.244 1.00 0.00 C ATOM 265 CG LEU A 119 6.365 6.574 -4.900 1.00 0.00 C ATOM 266 CD1 LEU A 119 7.135 5.611 -5.790 1.00 0.00 C ATOM 267 CD2 LEU A 119 5.893 7.780 -5.700 1.00 0.00 C ATOM 0 H LEU A 119 4.214 4.041 -5.657 1.00 0.00 H new ATOM 0 HA LEU A 119 6.429 4.177 -3.802 1.00 0.00 H new ATOM 0 HB2 LEU A 119 4.311 5.978 -4.895 1.00 0.00 H new ATOM 0 HB3 LEU A 119 4.944 6.383 -3.312 1.00 0.00 H new ATOM 0 HG LEU A 119 7.034 6.923 -4.114 1.00 0.00 H new ATOM 0 HD11 LEU A 119 7.976 6.132 -6.248 1.00 0.00 H new ATOM 0 HD12 LEU A 119 7.506 4.779 -5.191 1.00 0.00 H new ATOM 0 HD13 LEU A 119 6.476 5.230 -6.570 1.00 0.00 H new ATOM 0 HD21 LEU A 119 6.751 8.270 -6.160 1.00 0.00 H new ATOM 0 HD22 LEU A 119 5.202 7.453 -6.477 1.00 0.00 H new ATOM 0 HD23 LEU A 119 5.387 8.481 -5.037 1.00 0.00 H new ATOM 279 N ARG A 120 5.237 4.362 -1.517 1.00 0.00 N ATOM 280 CA ARG A 120 4.643 4.073 -0.218 1.00 0.00 C ATOM 281 C ARG A 120 3.180 4.506 -0.181 1.00 0.00 C ATOM 282 O ARG A 120 2.313 3.762 0.277 1.00 0.00 O ATOM 283 CB ARG A 120 5.423 4.780 0.892 1.00 0.00 C ATOM 284 CG ARG A 120 4.796 4.628 2.268 1.00 0.00 C ATOM 285 CD ARG A 120 5.618 5.332 3.336 1.00 0.00 C ATOM 286 NE ARG A 120 5.218 6.726 3.505 1.00 0.00 N ATOM 287 CZ ARG A 120 5.959 7.634 4.130 1.00 0.00 C ATOM 288 NH1 ARG A 120 7.135 7.295 4.643 1.00 0.00 N ATOM 289 NH2 ARG A 120 5.526 8.883 4.244 1.00 0.00 N ATOM 0 H ARG A 120 6.136 4.842 -1.472 1.00 0.00 H new ATOM 0 HA ARG A 120 4.690 2.996 -0.057 1.00 0.00 H new ATOM 0 HB2 ARG A 120 6.439 4.385 0.919 1.00 0.00 H new ATOM 0 HB3 ARG A 120 5.500 5.840 0.652 1.00 0.00 H new ATOM 0 HG2 ARG A 120 3.786 5.038 2.256 1.00 0.00 H new ATOM 0 HG3 ARG A 120 4.708 3.570 2.514 1.00 0.00 H new ATOM 0 HD2 ARG A 120 5.507 4.806 4.284 1.00 0.00 H new ATOM 0 HD3 ARG A 120 6.674 5.288 3.068 1.00 0.00 H new ATOM 0 HE ARG A 120 4.319 7.019 3.122 1.00 0.00 H new ATOM 0 HH11 ARG A 120 7.471 6.336 4.558 1.00 0.00 H new ATOM 0 HH12 ARG A 120 7.703 7.994 5.123 1.00 0.00 H new ATOM 0 HH21 ARG A 120 4.623 9.147 3.851 1.00 0.00 H new ATOM 0 HH22 ARG A 120 6.097 9.579 4.724 1.00 0.00 H new ATOM 303 N ASP A 121 2.914 5.714 -0.666 1.00 0.00 N ATOM 304 CA ASP A 121 1.556 6.247 -0.689 1.00 0.00 C ATOM 305 C ASP A 121 0.682 5.464 -1.665 1.00 0.00 C ATOM 306 O ASP A 121 -0.492 5.213 -1.397 1.00 0.00 O ATOM 307 CB ASP A 121 1.573 7.727 -1.074 1.00 0.00 C ATOM 308 CG ASP A 121 1.691 8.638 0.132 1.00 0.00 C ATOM 309 OD1 ASP A 121 2.831 8.883 0.581 1.00 0.00 O ATOM 310 OD2 ASP A 121 0.644 9.105 0.626 1.00 0.00 O ATOM 0 H ASP A 121 3.620 6.343 -1.048 1.00 0.00 H new ATOM 0 HA ASP A 121 1.134 6.145 0.311 1.00 0.00 H new ATOM 0 HB2 ASP A 121 2.407 7.914 -1.750 1.00 0.00 H new ATOM 0 HB3 ASP A 121 0.661 7.968 -1.620 1.00 0.00 H new ATOM 315 N SER A 122 1.264 5.083 -2.797 1.00 0.00 N ATOM 316 CA SER A 122 0.537 4.333 -3.815 1.00 0.00 C ATOM 317 C SER A 122 0.228 2.919 -3.332 1.00 0.00 C ATOM 318 O SER A 122 1.118 2.072 -3.245 1.00 0.00 O ATOM 319 CB SER A 122 1.346 4.276 -5.112 1.00 0.00 C ATOM 320 OG SER A 122 1.284 5.509 -5.807 1.00 0.00 O ATOM 0 H SER A 122 2.236 5.281 -3.033 1.00 0.00 H new ATOM 0 HA SER A 122 -0.405 4.847 -4.005 1.00 0.00 H new ATOM 0 HB2 SER A 122 2.385 4.034 -4.886 1.00 0.00 H new ATOM 0 HB3 SER A 122 0.964 3.477 -5.748 1.00 0.00 H new ATOM 0 HG SER A 122 1.932 5.503 -6.542 1.00 0.00 H new ATOM 326 N THR A 123 -1.039 2.671 -3.018 1.00 0.00 N ATOM 327 CA THR A 123 -1.467 1.362 -2.542 1.00 0.00 C ATOM 328 C THR A 123 -2.457 0.722 -3.508 1.00 0.00 C ATOM 329 O THR A 123 -2.950 -0.380 -3.268 1.00 0.00 O ATOM 330 CB THR A 123 -2.115 1.455 -1.147 1.00 0.00 C ATOM 331 OG1 THR A 123 -2.176 0.156 -0.548 1.00 0.00 O ATOM 332 