USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 907 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 107 THR OG1 : rot -166:sc= 0.709 USER MOD Set 1.2: A 109 HIS :FLIP no HE2:sc= -2.18 F(o=-2.8,f=-1.5) USER MOD Set 2.1: A 69 THR OG1 : rot -43:sc= -0.662 USER MOD Set 2.2: A 71 SER OG : rot 180:sc= 0.0199 USER MOD Set 3.1: A 23 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 41 LYS NZ :NH3+ -106:sc= 0.00909 (180deg=-0.999) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 9:sc= 0.715 USER MOD Single : A 4 THR OG1 : rot -54:sc= 1.18 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.805 X(o=-0.81,f=-0.52) USER MOD Single : A 15 ASN :FLIP amide:sc= -0.115 F(o=-0.88,f=-0.12) USER MOD Single : A 19 SER OG : rot -54:sc= 0.884 USER MOD Single : A 25 SER OG : rot -71:sc= -0.284 USER MOD Single : A 26 THR OG1 : rot 14:sc= 0.574 USER MOD Single : A 28 THR OG1 : rot -61:sc= 0.459 USER MOD Single : A 37 THR OG1 : rot -94:sc= 0.0972 USER MOD Single : A 38 GLN : amide:sc= -0.153 K(o=-0.15,f=-0.99) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0.0213 X(o=0.021,f=-0.22) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -152:sc= -0.173 (180deg=-1.12) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 74 HIS :FLIP no HD1:sc= -3.81! C(o=-4.3!,f=-3.8!) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 88 GLN : amide:sc= -0.499 X(o=-0.5,f=-0.19) USER MOD Single : A 90 GLN : amide:sc= -1.51 K(o=-1.5,f=-2.2!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.229 USER MOD Single : A 104 ASN : amide:sc= -2.22! C(o=-2.2!,f=-6.7!) USER MOD Single : A 116 SER OG : rot 52:sc= 0.538 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -20.137 -6.121 11.831 1.00 0.00 N ATOM 2 CA SER A 1 -20.155 -5.182 10.674 1.00 0.00 C ATOM 3 C SER A 1 -21.141 -5.690 9.619 1.00 0.00 C ATOM 4 O SER A 1 -21.058 -6.817 9.173 1.00 0.00 O ATOM 5 CB SER A 1 -18.756 -5.096 10.064 1.00 0.00 C ATOM 6 OG SER A 1 -18.454 -6.320 9.408 1.00 0.00 O ATOM 0 H1 SER A 1 -19.467 -5.776 12.548 1.00 0.00 H new ATOM 0 H2 SER A 1 -21.089 -6.179 12.246 1.00 0.00 H new ATOM 0 H3 SER A 1 -19.842 -7.065 11.508 1.00 0.00 H new ATOM 0 HA SER A 1 -20.464 -4.194 11.014 1.00 0.00 H new ATOM 0 HB2 SER A 1 -18.706 -4.269 9.356 1.00 0.00 H new ATOM 0 HB3 SER A 1 -18.019 -4.895 10.842 1.00 0.00 H new ATOM 0 HG SER A 1 -19.258 -6.880 9.374 1.00 0.00 H new ATOM 14 N VAL A 2 -22.074 -4.865 9.224 1.00 0.00 N ATOM 15 CA VAL A 2 -23.075 -5.288 8.200 1.00 0.00 C ATOM 16 C VAL A 2 -22.396 -6.132 7.115 1.00 0.00 C ATOM 17 O VAL A 2 -22.896 -7.165 6.718 1.00 0.00 O ATOM 18 CB VAL A 2 -23.701 -4.046 7.562 1.00 0.00 C ATOM 19 CG1 VAL A 2 -24.680 -3.404 8.546 1.00 0.00 C ATOM 20 CG2 VAL A 2 -22.597 -3.044 7.215 1.00 0.00 C ATOM 0 H VAL A 2 -22.187 -3.911 9.568 1.00 0.00 H new ATOM 0 HA VAL A 2 -23.848 -5.886 8.682 1.00 0.00 H new ATOM 0 HB VAL A 2 -24.234 -4.332 6.655 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -25.126 -2.519 8.091 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -25.465 -4.118 8.796 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -24.148 -3.117 9.453 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -23.040 -2.158 6.760 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -22.066 -2.759 8.123 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -21.898 -3.501 6.514 1.00 0.00 H new ATOM 30 N GLY A 3 -21.262 -5.703 6.630 1.00 0.00 N ATOM 31 CA GLY A 3 -20.562 -6.488 5.571 1.00 0.00 C ATOM 32 C GLY A 3 -19.841 -5.536 4.617 1.00 0.00 C ATOM 33 O GLY A 3 -18.686 -5.211 4.807 1.00 0.00 O ATOM 0 H GLY A 3 -20.791 -4.846 6.920 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -19.847 -7.174 6.026 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -21.280 -7.096 5.020 1.00 0.00 H new ATOM 37 N THR A 4 -20.518 -5.089 3.590 1.00 0.00 N ATOM 38 CA THR A 4 -19.882 -4.156 2.615 1.00 0.00 C ATOM 39 C THR A 4 -18.441 -4.596 2.339 1.00 0.00 C ATOM 40 O THR A 4 -17.584 -3.790 2.039 1.00 0.00 O ATOM 41 CB THR A 4 -19.884 -2.736 3.188 1.00 0.00 C ATOM 42 OG1 THR A 4 -19.272 -1.852 2.259 1.00 0.00 O ATOM 43 CG2 THR A 4 -19.107 -2.710 4.505 1.00 0.00 C ATOM 0 H THR A 4 -21.487 -5.332 3.385 1.00 0.00 H new ATOM 0 HA THR A 4 -20.446 -4.172 1.683 1.00 0.00 H new ATOM 0 HB THR A 4 -20.911 -2.421 3.370 1.00 0.00 H new ATOM 0 HG1 THR A 4 -18.384 -2.192 2.020 1.00 0.00 H new ATOM 0 HG21 THR A 4 -19.111 -1.698 