CG2 THR A 123 -3.514 2.043 -1.239 1.00 0.00 C ATOM 0 H THR A 123 -1.788 3.360 -3.085 1.00 0.00 H new ATOM 0 HA THR A 123 -0.573 0.742 -2.478 1.00 0.00 H new ATOM 0 HB THR A 123 -1.502 2.111 -0.529 1.00 0.00 H new ATOM 0 HG1 THR A 123 -2.392 -0.510 -1.233 1.00 0.00 H new ATOM 0 HG21 THR A 123 -3.951 2.099 -0.242 1.00 0.00 H new ATOM 0 HG22 THR A 123 -3.461 3.043 -1.669 1.00 0.00 H new ATOM 0 HG23 THR A 123 -4.134 1.409 -1.872 1.00 0.00 H new ATOM 340 N HIS A 124 -2.745 1.420 -4.602 1.00 0.00 N ATOM 341 CA HIS A 124 -3.676 0.919 -5.606 1.00 0.00 C ATOM 342 C HIS A 124 -3.136 1.153 -7.013 1.00 0.00 C ATOM 343 O HIS A 124 -2.179 1.903 -7.205 1.00 0.00 O ATOM 344 CB HIS A 124 -5.039 1.595 -5.451 1.00 0.00 C ATOM 345 CG HIS A 124 -5.684 1.345 -4.123 1.00 0.00 C ATOM 346 ND1 HIS A 124 -6.316 2.332 -3.395 1.00 0.00 N ATOM 347 CD2 HIS A 124 -5.795 0.211 -3.392 1.00 0.00 C ATOM 348 CE1 HIS A 124 -6.785 1.816 -2.273 1.00 0.00 C ATOM 349 NE2 HIS A 124 -6.483 0.530 -2.247 1.00 0.00 N ATOM 0 H HIS A 124 -2.347 2.334 -4.816 1.00 0.00 H new ATOM 0 HA HIS A 124 -3.792 -0.154 -5.454 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -4.921 2.669 -5.592 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -5.703 1.241 -6.240 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -5.413 -0.763 -3.659 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -7.324 2.354 -1.507 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -6.722 -0.120 -1.498 1.00 0.00 H new ATOM 357 N CYS A 125 -3.755 0.505 -7.995 1.00 0.00 N ATOM 358 CA CYS A 125 -3.336 0.641 -9.385 1.00 0.00 C ATOM 359 C CYS A 125 -4.445 1.263 -10.229 1.00 0.00 C ATOM 360 O CYS A 125 -5.620 1.216 -9.862 1.00 0.00 O ATOM 361 CB CYS A 125 -2.948 -0.723 -9.958 1.00 0.00 C ATOM 362 SG CYS A 125 -2.117 -1.822 -8.766 1.00 0.00 S ATOM 0 H CYS A 125 -4.549 -0.120 -7.853 1.00 0.00 H new ATOM 0 HA CYS A 125 -2.468 1.300 -9.414 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -3.846 -1.218 -10.328 1.00 0.00 H new ATOM 0 HB3 CYS A 125 -2.292 -0.572 -10.815 1.00 0.00 H new ATOM 367 N VAL A 126 -4.064 1.846 -11.361 1.00 0.00 N ATOM 368 CA VAL A 126 -5.025 2.476 -12.258 1.00 0.00 C ATOM 369 C VAL A 126 -4.720 2.139 -13.713 1.00 0.00 C ATOM 370 O VAL A 126 -3.559 2.084 -14.120 1.00 0.00 O ATOM 371 CB VAL A 126 -5.032 4.007 -12.087 1.00 0.00 C ATOM 372 CG1 VAL A 126 -5.814 4.666 -13.213 1.00 0.00 C ATOM 373 CG2 VAL A 126 -5.608 4.388 -10.732 1.00 0.00 C ATOM 0 H VAL A 126 -3.096 1.895 -11.679 1.00 0.00 H new ATOM 0 HA VAL A 126 -6.008 2.084 -11.996 1.00 0.00 H new ATOM 0 HB VAL A 126 -4.004 4.366 -12.133 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -5.808 5.747 -13.076 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -5.353 4.419 -14.169 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -6.842 4.304 -13.202 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -5.606 5.473 -10.628 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -6.630 4.018 -10.654 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -5.001 3.946 -9.942 1.00 0.00 H new ATOM 383 N THR A 127 -5.771 1.915 -14.496 1.00 0.00 N ATOM 384 CA THR A 127 -5.617 1.583 -15.906 1.00 0.00 C ATOM 385 C THR A 127 -6.485 2.482 -16.780 1.00 0.00 C ATOM 386 O THR A 127 -7.649 2.177 -17.040 1.00 0.00 O ATOM 387 CB THR A 127 -5.983 0.112 -16.181 1.00 0.00 C ATOM 388 OG1 THR A 127 -5.432 -0.728 -15.160 1.00 0.00 O ATOM 389 CG2 THR A 127 -5.466 -0.329 -17.542 1.00 0.00 C ATOM 0 H THR A 127 -6.739 1.958 -14.176 1.00 0.00 H new ATOM 0 HA THR A 127 -4.568 1.741 -16.155 1.00 0.00 H new ATOM 0 HB THR A 127 -7.069 0.023 -16.177 1.00 0.00 H new ATOM 0 HG1 THR A 127 -6.151 -1.240 -14.734 1.00 0.00 H new ATOM 