4.910 1.00 0.00 H new ATOM 0 HG22 THR A 4 -19.577 -3.388 5.218 1.00 0.00 H new ATOM 0 HG23 THR A 4 -18.079 -3.026 4.327 1.00 0.00 H new ATOM 51 N SER A 5 -18.171 -5.870 2.436 1.00 0.00 N ATOM 52 CA SER A 5 -16.787 -6.360 2.177 1.00 0.00 C ATOM 53 C SER A 5 -15.786 -5.523 2.976 1.00 0.00 C ATOM 54 O SER A 5 -16.158 -4.659 3.745 1.00 0.00 O ATOM 55 CB SER A 5 -16.476 -6.240 0.685 1.00 0.00 C ATOM 56 OG SER A 5 -16.637 -7.508 0.067 1.00 0.00 O ATOM 0 H SER A 5 -18.848 -6.592 2.683 1.00 0.00 H new ATOM 0 HA SER A 5 -16.710 -7.403 2.483 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.140 -5.510 0.221 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.457 -5.880 0.542 1.00 0.00 H new ATOM 0 HG SER A 5 -16.440 -7.433 -0.890 1.00 0.00 H new ATOM 62 N CYS A 6 -14.517 -5.772 2.800 1.00 0.00 N ATOM 63 CA CYS A 6 -13.491 -4.991 3.548 1.00 0.00 C ATOM 64 C CYS A 6 -13.707 -5.164 5.055 1.00 0.00 C ATOM 65 O CYS A 6 -14.549 -4.522 5.651 1.00 0.00 O ATOM 66 CB CYS A 6 -13.607 -3.510 3.179 1.00 0.00 C ATOM 67 SG CYS A 6 -13.546 -3.334 1.378 1.00 0.00 S ATOM 0 H CYS A 6 -14.146 -6.483 2.170 1.00 0.00 H new ATOM 0 HA CYS A 6 -12.498 -5.354 3.284 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -14.540 -3.100 3.564 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -12.796 -2.945 3.639 1.00 0.00 H new ATOM 72 N ILE A 7 -12.944 -6.025 5.673 1.00 0.00 N ATOM 73 CA ILE A 7 -13.088 -6.246 7.140 1.00 0.00 C ATOM 74 C ILE A 7 -11.686 -6.372 7.754 1.00 0.00 C ATOM 75 O ILE A 7 -10.799 -6.919 7.129 1.00 0.00 O ATOM 76 CB ILE A 7 -13.881 -7.535 7.376 1.00 0.00 C ATOM 77 CG1 ILE A 7 -14.017 -7.793 8.878 1.00 0.00 C ATOM 78 CG2 ILE A 7 -13.150 -8.709 6.722 1.00 0.00 C ATOM 79 CD1 ILE A 7 -14.621 -9.179 9.110 1.00 0.00 C ATOM 0 H ILE A 7 -12.223 -6.588 5.221 1.00 0.00 H new ATOM 0 HA ILE A 7 -13.617 -5.413 7.603 1.00 0.00 H new ATOM 0 HB ILE A 7 -14.874 -7.432 6.938 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -13.041 -7.726 9.358 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -14.649 -7.030 9.332 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -13.713 -9.627 6.889 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -13.059 -8.529 5.651 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -12.157 -8.808 7.159 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -14.717 -9.360 10.181 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -15.605 -9.230 8.644 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -13.972 -9.937 8.671 1.00 0.00 H new ATOM 91 N PRO A 8 -11.511 -5.852 8.947 1.00 0.00 N ATOM 92 CA PRO A 8 -10.202 -5.894 9.628 1.00 0.00 C ATOM 93 C PRO A 8 -9.929 -7.294 10.215 1.00 0.00 C ATOM 94 O PRO A 8 -10.816 -7.936 10.740 1.00 0.00 O ATOM 95 CB PRO A 8 -10.344 -4.849 10.739 1.00 0.00 C ATOM 96 CG PRO A 8 -11.859 -4.680 10.993 1.00 0.00 C ATOM 97 CD PRO A 8 -12.577 -5.183 9.725 1.00 0.00 C ATOM 0 HA PRO A 8 -9.367 -5.689 8.958 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.833 -5.174 11.645 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.893 -3.903 10.441 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -12.171 -5.251 11.867 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -12.105 -3.636 11.189 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -13.384 -5.873 9.971 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -13.022 -4.360 9.166 1.00 0.00 H new ATOM 105 N GLY A 9 -8.705 -7.769 10.136 1.00 0.00 N ATOM 106 CA GLY A 9 -8.380 -9.117 10.692 1.00 0.00 C ATOM 107 C GLY A 9 -8.754 -10.212 9.684 1.00 0.00 C ATOM 108 O GLY A 9 -8.333 -11.346 9.802 1.00 0.00 O ATOM 0 H GLY A 9 -7.920 -7.278 9.709 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -7.317 -9.175 10.925 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -8.920 -9.273 11.626 1.00 0.00 H new ATOM 112 N MET A 10 -9.531 -9.880 8.690 1.00 0.00 N ATOM 113 CA MET A 10 -9.923 -10.895 7.669 1.00 0.00 C ATOM 114 C MET A 10 -9.770 -10.254 6.271 1.00 0.00 C ATOM 115 O MET A 10 -10.438 -9.283 5.981 1.00 0.00 O ATOM 116 CB MET A 10 -11.385 -11.292 7.892 1.00 0.00 C ATOM 117 CG MET A 10 -11.491 -12.161 9.148 1.00 0.00 C ATOM 118 SD MET A 10 -12.536 -13.598 8.801 1.00 0.00 S ATOM 119 CE MET A 10 -11.710 -14.758 9.919 1.00 0.00 C ATOM 0 H MET A 10 -9.913 -8.946 8.540 1.00 0.00 H new ATOM 0 HA MET A 10 -9.294 -11.782 7.748 1.00 0.00 H new ATOM 0 HB2 MET A 10 -12.003 -10.401 8.000 1.00 