0 HG21 THR A 127 -5.736 -1.371 -17.714 1.00 0.00 H new ATOM 0 HG22 THR A 127 -5.909 0.294 -18.319 1.00 0.00 H new ATOM 0 HG23 THR A 127 -4.381 -0.226 -17.570 1.00 0.00 H new ATOM 397 N THR A 128 -5.910 3.592 -17.234 1.00 0.00 N ATOM 398 CA THR A 128 -6.631 4.535 -18.079 1.00 0.00 C ATOM 399 C THR A 128 -6.289 4.328 -19.550 1.00 0.00 C ATOM 400 O THR A 128 -5.197 3.872 -19.885 1.00 0.00 O ATOM 401 CB THR A 128 -6.315 5.992 -17.690 1.00 0.00 C ATOM 402 OG1 THR A 128 -5.019 6.358 -18.175 1.00 0.00 O ATOM 403 CG2 THR A 128 -6.367 6.173 -16.181 1.00 0.00 C ATOM 0 H THR A 128 -4.947 3.859 -17.030 1.00 0.00 H new ATOM 0 HA THR A 128 -7.694 4.348 -17.926 1.00 0.00 H new ATOM 0 HB THR A 128 -7.068 6.637 -18.143 1.00 0.00 H new ATOM 0 HG1 THR A 128 -4.369 5.669 -17.923 1.00 0.00 H new ATOM 0 HG21 THR A 128 -6.141 7.209 -15.931 1.00 0.00 H new ATOM 0 HG22 THR A 128 -7.364 5.922 -15.819 1.00 0.00 H new ATOM 0 HG23 THR A 128 -5.634 5.518 -15.710 1.00 0.00 H new ATOM 411 N ALA A 129 -7.231 4.667 -20.425 1.00 0.00 N ATOM 412 CA ALA A 129 -7.028 4.520 -21.861 1.00 0.00 C ATOM 413 C ALA A 129 -7.823 5.564 -22.637 1.00 0.00 C ATOM 414 O ALA A 129 -9.052 5.600 -22.571 1.00 0.00 O ATOM 415 CB ALA A 129 -7.416 3.119 -22.308 1.00 0.00 C ATOM 0 H ALA A 129 -8.142 5.045 -20.164 1.00 0.00 H new ATOM 0 HA ALA A 129 -5.970 4.677 -22.071 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -7.259 3.023 -23.382 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -6.801 2.387 -21.785 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -8.466 2.941 -22.077 1.00 0.00 H new ATOM 421 N THR A 130 -7.114 6.415 -23.373 1.00 0.00 N ATOM 422 CA THR A 130 -7.754 7.461 -24.160 1.00 0.00 C ATOM 423 C THR A 130 -6.924 7.808 -25.391 1.00 0.00 C ATOM 424 O THR A 130 -5.754 7.436 -25.487 1.00 0.00 O ATOM 425 CB THR A 130 -7.972 8.738 -23.326 1.00 0.00 C ATOM 426 OG1 THR A 130 -6.714 9.243 -22.864 1.00 0.00 O ATOM 427 CG2 THR A 130 -8.880 8.459 -22.138 1.00 0.00 C ATOM 0 H THR A 130 -6.096 6.400 -23.440 1.00 0.00 H new ATOM 0 HA THR A 130 -8.722 7.072 -24.475 1.00 0.00 H new ATOM 0 HB THR A 130 -8.450 9.483 -23.962 1.00 0.00 H new ATOM 0 HG1 THR A 130 -6.862 10.056 -22.336 1.00 0.00 H new ATOM 0 HG21 THR A 130 -9.020 9.375 -21.564 1.00 0.00 H new ATOM 0 HG22 THR A 130 -9.847 8.103 -22.495 1.00 0.00 H new ATOM 0 HG23 THR A 130 -8.425 7.699 -21.503 1.00 0.00 H new ATOM 579 N PRO A 140 -5.734 3.333 -29.707 1.00 0.00 N ATOM 580 CA PRO A 140 -5.853 4.342 -28.651 1.00 0.00 C ATOM 581 C PRO A 140 -4.664 4.325 -27.696 1.00 0.00 C ATOM 582 O PRO A 140 -4.022 3.291 -27.506 1.00 0.00 O ATOM 583 CB PRO A 140 -7.134 3.939 -27.918 1.00 0.00 C ATOM 584 CG PRO A 140 -7.273 2.478 -28.172 1.00 0.00 C ATOM 585 CD PRO A 140 -6.710 2.242 -29.546 1.00 0.00 C ATOM 0 HA PRO A 140 -5.878 5.354 -29.055 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -7.063 4.150 -26.851 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -7.996 4.490 -28.295 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -6.732 1.899 -27.424 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -8.317 2.170 -28.120 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -6.235 1.264 -29.623 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -7.486 2.281 -30.310 1.00 0.00 H new ATOM 593 N LEU A 141 -4.377 5.475 -27.096 1.00 0.00 N ATOM 594 CA LEU A 141 -3.265 5.592 -26.158 1.00 0.00 C ATOM 595 C LEU A 141 -3.667 5.095 -24.773 1.00 0.00 C ATOM 596 O LEU A 141 -4.782 5.340 -24.313 1.00 0.00 O ATOM 597 CB LEU A 141 -2.793 7.044 -26.075 1.00 0.00 C ATOM 598 CG LEU A 141 -1.310 7.251 -25.768 1.00 0.00 C ATOM 599 CD1 LEU A 141 -0.991 6.807 -24.349 1.00 0.00 C ATOM 600 CD2 LEU A 141 -0.448 6.498 -26.771 1.00 0.00 C ATOM 0 H LEU A 141 -4.898 6.339 -27.242 1.00 0.00 H new ATOM 0 HA LEU A 141 -2.447 4.971 -26.523 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -3.019 7.533 -27.022 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -3.377 7.551 -25.307 1.00 0.00 H new ATOM 0 HG LEU A 141 -1.086 8.314 -25.852 1.00 0.00 H new ATOM 0 HD11 LEU A 141 0.069 6.962 -24.149 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -1.582 7.391 -23.644 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -1.231 5.750 -24.236 1.00 0.00 H new ATOM 0 HD21 LEU A 141 0.605 6.657 -26.537 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -0.675 5.433 -26.719 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -0.656 6.864 -27.776 1.00 0.00 H new ATOM 612 N VAL A 142 -2.749 4.396 -24.112 1.00 0.00 N ATOM 613 CA VAL A 142 -3.006 3.868 -22.778 1.00 0.00 C ATOM 614 C VAL A 142 -1.964 4.362 -21.781 1.00 0.00 C ATOM 615 O VAL A 142 -0.881 4.805 -22.165 1.00 0.00 O ATOM 616 CB VAL A 142 -3.012 2.327 -22.776 1.00 0.00 C ATOM 617 CG1 VAL A 142 -3.707 1.797 -21.531 1.00 0.00 C ATOM 618 CG2 VAL A 142 -3.678 1.796 -24.036 1.00 0.00 C ATOM 0 H VAL A 142 -1.821 4.183 -24.479 1.00 0.00 H new ATOM 0 HA VAL A 142 -3.990 4.229 -22.479 1.00 0.00 H new ATOM 0 HB VAL A 142 -1.980 1.977 -22.763 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -3.701 0.707 -21.547 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -3.182 2.149 -20.643 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -4.737 2.154 -21.509 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -3.674 0.706 -24.018 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -4.706 2.154 -24.082 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -3.132 2.147 -24.912 1.00 0.00 H new ATOM 628 N THR A 143 -2.298 4.284 -20.496 1.00 0.00 N ATOM 629 CA THR A 143 -1.392 4.725 -19.443 1.00 0.00 C ATOM 630 C THR A 143 -1.765 4.103 -18.102 1.00 0.00 C ATOM 631 O THR A 143 -2.820 4.399 -17.540 1.00 0.00 O ATOM 632 CB THR A 143 -1.395 6.259 -19.304 1.00 0.00 C ATOM 633 OG1 THR A 143 -0.927 6.861 -20.515 1.00 0.00 O ATOM 634 CG2 THR A 143 -0.518 6.698 -18.141 1.00 0.00 C ATOM 0 H THR A 143 -3.189 3.919 -20.160 1.00 0.00 H new ATOM 0 HA THR A 143 -0.392 4.396 -19.728 1.00 0.00 H new ATOM 0 HB THR A 143 -2.418 6.583 -19.110 1.00 0.00 H new ATOM 0 HG1 THR A 143 -0.551 6.170 -21.099 1.00 0.00 H new ATOM 0 HG21 THR A 143 -0.535 7.785 -18.062 1.00 0.00 H new ATOM 0 HG22 THR A 143 -0.895 6.261 -17.216 1.00 0.00 H new ATOM 0 HG23 THR A 143 0.505 6.363 -18.310 1.00 0.00 H new ATOM 642 N LYS A 144 -0.893 3.240 -17.592 1.00 0.00 N ATOM 643 CA LYS A 144 -1.129 2.578 -16.315 1.00 0.00 C ATOM 644 C LYS A 144 -0.141 3.064 -15.259 1.00 0.00 C ATOM 645 O LYS A 144 1.036 3.274 -15.547 1.00 0.00 O ATOM 646 CB LYS A 144 -1.014 1.060 -16.475 1.00 0.00 C ATOM 647 CG LYS A 144 -2.121 0.452 -17.319 1.00 0.00 C ATOM 648 CD LYS A 144 -1.751 0.430 -18.792 1.00 0.00 C ATOM 649 CE LYS A 144 -1.040 -0.862 -19.168 1.00 0.00 C ATOM 650 NZ LYS A 144 -1.997 -1.988 -19.351 1.00 0.00 N ATOM 0 H LYS A 144 -0.016 2.983 -18.044 1.00 0.00 H new ATOM 0 HA LYS A 144 -2.138 2.828 -15.986 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -0.051 0.823 -16.928 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -1.025 0.597 -15.488 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -2.323 -0.564 -16.979 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -3.039 1.023 -17.182 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -2.651 0.540 -19.396 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -1.108 1.280 -19.020 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -0.476 -0.712 -20.088 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -0.320 -1.120 -18.