0.00 H new ATOM 0 HB3 MET A 10 -11.761 -11.837 7.026 1.00 0.00 H new ATOM 0 HG2 MET A 10 -10.499 -12.486 9.463 1.00 0.00 H new ATOM 0 HG3 MET A 10 -11.912 -11.582 9.970 1.00 0.00 H new ATOM 0 HE1 MET A 10 -12.202 -15.729 9.864 1.00 0.00 H new ATOM 0 HE2 MET A 10 -10.665 -14.863 9.627 1.00 0.00 H new ATOM 0 HE3 MET A 10 -11.765 -14.381 10.940 1.00 0.00 H new ATOM 129 N ALA A 11 -8.890 -10.754 5.413 1.00 0.00 N ATOM 130 CA ALA A 11 -8.701 -10.127 4.066 1.00 0.00 C ATOM 131 C ALA A 11 -7.691 -8.986 4.218 1.00 0.00 C ATOM 132 O ALA A 11 -6.635 -8.990 3.617 1.00 0.00 O ATOM 133 CB ALA A 11 -10.029 -9.585 3.528 1.00 0.00 C ATOM 0 H ALA A 11 -8.301 -11.567 5.596 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.336 -10.871 3.358 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -9.868 -9.134 2.549 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.746 -10.401 3.438 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.420 -8.833 4.214 1.00 0.00 H new ATOM 139 N ILE A 12 -7.997 -8.031 5.050 1.00 0.00 N ATOM 140 CA ILE A 12 -7.056 -6.906 5.293 1.00 0.00 C ATOM 141 C ILE A 12 -6.460 -7.114 6.696 1.00 0.00 C ATOM 142 O ILE A 12 -7.137 -6.869 7.674 1.00 0.00 O ATOM 143 CB ILE A 12 -7.822 -5.580 5.248 1.00 0.00 C ATOM 144 CG1 ILE A 12 -8.813 -5.604 4.081 1.00 0.00 C ATOM 145 CG2 ILE A 12 -6.838 -4.426 5.059 1.00 0.00 C ATOM 146 CD1 ILE A 12 -8.049 -5.638 2.755 1.00 0.00 C ATOM 0 H ILE A 12 -8.869 -7.982 5.577 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.272 -6.878 4.537 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.364 -5.442 6.183 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.462 -6.476 4.160 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.456 -4.724 4.119 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.384 -3.483 5.027 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.133 -4.409 5.890 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.294 -4.561 4.124 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -8.758 -5.655 1.927 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.419 -4.752 2.675 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -7.425 -6.531 2.717 1.00 0.00 H new ATOM 158 N PRO A 13 -5.246 -7.620 6.778 1.00 0.00 N ATOM 159 CA PRO A 13 -4.627 -7.923 8.077 1.00 0.00 C ATOM 160 C PRO A 13 -4.026 -6.679 8.727 1.00 0.00 C ATOM 161 O PRO A 13 -4.016 -5.602 8.163 1.00 0.00 O ATOM 162 CB PRO A 13 -3.545 -8.944 7.734 1.00 0.00 C ATOM 163 CG PRO A 13 -3.223 -8.758 6.230 1.00 0.00 C ATOM 164 CD PRO A 13 -4.372 -7.926 5.622 1.00 0.00 C ATOM 0 HA PRO A 13 -5.351 -8.297 8.801 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -2.655 -8.785 8.343 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -3.892 -9.958 7.934 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.268 -8.249 6.100 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -3.140 -9.724 5.731 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -4.000 -7.016 5.152 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -4.907 -8.486 4.855 1.00 0.00 H new ATOM 172 N HIS A 14 -3.534 -6.829 9.926 1.00 0.00 N ATOM 173 CA HIS A 14 -2.939 -5.690 10.657 1.00 0.00 C ATOM 174 C HIS A 14 -1.534 -5.396 10.098 1.00 0.00 C ATOM 175 O HIS A 14 -0.839 -6.291 9.660 1.00 0.00 O ATOM 176 CB HIS A 14 -2.857 -6.097 12.128 1.00 0.00 C ATOM 177 CG HIS A 14 -4.242 -6.390 12.637 1.00 0.00 C ATOM 178 ND1 HIS A 14 -4.928 -5.515 13.465 1.00 0.00 N ATOM 179 CD2 HIS A 14 -5.084 -7.454 12.436 1.00 0.00 C ATOM 180 CE1 HIS A 14 -6.129 -6.063 13.726 1.00 0.00 C ATOM 181 NE2 HIS A 14 -6.275 -7.246 13.124 1.00 0.00 N ATOM 0 H HIS A 14 -3.522 -7.713 10.434 1.00 0.00 H new ATOM 0 HA HIS A 14 -3.540 -4.788 10.545 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -2.222 -6.976 12.240 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.402 -5.298 12.714 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -4.857 -8.322 11.835 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -6.883 -5.602 14.347 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -7.086 -7.864 13.161 1.00 0.00 H new ATOM 189 N ASN A 15 -1.107 -4.153 10.102 1.00 0.00 N ATOM 190 CA ASN A 15 0.246 -3.828 9.564 1.00 0.00 C ATOM 191 C ASN A 15 0.349 -4.278 8.102 1.00 0.00 C ATOM 192 O ASN A 15 1.209 -5.064 7.759 1.00 0.00 O ATOM 193 CB ASN A 15 1.312 -4.549 10.393 1.00 0.00 C ATOM 194 CG ASN A 15 2.482 -3.599 10.660 1.00 0.00 