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -1.474 -2.850 -19.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -2.518 -2.148 -18.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -2.669 -1.753 -20.110 1.00 0.00 H new ATOM 664 N MET A 145 -0.629 3.239 -14.035 1.00 0.00 N ATOM 665 CA MET A 145 0.213 3.697 -12.936 1.00 0.00 C ATOM 666 C MET A 145 -0.444 3.407 -11.590 1.00 0.00 C ATOM 667 O MET A 145 -1.517 2.806 -11.528 1.00 0.00 O ATOM 668 CB MET A 145 0.490 5.196 -13.068 1.00 0.00 C ATOM 669 CG MET A 145 -0.607 6.071 -12.484 1.00 0.00 C ATOM 670 SD MET A 145 -2.176 5.893 -13.355 1.00 0.00 S ATOM 671 CE MET A 145 -1.659 6.179 -15.046 1.00 0.00 C ATOM 0 H MET A 145 -1.602 3.071 -13.780 1.00 0.00 H new ATOM 0 HA MET A 145 1.157 3.154 -12.984 1.00 0.00 H new ATOM 0 HB2 MET A 145 1.432 5.428 -12.571 1.00 0.00 H new ATOM 0 HB3 MET A 145 0.617 5.442 -14.122 1.00 0.00 H new ATOM 0 HG2 MET A 145 -0.748 5.817 -11.434 1.00 0.00 H new ATOM 0 HG3 MET A 145 -0.292 7.114 -12.520 1.00 0.00 H new ATOM 0 HE1 MET A 145 -2.434 6.734 -15.574 1.00 0.00 H new ATOM 0 HE2 MET A 145 -0.733 6.754 -15.051 1.00 0.00 H new ATOM 0 HE3 MET A 145 -1.495 5.223 -15.543 1.00 0.00 H new ATOM 681 N CYS A 146 0.206 3.837 -10.514 1.00 0.00 N ATOM 682 CA CYS A 146 -0.314 3.622 -9.169 1.00 0.00 C ATOM 683 C CYS A 146 -0.790 4.935 -8.555 1.00 0.00 C ATOM 684 O CYS A 146 -0.357 6.016 -8.957 1.00 0.00 O ATOM 685 CB CYS A 146 0.759 2.990 -8.280 1.00 0.00 C ATOM 686 SG CYS A 146 1.937 1.928 -9.176 1.00 0.00 S ATOM 0 H CYS A 146 1.095 4.337 -10.547 1.00 0.00 H new ATOM 0 HA CYS A 146 -1.164 2.944 -9.238 1.00 0.00 H new ATOM 0 HB2 CYS A 146 1.312 3.783 -7.777 1.00 0.00 H new ATOM 0 HB3 CYS A 146 0.271 2.399 -7.504 1.00 0.00 H new ATOM 691 N HIS A 147 -1.685 4.834 -7.577 1.00 0.00 N ATOM 692 CA HIS A 147 -2.220 6.013 -6.905 1.00 0.00 C ATOM 693 C HIS A 147 -2.934 5.626 -5.614 1.00 0.00 C ATOM 694 O HIS A 147 -3.115 4.443 -5.324 1.00 0.00 O ATOM 695 CB HIS A 147 -3.183 6.760 -7.830 1.00 0.00 C ATOM 696 CG HIS A 147 -3.211 8.239 -7.597 1.00 0.00 C ATOM 697 ND1 HIS A 147 -4.208 8.870 -6.883 1.00 0.00 N ATOM 698 CD2 HIS A 147 -2.355 9.213 -7.986 1.00 0.00 C ATOM 699 CE1 HIS A 147 -3.966 10.168 -6.845 1.00 0.00 C ATOM 700 NE2 HIS A 147 -2.847 10.402 -7.507 1.00 0.00 N ATOM 0 H HIS A 147 -2.055 3.948 -7.232 1.00 0.00 H new ATOM 0 HA HIS A 147 -1.386 6.668 -6.655 1.00 0.00 H new ATOM 0 HB2 HIS A 147 -2.901 6.569 -8.865 1.00 0.00 H new ATOM 0 HB3 HIS A 147 -4.188 6.360 -7.694 1.00 0.00 H new ATOM 0 HD2 HIS A 147 -1.453 9.080 -8.565 1.00 0.00 H new ATOM 0 HE1 HIS A 147 -4.578 10.911 -6.356 1.00 0.00 H new ATOM 0 HE2 HIS A 147 -2.418 11.318 -7.641 1.00 0.00 H new ATOM 708 N ILE A 148 -3.338 6.630 -4.843 1.00 0.00 N ATOM 709 CA ILE A 148 -4.032 6.393 -3.583 1.00 0.00 C ATOM 710 C ILE A 148 -5.541 6.331 -3.790 1.00 0.00 C ATOM 711 O ILE A 148 -6.305 6.970 -3.068 1.00 0.00 O ATOM 712 CB ILE A 148 -3.712 7.489 -2.549 1.00 0.00 C ATOM 713 CG1 ILE A 148 -2.217 7.816 -2.566 1.00 0.00 C ATOM 714 CG2 ILE A 148 -4.148 7.050 -1.160 1.00 0.00 C ATOM 715 CD1 ILE A 148 -1.802 8.800 -1.495 1.00 0.00 C ATOM 0 H ILE A 148 -3.197 7.615 -5.069 1.00 0.00 H new ATOM 0 HA ILE A 148 -3.680 5.434 -3.204 1.00 0.00 H new ATOM 0 HB ILE A 148 -4.265 8.390 -2.814 1.00 0.00 H new ATOM 0 HG12 ILE A 148 -1.650 6.894 -2.440 1.00 0.00 H new ATOM 0 HG13 ILE A 148 -1.953 8.222 -3.543 1.00 0.00 H new ATOM 0 HG21 ILE A 148 -3.915 7.835 -0.441 1.00 0.00 H new ATOM 0 HG22 ILE A 148 -5.222 6.863 -1.158 1.00 0.00 H new ATOM 0 HG23 ILE A 148 -3.620 6.137 -0.884 1.00 0.00 H new ATOM 0 HD11 ILE A 