C ATOM 195 OD1 ASN A 15 2.735 -2.640 9.812 1.00 0.00 O flip ATOM 196 ND2 ASN A 15 3.173 -3.731 11.651 1.00 0.00 N flip ATOM 0 H ASN A 15 -1.638 -3.356 10.454 1.00 0.00 H new ATOM 0 HA ASN A 15 0.403 -2.751 9.620 1.00 0.00 H new ATOM 0 HB2 ASN A 15 0.885 -4.890 11.336 1.00 0.00 H new ATOM 0 HB3 ASN A 15 1.663 -5.434 9.863 1.00 0.00 H new ATOM 0 HD21 ASN A 15 2.976 -4.480 12.314 1.00 0.00 H new ATOM 0 HD22 ASN A 15 3.950 -3.092 11.820 1.00 0.00 H new ATOM 203 N PRO A 16 -0.533 -3.763 7.281 1.00 0.00 N ATOM 204 CA PRO A 16 -0.567 -4.093 5.844 1.00 0.00 C ATOM 205 C PRO A 16 0.496 -3.301 5.072 1.00 0.00 C ATOM 206 O PRO A 16 1.083 -2.366 5.578 1.00 0.00 O ATOM 207 CB PRO A 16 -1.964 -3.649 5.408 1.00 0.00 C ATOM 208 CG PRO A 16 -2.423 -2.587 6.436 1.00 0.00 C ATOM 209 CD PRO A 16 -1.582 -2.811 7.706 1.00 0.00 C ATOM 0 HA PRO A 16 -0.365 -5.147 5.654 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.943 -3.232 4.401 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.652 -4.494 5.388 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.274 -1.580 6.046 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.486 -2.691 6.652 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.150 -1.878 8.068 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.185 -3.219 8.517 1.00 0.00 H new ATOM 217 N LEU A 17 0.725 -3.665 3.839 1.00 0.00 N ATOM 218 CA LEU A 17 1.723 -2.937 3.000 1.00 0.00 C ATOM 219 C LEU A 17 3.073 -2.833 3.717 1.00 0.00 C ATOM 220 O LEU A 17 3.700 -1.793 3.715 1.00 0.00 O ATOM 221 CB LEU A 17 1.201 -1.529 2.703 1.00 0.00 C ATOM 222 CG LEU A 17 0.183 -1.585 1.563 1.00 0.00 C ATOM 223 CD1 LEU A 17 0.911 -1.828 0.241 1.00 0.00 C ATOM 224 CD2 LEU A 17 -0.805 -2.727 1.812 1.00 0.00 C ATOM 0 H LEU A 17 0.259 -4.443 3.372 1.00 0.00 H new ATOM 0 HA LEU A 17 1.865 -3.492 2.073 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.739 -1.107 3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.029 -0.874 2.432 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.357 -0.640 1.516 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.186 -1.868 -0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.616 -1.016 0.059 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.452 -2.773 0.292 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.530 -2.765 0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.264 -3.672 1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.326 -2.558 2.754 1.00 0.00 H new ATOM 236 N ASP A 18 3.538 -3.894 4.318 1.00 0.00 N ATOM 237 CA ASP A 18 4.860 -3.823 5.010 1.00 0.00 C ATOM 238 C ASP A 18 5.981 -4.044 3.990 1.00 0.00 C ATOM 239 O ASP A 18 6.951 -3.302 3.936 1.00 0.00 O ATOM 240 CB ASP A 18 4.937 -4.893 6.101 1.00 0.00 C ATOM 241 CG ASP A 18 4.810 -6.280 5.469 1.00 0.00 C ATOM 242 OD1 ASP A 18 5.820 -6.802 5.026 1.00 0.00 O ATOM 243 OD2 ASP A 18 3.705 -6.794 5.436 1.00 0.00 O ATOM 0 H ASP A 18 3.068 -4.798 4.361 1.00 0.00 H new ATOM 0 HA ASP A 18 4.973 -2.841 5.469 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.882 -4.812 6.638 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.142 -4.741 6.831 1.00 0.00 H new ATOM 248 N SER A 19 5.849 -5.047 3.171 1.00 0.00 N ATOM 249 CA SER A 19 6.892 -5.314 2.145 1.00 0.00 C ATOM 250 C SER A 19 6.975 -4.107 1.216 1.00 0.00 C ATOM 251 O SER A 19 7.992 -3.839 0.608 1.00 0.00 O ATOM 252 CB SER A 19 6.517 -6.560 1.340 1.00 0.00 C ATOM 253 OG SER A 19 7.684 -7.335 1.104 1.00 0.00 O ATOM 0 H SER A 19 5.062 -5.695 3.168 1.00 0.00 H new ATOM 0 HA SER A 19 7.855 -5.483 2.626 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.779 -7.150 1.883 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.060 -6.272 0.393 1.00 0.00 H new ATOM 0 HG SER A 19 8.372 -6.773 0.690 1.00 0.00 H new ATOM 259 N CYS A 20 5.900 -3.379 1.104 1.00 0.00 N ATOM 260 CA CYS A 20 5.890 -2.184 0.222 1.00 0.00 C ATOM 261 C CYS A 20 6.747 -1.079 0.844 1.00 0.00 C ATOM 262 O CYS A 20 7.602 -0.500 0.198 1.00 0.00 O ATOM 263 CB CYS A 20 4.452 -1.700 0.059 1.00 0.00 C ATOM 264 SG CYS A 20 3.464 -2.996 -0.739 1.00 0.00 S ATOM 0 H CYS A 20 5.022 -3.564 1.590 1.00 0.00 H new ATOM 0 HA CYS A 20 6.301 -2.440 -0.755 1.00 0.00 H new ATOM 0 HB2 CYS A 20 4.028 -1.452 1.032 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.429 -0.790 -0.540 1.00 0.00 H new ATOM 269 N ARG A 21 6.526 -0.777 2.096 1.00 0.00 N ATOM 270 CA ARG A 21 7.327 0.294 2.745 1.00 0.00 C ATOM 271 C ARG A 21 8.821 -0.070 2.686 1.00 0.00 C ATOM 272 O ARG A 21 9.651 0.710 2.231 1.00 0.00 O ATOM 273 CB ARG A 21 6.865 0.481 4.200 1.00 0.00 C ATOM 274 CG ARG A 21 7.616 -0.465 5.140 1.00 0.00 C ATOM 275 CD ARG A 21 7.208 -0.167 6.584 1.00 0.00 C ATOM 276 NE ARG A 21 8.313 -0.553 7.505 1.00 0.00 N ATOM 277 CZ ARG A 21 8.041 -1.142 8.636 1.00 0.00 C ATOM 278 NH1 ARG A 21 7.699 -0.432 9.675 1.00 0.00 N ATOM 279 NH2 ARG A 21 8.111 -2.443 8.728 1.00 0.00 N ATOM 0 H ARG A 21 5.829 -1.224 2.692 1.00 0.00 H new ATOM 0 HA ARG A 21 7.179 1.235 2.215 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.031 1.513 4.508 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.793 0.296 4.272 1.00 0.00 H new ATOM 0 HG2 ARG A 21 7.387 -1.501 4.891 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.692 -0.338 5.020 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.980 0.893 6.697 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.301 -0.716 6.837 1.00 0.00 H new ATOM 0 HE ARG A 21 9.281 -0.357 7.251 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.644 0.584 9.603 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.486 -0.893 10.560 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.378 -2.998 7.915 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.898 -2.904 9.613 1.00 0.00 H new ATOM 293 N TRP A 22 9.182 -1.250 3.125 1.00 0.00 N ATOM 294 CA TRP A 22 10.625 -1.623 3.065 1.00 0.00 C ATOM 295 C TRP A 22 11.080 -1.610 1.608 1.00 0.00 C ATOM 296 O TRP A 22 12.204 -1.258 1.296 1.00 0.00 O ATOM 297 CB TRP A 22 10.890 -3.004 3.670 1.00 0.00 C ATOM 298 CG TRP A 22 10.979 -2.862 5.144 1.00 0.00 C ATOM 299 CD1 TRP A 22 10.232 -3.510 6.048 1.00 0.00 C ATOM 300 CD2 TRP A 22 11.875 -2.017 5.877 1.00 0.00 C ATOM 301 NE1 TRP A 22 10.616 -3.100 7.318 1.00 0.00 N ATOM 302 CE2 TRP A 22 11.638 -2.169 7.256 1.00 0.00 C ATOM 303 CE3 TRP A 22 12.860 -1.138 5.457 1.00 0.00 C ATOM 304 CZ2 TRP A 22 12.374 -1.455 8.203 1.00 0.00 C ATOM 305 CZ3 TRP A 22 13.613 -0.410 6.393 1.00 0.00 C ATOM 306 CH2 TRP A 22 13.368 -0.568 7.769 1.00 0.00 C ATOM 0 H TRP A 22 8.556 -1.955 3.513 1.00 0.00 H new ATOM 0 HA TRP A 22 11.186 -0.896 3.652 1.00 0.00 H new ATOM 0 HB2 TRP A 22 10.090 -3.694 3.403 1.00 0.00 H new ATOM 0 HB3 TRP A 22 11.816 -3.420 3.273 1.00 0.00 H new ATOM 0 HD1 TRP A 22 9.460 -4.231 5.826 1.00 0.00 H new ATOM 0 HE1 TRP A 22 10.199 -3.441 8.184 1.00 0.00 H new ATOM 0 HE3 TRP A 22 13.050 -1.011 4.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 12.180 -1.585 9.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 14.380 0.271 6.056 1.00 0.00 H new ATOM 0 HH2 TRP A 22 13.945 -0.007 8.489 1.00 0.00 H new ATOM 317 N TYR A 23 10.208 -1.980 0.708 1.00 0.00 N ATOM 318 CA TYR A 23 10.591 -1.980 -0.728 1.00 0.00 C ATOM 319 C TYR A 23 10.976 -0.559 -1.132 1.00 0.00 C ATOM 320 O TYR A 23 11.819 -0.360 -1.978 1.00 0.00 O ATOM 321 CB TYR A 23 9.426 -2.479 -1.585 1.00 0.00 C ATOM 322 CG TYR A 23 9.848 -2.541 -3.036 1.00 0.00 C ATOM 323 CD1 TYR A 23 11.176 -2.843 -3.371 1.00 0.00 C ATOM 324 CD2 TYR A 23 8.911 -2.297 -4.048 1.00 0.00 C ATOM 325 CE1 TYR A 23 11.563 -2.898 -4.715 1.00 0.00 C ATOM 326 CE2 TYR A 23 9.300 -2.353 -5.392 1.00 0.00 C ATOM 327 CZ TYR A 23 10.626 -2.653 -5.725 1.00 0.00 C ATOM 328 OH TYR A 23 11.009 -2.709 -7.049 1.00 0.00 O ATOM 0 H TYR A 23 9.253 -2.280 0.906 1.00 0.00 H new ATOM 0 HA TYR A 23 11.438 -2.648 -0.884 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.110 -3.466 -1.246 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.570 -1.814 -1.474 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.900 -3.033 -2.592 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.888 -2.065 -3.792 1.00 0.00 H new ATOM 0 HE1 TYR A 23 12.586 -3.130 -4.973 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.577 -2.165 -6.172 1.00 0.00 H new ATOM 0 HH TYR A 23 10.237 -2.515 -7.621 1.00 0.00 H new ATOM 338 N VAL A 24 10.391 0.438 -0.518 1.00 0.00 N ATOM 339 CA VAL A 24 10.785 1.831 -0.873 1.00 0.00 C ATOM 340 C VAL A 24 12.168 2.088 -0.296 1.00 0.00 C ATOM 341 O VAL A 24 13.015 2.689 -0.923 1.00 0.00 O ATOM 342 CB VAL A 24 9.825 2.850 -0.268 1.00 0.00 C ATOM 343 CG1 VAL A 24 10.240 4.251 -0.727 1.00 0.00 C ATOM 344 CG2 VAL A 24 8.396 2.552 -0.728 1.00 0.00 C ATOM 0 H VAL A 24 9.672 0.350 0.200 1.00 0.00 H new ATOM 0 HA VAL A 24 10.768 1.935 -1.958 