148 -0.730 8.985 -1.567 1.00 0.00 H new ATOM 0 HD12 ILE A 148 -2.342 9.737 -1.633 1.00 0.00 H new ATOM 0 HD13 ILE A 148 -2.034 8.388 -0.513 1.00 0.00 H new ATOM 727 N GLY A 149 -5.965 5.554 -4.782 1.00 0.00 N ATOM 728 CA GLY A 149 -7.382 5.420 -5.067 1.00 0.00 C ATOM 729 C GLY A 149 -7.676 5.397 -6.553 1.00 0.00 C ATOM 730 O GLY A 149 -7.176 4.537 -7.279 1.00 0.00 O ATOM 0 H GLY A 149 -5.352 5.015 -5.394 1.00 0.00 H new ATOM 0 HA2 GLY A 149 -7.756 4.503 -4.612 1.00 0.00 H new ATOM 0 HA3 GLY A 149 -7.922 6.247 -4.606 1.00 0.00 H new ATOM 734 N CYS A 150 -8.490 6.343 -7.009 1.00 0.00 N ATOM 735 CA CYS A 150 -8.852 6.427 -8.419 1.00 0.00 C ATOM 736 C CYS A 150 -9.463 7.788 -8.743 1.00 0.00 C ATOM 737 O CYS A 150 -10.678 7.934 -8.879 1.00 0.00 O ATOM 738 CB CYS A 150 -9.837 5.314 -8.781 1.00 0.00 C ATOM 739 SG CYS A 150 -10.358 5.322 -10.527 1.00 0.00 S ATOM 0 H CYS A 150 -8.912 7.063 -6.422 1.00 0.00 H new ATOM 0 HA CYS A 150 -7.944 6.306 -9.010 1.00 0.00 H new ATOM 0 HB2 CYS A 150 -9.380 4.351 -8.554 1.00 0.00 H new ATOM 0 HB3 CYS A 150 -10.720 5.405 -8.149 1.00 0.00 H new ATOM 917 N SER A 163 -12.389 6.839 -20.470 1.00 0.00 N ATOM 918 CA SER A 163 -12.490 5.482 -19.947 1.00 0.00 C ATOM 919 C SER A 163 -11.397 5.213 -18.918 1.00 0.00 C ATOM 920 O SER A 163 -10.207 5.291 -19.225 1.00 0.00 O ATOM 921 CB SER A 163 -12.395 4.465 -21.087 1.00 0.00 C ATOM 922 OG SER A 163 -11.585 4.955 -22.141 1.00 0.00 O ATOM 0 HA SER A 163 -13.458 5.379 -19.457 1.00 0.00 H new ATOM 0 HB2 SER A 163 -11.981 3.530 -20.711 1.00 0.00 H new ATOM 0 HB3 SER A 163 -13.393 4.243 -21.464 1.00 0.00 H new ATOM 0 HG SER A 163 -10.658 5.031 -21.833 1.00 0.00 H new ATOM 928 N ILE A 164 -11.809 4.896 -17.695 1.00 0.00 N ATOM 929 CA ILE A 164 -10.866 4.614 -16.621 1.00 0.00 C ATOM 930 C ILE A 164 -11.206 3.302 -15.920 1.00 0.00 C ATOM 931 O ILE A 164 -12.377 2.960 -15.755 1.00 0.00 O ATOM 932 CB ILE A 164 -10.844 5.748 -15.579 1.00 0.00 C ATOM 933 CG1 ILE A 164 -10.739 7.107 -16.275 1.00 0.00 C ATOM 934 CG2 ILE A 164 -9.688 5.553 -14.609 1.00 0.00 C ATOM 935 CD1 ILE A 164 -12.081 7.724 -16.600 1.00 0.00 C ATOM 0 H ILE A 164 -12.790 4.828 -17.424 1.00 0.00 H new ATOM 0 HA ILE A 164 -9.881 4.533 -17.080 1.00 0.00 H new ATOM 0 HB ILE A 164 -11.776 5.721 -15.014 1.00 0.00 H new ATOM 0 HG12 ILE A 164 -10.179 7.791 -15.637 1.00 0.00 H new ATOM 0 HG13 ILE A 164 -10.169 6.991 -17.197 1.00 0.00 H new ATOM 0 HG21 ILE A 164 -9.685 6.362 -13.879 1.00 0.00 H new ATOM 0 HG22 ILE A 164 -9.802 4.599 -14.094 1.00 0.00 H new ATOM 0 HG23 ILE A 164 -8.747 5.558 -15.159 1.00 0.00 H new ATOM 0 HD11 ILE A 164 -11.930 8.685 -17.092 1.00 0.00 H new ATOM 0 HD12 ILE A 164 -12.636 7.060 -17.263 1.00 0.00 H new ATOM 0 HD13 ILE A 164 -12.646 7.872 -15.680 1.00 0.00 H new ATOM 947 N ALA A 165 -10.174 2.573 -15.509 1.00 0.00 N ATOM 948 CA ALA A 165 -10.363 1.301 -14.823 1.00 0.00 C ATOM 949 C ALA A 165 -9.375 1.145 -13.672 1.00 0.00 C ATOM 950 O ALA A 165 -8.214 0.792 -13.881 1.00 0.00 O ATOM 951 CB ALA A 165 -10.221 0.146 -15.803 1.00 0.00 C ATOM 0 H ALA A 165 -9.199 2.841 -15.639 1.00 0.00 H new ATOM 0 HA ALA A 165 -11.370 1.288 -14.407 1.00 0.00 H new ATOM 0 HB1 ALA A 165 -10.365 -0.798 -15.277 1.00 0.00 H new ATOM 0 HB2 ALA A 165 -10.971 0.241 -16.589 1.00 0.00 H new ATOM 0 HB3 ALA A 165 -9.226 0.166 -16.247 1.00 0.00 H new ATOM 957 N CYS A 166 -9.842 1.412 -12.457 1.00 0.00 N ATOM 958 CA CYS A 166 -8.999 1.304 -11.272 1.00 0.00 C ATOM 959 C CYS A 166 -9.399 0.096 -10.430 1.00 0.00 C ATOM 960 O CYS A 166 -10.472 -0.478 -10.617 1.00 0.00 O ATOM 961 CB CYS A 166 -9.096 2.579 -10.433 1.00 0.00 C ATOM 962 SG CYS A 166 -8.946 4.117 -11.398 1.00 0.00 S ATOM 0 