1.00 0.00 H new ATOM 0 HB VAL A 24 9.861 2.793 0.820 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.561 4.990 -0.301 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.257 4.457 -0.392 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.198 4.305 -1.815 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.714 3.283 -0.293 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.344 2.610 -1.815 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.111 1.551 -0.404 1.00 0.00 H new ATOM 354 N SER A 25 12.400 1.644 0.909 1.00 0.00 N ATOM 355 CA SER A 25 13.733 1.874 1.532 1.00 0.00 C ATOM 356 C SER A 25 14.845 1.316 0.630 1.00 0.00 C ATOM 357 O SER A 25 15.880 1.928 0.456 1.00 0.00 O ATOM 358 CB SER A 25 13.799 1.171 2.886 1.00 0.00 C ATOM 359 OG SER A 25 13.859 -0.234 2.677 1.00 0.00 O ATOM 0 H SER A 25 11.729 1.136 1.485 1.00 0.00 H new ATOM 0 HA SER A 25 13.874 2.947 1.662 1.00 0.00 H new ATOM 0 HB2 SER A 25 14.675 1.506 3.442 1.00 0.00 H new ATOM 0 HB3 SER A 25 12.925 1.425 3.485 1.00 0.00 H new ATOM 0 HG SER A 25 12.992 -0.553 2.350 1.00 0.00 H new ATOM 365 N THR A 26 14.650 0.143 0.079 1.00 0.00 N ATOM 366 CA THR A 26 15.710 -0.476 -0.784 1.00 0.00 C ATOM 367 C THR A 26 15.731 0.144 -2.193 1.00 0.00 C ATOM 368 O THR A 26 16.763 0.556 -2.677 1.00 0.00 O ATOM 369 CB THR A 26 15.448 -1.985 -0.892 1.00 0.00 C ATOM 370 OG1 THR A 26 15.823 -2.614 0.325 1.00 0.00 O ATOM 371 CG2 THR A 26 16.264 -2.579 -2.045 1.00 0.00 C ATOM 0 H THR A 26 13.803 -0.415 0.188 1.00 0.00 H new ATOM 0 HA THR A 26 16.680 -0.288 -0.323 1.00 0.00 H new ATOM 0 HB THR A 26 14.388 -2.152 -1.084 1.00 0.00 H new ATOM 0 HG1 THR A 26 15.942 -1.935 1.021 1.00 0.00 H new ATOM 0 HG21 THR A 26 16.071 -3.650 -2.113 1.00 0.00 H new ATOM 0 HG22 THR A 26 15.976 -2.098 -2.980 1.00 0.00 H new ATOM 0 HG23 THR A 26 17.326 -2.412 -1.863 1.00 0.00 H new ATOM 379 N ARG A 27 14.618 0.181 -2.869 1.00 0.00 N ATOM 380 CA ARG A 27 14.599 0.741 -4.255 1.00 0.00 C ATOM 381 C ARG A 27 15.041 2.207 -4.255 1.00 0.00 C ATOM 382 O ARG A 27 15.506 2.721 -5.253 1.00 0.00 O ATOM 383 CB ARG A 27 13.180 0.654 -4.824 1.00 0.00 C ATOM 384 CG ARG A 27 13.121 -0.422 -5.908 1.00 0.00 C ATOM 385 CD ARG A 27 14.146 -0.107 -6.998 1.00 0.00 C ATOM 386 NE ARG A 27 13.520 -0.298 -8.338 1.00 0.00 N ATOM 387 CZ ARG A 27 13.066 0.732 -8.999 1.00 0.00 C ATOM 388 NH1 ARG A 27 12.471 1.704 -8.366 1.00 0.00 N ATOM 389 NH2 ARG A 27 13.205 0.787 -10.296 1.00 0.00 N ATOM 0 H ARG A 27 13.718 -0.152 -2.524 1.00 0.00 H new ATOM 0 HA ARG A 27 15.289 0.161 -4.868 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.473 0.420 -4.028 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.885 1.618 -5.239 1.00 0.00 H new ATOM 0 HG2 ARG A 27 13.325 -1.401 -5.475 1.00 0.00 H new ATOM 0 HG3 ARG A 27 12.120 -0.466 -6.337 1.00 0.00 H new ATOM 0 HD2 ARG A 27 14.501 0.918 -6.893 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.015 -0.757 -6.894 1.00 0.00 H new ATOM 0 HE ARG A 27 13.447 -1.233 -8.738 1.00 0.00 H new ATOM 0 HH11 ARG A 27 12.360 1.660 -7.353 1.00 0.00 H new ATOM 0 HH12 ARG A 27 12.117 2.508 -8.884 1.00 0.00 H new ATOM 0 HH21 ARG A 27 13.668 0.025 -10.792 1.00 0.00 H new ATOM 0 HH22 ARG A 27 12.851 1.591 -10.813 1.00 0.00 H new ATOM 403 N THR A 28 14.870 2.895 -3.164 1.00 0.00 N ATOM 404 CA THR A 28 15.249 4.334 -3.132 1.00 0.00 C ATOM 405 C THR A 28 16.651 4.524 -2.528 1.00 0.00 C ATOM 406 O THR A 28 17.545 5.038 -3.169 1.00 0.00 O ATOM 407 CB THR A 28 14.207 5.098 -2.302 1.00 0.00 C ATOM 408 OG1 THR A 28 14.370 4.794 -0.926 1.00 0.00 O ATOM 409 CG2 THR A 28 12.803 4.688 -2.749 1.00 0.00 C ATOM 0 H THR A 28 14.485 2.526 -2.295 1.00 0.00 H new ATOM 0 HA THR A 28 15.273 4.720 -4.151 1.00 0.00 H new ATOM 0 HB THR A 28 14.343 6.169 -2.452 1.00 0.00 H new ATOM 0 HG1 THR A 28 14.228 3.835 -0.784 1.00 0.00 H new ATOM 0 HG21 THR A 28 12.062 5.229 -2.161 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.673 4.926 -3.805 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.672 3.616 -2.600 1.00 0.00 H new ATOM 417 N CYS A 29 16.848 4.132 -1.300 1.00 0.00 N ATOM 418 CA CYS A 29 18.183 4.311 -0.659 1.00 0.00 C ATOM 419 C CYS A 29 18.969 3.002 -0.707 1.00 0.00 C ATOM 420 O CYS A 29 19.937 2.825 0.006 1.00 0.00 O ATOM 421 CB CYS A 29 17.993 4.710 0.802 1.00 0.00 C ATOM 422 SG CYS A 29 16.590 5.839 0.951 1.00 0.00 S ATOM 0 H CYS A 29 16.140 3.694 -0.710 1.00 0.00 H new ATOM 0 HA CYS A 29 18.730 5.086 -1.196 1.00 0.00 H new ATOM 0 HB2 CYS A 29 17.824 3.823 1.412 1.00 0.00 H new ATOM 0 HB3 CYS A 29 18.897 5.188 1.179 1.00 0.00 H new ATOM 427 N GLY A 30 18.558 2.078 -1.519 1.00 0.00 N ATOM 428 CA GLY A 30 19.285 0.777 -1.579 1.00 0.00 C ATOM 429 C GLY A 30 19.411 0.208 -0.159 1.00 0.00 C ATOM 430 O GLY A 30 20.263 -0.613 0.117 1.00 0.00 O ATOM 0 H GLY A 30 17.755 2.161 -2.143 1.00 0.00 H new ATOM 0 HA2 GLY A 30 18.750 0.076 -2.219 1.00 0.00 H new ATOM 0 HA3 GLY A 30 20.273 0.918 -2.017 1.00 0.00 H new ATOM 434 N VAL A 31 18.569 0.646 0.746 1.00 0.00 N ATOM 435 CA VAL A 31 18.640 0.139 2.151 1.00 0.00 C ATOM 436 C VAL A 31 17.429 -0.756 2.437 1.00 0.00 C ATOM 437 O VAL A 31 16.467 -0.766 1.695 1.00 0.00 O ATOM 438 CB VAL A 31 18.640 1.329 3.116 1.00 0.00 C ATOM 439 CG1 VAL A 31 18.387 0.840 4.544 1.00 0.00 C ATOM 440 CG2 VAL A 31 20.000 2.026 3.056 1.00 0.00 C ATOM 0 H VAL A 31 17.836 1.333 0.571 1.00 0.00 H new ATOM 0 HA VAL A 31 19.553 -0.441 2.285 1.00 0.00 H new ATOM 0 HB VAL A 31 17.852 2.026 2.829 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.388 1.691 5.225 1.00 0.00 H new ATOM 0 HG12 VAL A 31 17.420 0.339 4.591 1.00 0.00 H new ATOM 0 HG13 VAL A 31 19.172 0.142 4.834 1.00 0.00 H new ATOM 0 HG21 VAL A 31 20.005 2.874 3.741 1.00 0.00 H new ATOM 0 HG22 VAL A 31 20.782 1.323 3.343 1.00 0.00 H new ATOM 0 HG23 VAL A 31 20.184 2.379 2.041 1.00 0.00 H new ATOM 450 N GLY A 32 17.468 -1.515 3.500 1.00 0.00 N ATOM 451 CA GLY A 32 16.318 -2.410 3.810 1.00 0.00 C ATOM 452 C GLY A 32 16.859 -3.827 4.087 1.00 0.00 C ATOM 453 O GLY A 32 18.052 -4.029 3.979 1.00 0.00 O ATOM 0 H GLY A 32 18.242 -1.553 4.163 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.771 -2.038 4.676 1.00 0.00 H new ATOM 0 HA3 GLY A 32 15.617 -2.429 2.975 1.00 0.00 H new ATOM 457 N PRO A 33 16.008 -4.792 4.421 1.00 0.00 N ATOM 458 CA PRO A 33 16.498 -6.164 4.674 1.00 0.00 C ATOM 459 C PRO A 33 17.066 -6.761 3.379 1.00 0.00 C ATOM 460 O PRO A 33 17.037 -6.130 2.341 1.00 0.00 O ATOM 461 CB PRO A 33 15.259 -6.910 5.197 1.00 0.00 C ATOM 462 CG PRO A 33 14.036 -6.101 4.725 1.00 0.00 C ATOM 463 CD PRO A 33 14.525 -4.652 4.566 1.00 0.00 C ATOM 0 HA PRO A 33 17.315 -6.221 5.393 1.00 0.00 H new ATOM 0 HB2 PRO A 33 15.225 -7.928 4.809 1.00 0.00 H new ATOM 0 HB3 PRO A 33 15.280 -6.984 6.284 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.651 -6.489 3.782 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.224 -6.162 5.450 1.00 0.00 H new ATOM 0 HD2 PRO A 33 14.081 -4.173 3.693 1.00 0.00 H new ATOM 0 HD3 PRO A 33 14.263 -4.044 5.432 1.00 0.00 H new ATOM 471 N ARG A 34 17.618 -7.948 3.425 1.00 0.00 N ATOM 472 CA ARG A 34 18.216 -8.526 2.188 1.00 0.00 C ATOM 473 C ARG A 34 17.178 -9.353 1.432 1.00 0.00 C ATOM 474 O ARG A 34 17.169 -10.566 1.482 1.00 0.00 O ATOM 475 CB ARG A 34 19.397 -9.421 2.568 1.00 0.00 C ATOM 476 CG ARG A 34 20.408 -8.614 3.385 1.00 0.00 C ATOM 477 CD ARG A 34 21.805 -9.206 3.194 1.00 0.00 C ATOM 478 NE ARG A 34 22.832 -8.178 3.520 1.00 0.00 N ATOM 479 CZ ARG A 34 24.086 -8.523 3.635 1.00 0.00 C ATOM 480 NH1 ARG A 34 24.799 -8.757 2.567 1.00 0.00 N ATOM 481 NH2 ARG A 34 24.627 -8.635 4.818 1.00 0.00 N ATOM 0 H ARG A 34 17.679 -8.535 4.257 1.00 0.00 H new ATOM 0 HA ARG A 34 18.556 -7.713 1.546 1.00 0.00 H new ATOM 0 HB2 ARG A 34 19.047 -10.277 3.146 1.00 0.00 H new ATOM 0 HB3 ARG A 34 19.872 -9.815 1.670 1.00 0.00 H new ATOM 0 HG2 ARG A 34 20.397 -7.571 3.069 1.00 0.00 H new ATOM 0 HG3 ARG A 34 20.135 -8.631 4.440 1.00 0.00 H new ATOM 0 HD2 ARG A 34 21.932 -10.078 3.836 1.00 0.00 H new ATOM 0 HD3 ARG A 34 21.930 -9.546 2.166 1.00 0.00 H new ATOM 0 HE ARG A 34 22.556 -7.205 3.653 1.00 0.00 H new ATOM 0 HH11 ARG A 34 24.377 -8.670 1.643 1.00 0.00 H new ATOM 0 HH12 ARG A 34 25.779 -9.026 2.657 1.00 0.00 H new ATOM 0 HH21 ARG A 34 24.070 -8.453 5.653 1.00 0.00 H new ATOM 0 HH22 ARG A 34 25.607 -8.905 4.907 1.00 0.00 H new ATOM 495 N LEU A 35 16.318 -8.689 0.712 1.00 0.00 N ATOM 496 CA LEU A 35 15.284 -9.403 -0.084 1.00 0.00 C ATOM 497 C LEU A 35 15.365 -8.898 -1.525 1.00 0.00 C ATOM 498 O LEU A 35 15.119 -7.738 -1.792 1.00 0.00 O ATOM 499 CB LEU A 35 13.896 -9.102 0.485 1.00 0.00 C ATOM 500 CG LEU A 35 13.687 -9.886 1.781 1.00 0.00 C ATOM 501 CD1 LEU A 35 12.464 -9.333 2.514 1.00 0.00 C ATOM 502 CD2 LEU A 35 13.457 -11.365 1.456 1.00 0.00 