H CYS A 166 -10.800 1.705 -12.267 1.00 0.00 H new ATOM 0 HA CYS A 166 -7.968 1.172 -11.600 1.00 0.00 H new ATOM 0 HB2 CYS A 166 -10.051 2.584 -9.908 1.00 0.00 H new ATOM 0 HB3 CYS A 166 -8.315 2.562 -9.673 1.00 0.00 H new ATOM 967 N CYS A 167 -8.528 -0.285 -9.501 1.00 0.00 N ATOM 968 CA CYS A 167 -8.788 -1.424 -8.629 1.00 0.00 C ATOM 969 C CYS A 167 -7.746 -1.506 -7.517 1.00 0.00 C ATOM 970 O CYS A 167 -6.602 -1.088 -7.693 1.00 0.00 O ATOM 971 CB CYS A 167 -8.789 -2.723 -9.438 1.00 0.00 C ATOM 972 SG CYS A 167 -7.711 -2.685 -10.906 1.00 0.00 S ATOM 0 H CYS A 167 -7.635 0.179 -9.333 1.00 0.00 H new ATOM 0 HA CYS A 167 -9.769 -1.286 -8.175 1.00 0.00 H new ATOM 0 HB2 CYS A 167 -8.475 -3.542 -8.791 1.00 0.00 H new ATOM 0 HB3 CYS A 167 -9.809 -2.940 -9.755 1.00 0.00 H new ATOM 977 N GLN A 168 -8.152 -2.048 -6.373 1.00 0.00 N ATOM 978 CA GLN A 168 -7.254 -2.185 -5.232 1.00 0.00 C ATOM 979 C GLN A 168 -6.542 -3.533 -5.258 1.00 0.00 C ATOM 980 O GLN A 168 -6.442 -4.215 -4.238 1.00 0.00 O ATOM 981 CB GLN A 168 -8.031 -2.031 -3.924 1.00 0.00 C ATOM 982 CG GLN A 168 -9.134 -3.062 -3.746 1.00 0.00 C ATOM 983 CD GLN A 168 -9.944 -2.838 -2.484 1.00 0.00 C ATOM 984 OE1 GLN A 168 -11.115 -2.460 -2.543 1.00 0.00 O ATOM 985 NE2 GLN A 168 -9.324 -3.071 -1.333 1.00 0.00 N ATOM 0 H GLN A 168 -9.096 -2.399 -6.212 1.00 0.00 H new ATOM 0 HA GLN A 168 -6.503 -1.397 -5.296 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -7.336 -2.106 -3.087 1.00 0.00 H new ATOM 0 HB3 GLN A 168 -8.468 -1.033 -3.886 1.00 0.00 H new ATOM 0 HG2 GLN A 168 -9.798 -3.031 -4.610 1.00 0.00 H new ATOM 0 HG3 GLN A 168 -8.694 -4.059 -3.718 1.00 0.00 H new ATOM 0 HE21 GLN A 168 -8.353 -3.383 -1.331 1.00 0.00 H new ATOM 0 HE22 GLN A 168 -9.819 -2.938 -0.451 1.00 0.00 H new ATOM 994 N THR A 169 -6.047 -3.913 -6.433 1.00 0.00 N ATOM 995 CA THR A 169 -5.345 -5.180 -6.593 1.00 0.00 C ATOM 996 C THR A 169 -4.018 -4.986 -7.316 1.00 0.00 C ATOM 997 O THR A 169 -3.934 -4.235 -8.288 1.00 0.00 O ATOM 998 CB THR A 169 -6.197 -6.200 -7.372 1.00 0.00 C ATOM 999 OG1 THR A 169 -7.133 -5.516 -8.212 1.00 0.00 O ATOM 1000 CG2 THR A 169 -6.943 -7.122 -6.419 1.00 0.00 C ATOM 0 H THR A 169 -6.120 -3.361 -7.287 1.00 0.00 H new ATOM 0 HA THR A 169 -5.156 -5.565 -5.591 1.00 0.00 H new ATOM 0 HB THR A 169 -5.530 -6.803 -7.988 1.00 0.00 H new ATOM 0 HG1 THR A 169 -7.670 -6.171 -8.705 1.00 0.00 H new ATOM 0 HG21 THR A 169 -7.538 -7.833 -6.992 1.00 0.00 H new ATOM 0 HG22 THR A 169 -6.227 -7.663 -5.801 1.00 0.00 H new ATOM 0 HG23 THR A 169 -7.600 -6.531 -5.781 1.00 0.00 H new ATOM 1008 N SER A 170 -2.982 -5.667 -6.837 1.00 0.00 N ATOM 1009 CA SER A 170 -1.657 -5.567 -7.437 1.00 0.00 C ATOM 1010 C SER A 170 -1.684 -6.023 -8.892 1.00 0.00 C ATOM 1011 O SER A 170 -2.268 -7.057 -9.221 1.00 0.00 O ATOM 1012 CB SER A 170 -0.651 -6.405 -6.646 1.00 0.00 C ATOM 1013 OG SER A 170 -1.047 -7.765 -6.597 1.00 0.00 O ATOM 0 H SER A 170 -3.035 -6.294 -6.035 1.00 0.00 H new ATOM 0 HA SER A 170 -1.350 -4.522 -7.408 1.00 0.00 H new ATOM 0 HB2 SER A 170 0.334 -6.326 -7.106 1.00 0.00 H new ATOM 0 HB3 SER A 170 -0.562 -6.012 -5.633 1.00 0.00 H new ATOM 0 HG SER A 170 -0.387 -8.280 -6.088 1.00 0.00 H new ATOM 1019 N LEU A 171 -1.047 -5.246 -9.761 1.00 0.00 N ATOM 1020 CA LEU A 171 -0.996 -5.569 -11.183 1.00 0.00 C ATOM 1021 C LEU A 171 -2.391 -5.871 -11.723 1.00 0.00 C ATOM 1022 O LEU A 171 -2.562 -6.740 -12.578 1.00 0.00 O ATOM 1023 CB LEU A 171 -0.074 -6.766 -11.422 1.00 0.00 C ATOM 1024 CG LEU A 171 1.367 -6.611 -10.934 1.00 0.00 C ATOM 1025 CD1 LEU A 171 2.080 -7.954 -10.942 1.00 0.00 C ATOM 1026 CD2 LEU A 171 2.115 -5.602 -11.794 1.00 0.00 C ATOM 0 H LEU A 171 -0.558 -4.388 -9.506 1.00 0.00 H new ATOM 0 HA LEU A 171 -0.601 -4.703 -11.713 1.00 0.00 H new ATOM 0 HB2 LEU A 171 -0.510 -7.638 -10.934 1.00 0.00 H new ATOM 0 HB3 LEU A 171 -0.054 -6.976 -12.491 1.00 0.00 H new ATOM 0 HG LEU A 171 1.346 -6.240 -9.909 1.00 0.00 H new ATOM 0 HD11 LEU A 171 3.104 -7.824 -10.592 1.00 0.00 H new ATOM 0 HD12 LEU A 171 1.557 -8.648 -10.284 1.00 0.00 H new ATOM 0 HD13 LEU A 171 2.091 -8.354 -11.956 1.00 0.00 H new ATOM 0 HD21 LEU A 171 3.139 -5.504 -11.433 1.00 0.00 H new ATOM 0 HD22 LEU A 171 2.127 -5.944 -12.829 1.00 0.00 H new ATOM 0 HD23 LEU A 171 1.616 -4.635 -11.737 1.00 0.00 H new ATOM 1038 N CYS A 172 -3.384 -5.146 -11.219 1.00 0.00 N ATOM 1039 CA CYS A 172 -4.764 -5.334 -11.652 1.00 0.00 C ATOM 1040 C CYS A 172 -5.041 -4.562 -12.938 1.00 0.00 C ATOM 1041 O CYS A 172 -6.188 -4.239 -13.245 1.00 0.00 O ATOM 1042 CB CYS A 172 -5.730 -4.883 -10.554 1.00 0.00 C ATOM 1043 SG CYS A 172 -5.877 -3.075 -10.391 1.00 0.00 S ATOM 0 H CYS A 172 -3.259 -4.423 -10.510 1.00 0.00 H new ATOM 0 HA CYS A 172 -4.916 -6.395 -11.847 1.00 0.00 H new ATOM 0 HB2 CYS A 172 -6.716 -5.300 -10.758 1.00 0.00 H new ATOM 0 HB3 CYS A 172 -5.400 -5.297 -9.601 1.00 0.00 H new ATOM 1048 N ASN A 173 -3.982 -4.269 -13.686 1.00 0.00 N ATOM 1049 CA ASN A 173 -4.111 -3.534 -14.939 1.00 0.00 C ATOM 1050 C ASN A 173 -3.939 -4.464 -16.135 1.00 0.00 C ATOM 1051 O ASN A 173 -4.232 -4.092 -17.272 1.00 0.00 O ATOM 1052 CB ASN A 173 -3.077 -2.407 -15.002 1.00 0.00 C ATOM 1053 CG ASN A 173 -2.926 -1.687 -13.676 1.00 0.00 C ATOM 1054 OD1 ASN A 173 -3.837 -1.688 -12.848 1.00 0.00 O ATOM 1055 ND2 ASN A 173 -1.770 -1.066 -13.469 1.00 0.00 N ATOM 0 H ASN A 173 -3.025 -4.529 -13.446 1.00 0.00 H new ATOM 0 HA ASN A 173 -5.111 -3.103 -14.977 1.00 0.00 H new ATOM 0 HB2 ASN A 173 -2.113 -2.818 -15.301 1.00 0.00 H new ATOM 0 HB3 ASN A 173 -3.370 -1.691 -15.770 1.00 0.00 H new ATOM 0 HD21 ASN A 173 -1.610 -0.564 -12.596 1.00 0.00 H new ATOM 0 HD22 ASN A 173 -1.042 -1.091 -14.183 1.00 0.00 H new ATOM 1062 N HIS A 174 -3.462 -5.677 -15.872 1.00 0.00 N ATOM 1063 CA HIS A 174 -3.252 -6.662 -16.927 1.00 0.00 C ATOM 1064 C HIS A 174 -4.581 -7.093 -17.540 1.00 0.00 C ATOM 1065 O HIS A 174 -5.519 -7.448 -16.826 1.00 0.00 O ATOM 1066 CB HIS A 174 -2.512 -7.881 -16.375 1.00 0.00 C ATOM 1067 CG HIS A 174 -3.324 -8.687 -15.408 1.00 0.00 C ATOM 1068 ND1 HIS A 174 -3.325 -10.066 -15.393 1.00 0.00 N ATOM 1069 CD2 HIS A 174 -4.162 -8.300 -14.418 1.00 0.00 C ATOM 1070 CE1 HIS A 174 -4.131 -10.492 -14.436 1.00 0.00 C ATOM 1071 NE2 HIS A 174 -4.650 -9.441 -13.829 1.00 0.00 N ATOM 0 H HIS A 174 -3.214 -6.001 -14.937 1.00 0.00 H new ATOM 0 HA HIS A 174 -2.646 -6.200 -17.706 1.00 0.00 H new ATOM 0 HB2 HIS A 174 -2.211 -8.520 -17.205 1.00 0.00 H new ATOM 0 HB3 HIS A 174 -1.599 -7.549 -15.881 1.00 0.00 H new ATOM 0 HD2 HIS A 174 -4.402 -7.284 -14.143 1.00 0.00 H new ATOM 0 HE1 HIS A 174 -4.331 -11.525 -14.192 1.00 0.00 H new ATOM 0 HE2 HIS A 174 -5.307 -9.471 -13.049 1.00 0.00 H new ATOM 1079 N ASP A 175 -4.653 -7.058 -18.866 1.00 0.00 N ATOM 1080 CA ASP A 175 -5.867 -7.445 -19.575 1.00 0.00 C ATOM 1081 C ASP A 175 -5.947 -8.961 -19.729 1.00 0.00 C ATOM 1082 O ASP A 175 -4.924 -9.638 -19.839 1.00 0.00 O ATOM 1083 CB ASP A 175 -5.914 -6.778 -20.951 1.00 0.00 C ATOM 1084 CG ASP A 175 -4.629 -6.969 -21.731 1.00 0.00 C ATOM 1085 OD1 ASP A 175 -3.612 -6.346 -21.361 1.00 0.00 O ATOM 1086 OD2 ASP A 175 -4.640 -7.742 -22.712 1.00 0.00 O ATOM 0 H ASP A 175 -3.886 -6.766 -19.471 1.00 0.00 H new ATOM 0 HA ASP A 175 -6.723 -7.111 -18.988 1.00 0.00 H new ATOM 0 HB2 ASP A 175 -6.747 -7.188 -21.522 1.00 0.00 H new ATOM 0 HB3 ASP A 175 -6.106 -5.712 -20.828 1.00 0.00 H new