C ATOM 0 H LEU A 35 16.288 -7.672 0.641 1.00 0.00 H new ATOM 0 HA LEU A 35 15.454 -10.479 -0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.795 -8.034 0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.129 -9.371 -0.241 1.00 0.00 H new ATOM 0 HG LEU A 35 14.570 -9.787 2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 35 12.312 -9.890 3.439 1.00 0.00 H new ATOM 0 HD12 LEU A 35 12.624 -8.280 2.746 1.00 0.00 H new ATOM 0 HD13 LEU A 35 11.583 -9.435 1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 35 13.308 -11.922 2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.573 -11.466 0.826 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.325 -11.761 0.930 1.00 0.00 H new ATOM 514 N ALA A 36 15.726 -9.747 -2.451 1.00 0.00 N ATOM 515 CA ALA A 36 15.839 -9.299 -3.870 1.00 0.00 C ATOM 516 C ALA A 36 14.667 -8.368 -4.207 1.00 0.00 C ATOM 517 O ALA A 36 13.662 -8.354 -3.523 1.00 0.00 O ATOM 518 CB ALA A 36 15.819 -10.516 -4.799 1.00 0.00 C ATOM 0 H ALA A 36 15.947 -10.729 -2.287 1.00 0.00 H new ATOM 0 HA ALA A 36 16.777 -8.762 -4.007 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.902 -10.185 -5.834 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.657 -11.171 -4.559 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.884 -11.060 -4.666 1.00 0.00 H new ATOM 524 N THR A 37 14.791 -7.577 -5.240 1.00 0.00 N ATOM 525 CA THR A 37 13.688 -6.640 -5.596 1.00 0.00 C ATOM 526 C THR A 37 12.468 -7.418 -6.095 1.00 0.00 C ATOM 527 O THR A 37 11.397 -7.327 -5.535 1.00 0.00 O ATOM 528 CB THR A 37 14.168 -5.688 -6.694 1.00 0.00 C ATOM 529 OG1 THR A 37 15.154 -6.336 -7.485 1.00 0.00 O ATOM 530 CG2 THR A 37 14.766 -4.432 -6.056 1.00 0.00 C ATOM 0 H THR A 37 15.607 -7.540 -5.851 1.00 0.00 H new ATOM 0 HA THR A 37 13.405 -6.073 -4.709 1.00 0.00 H new ATOM 0 HB THR A 37 13.325 -5.407 -7.325 1.00 0.00 H new ATOM 0 HG1 THR A 37 16.045 -6.115 -7.143 1.00 0.00 H new ATOM 0 HG21 THR A 37 15.108 -3.754 -6.838 1.00 0.00 H new ATOM 0 HG22 THR A 37 14.008 -3.935 -5.451 1.00 0.00 H new ATOM 0 HG23 THR A 37 15.609 -4.711 -5.424 1.00 0.00 H new ATOM 538 N GLN A 38 12.614 -8.170 -7.150 1.00 0.00 N ATOM 539 CA GLN A 38 11.449 -8.933 -7.687 1.00 0.00 C ATOM 540 C GLN A 38 10.744 -9.682 -6.554 1.00 0.00 C ATOM 541 O GLN A 38 9.545 -9.876 -6.579 1.00 0.00 O ATOM 542 CB GLN A 38 11.937 -9.930 -8.739 1.00 0.00 C ATOM 543 CG GLN A 38 11.748 -9.332 -10.135 1.00 0.00 C ATOM 544 CD GLN A 38 10.963 -10.311 -11.010 1.00 0.00 C ATOM 545 OE1 GLN A 38 11.083 -11.511 -10.856 1.00 0.00 O ATOM 546 NE2 GLN A 38 10.161 -9.848 -11.929 1.00 0.00 N ATOM 0 H GLN A 38 13.487 -8.290 -7.664 1.00 0.00 H new ATOM 0 HA GLN A 38 10.744 -8.237 -8.142 1.00 0.00 H new ATOM 0 HB2 GLN A 38 12.988 -10.166 -8.572 1.00 0.00 H new ATOM 0 HB3 GLN A 38 11.383 -10.865 -8.654 1.00 0.00 H new ATOM 0 HG2 GLN A 38 11.216 -8.383 -10.066 1.00 0.00 H new ATOM 0 HG3 GLN A 38 12.718 -9.122 -10.586 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.060 -8.841 -12.058 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.635 -10.493 -12.518 1.00 0.00 H new ATOM 555 N GLU A 39 11.473 -10.096 -5.559 1.00 0.00 N ATOM 556 CA GLU A 39 10.840 -10.824 -4.426 1.00 0.00 C ATOM 557 C GLU A 39 9.957 -9.850 -3.648 1.00 0.00 C ATOM 558 O GLU A 39 8.821 -10.140 -3.330 1.00 0.00 O ATOM 559 CB GLU A 39 11.928 -11.375 -3.501 1.00 0.00 C ATOM 560 CG GLU A 39 12.738 -12.441 -4.242 1.00 0.00 C ATOM 561 CD GLU A 39 11.883 -13.695 -4.424 1.00 0.00 C ATOM 562 OE1 GLU A 39 10.865 -13.796 -3.758 1.00 0.00 O ATOM 563 OE2 GLU A 39 12.259 -14.534 -5.226 1.00 0.00 O ATOM 0 H GLU A 39 12.481 -9.962 -5.480 1.00 0.00 H new ATOM 0 HA GLU A 39 10.239 -11.650 -4.805 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.583 -10.568 -3.173 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.476 -11.803 -2.606 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.057 -12.061 -5.213 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.641 -12.682 -3.681 1.00 0.00 H new ATOM 570 N MET A 40 10.474 -8.691 -3.349 1.00 0.00 N ATOM 571 CA MET A 40 9.678 -7.685 -2.599 1.00 0.00 C ATOM 572 C MET A 40 8.434 -7.345 -3.413 1.00 0.00 C ATOM 573 O MET A 40 7.314 -7.544 -2.982 1.00 0.00 O ATOM 574 CB MET A 40 10.517 -6.423 -2.425 1.00 0.00 C ATOM 575 CG MET A 40 9.994 -5.618 -1.236 1.00 0.00 C ATOM 576 SD MET A 40 10.244 -6.559 0.289 1.00 0.00 S ATOM 577 CE MET A 40 11.796 -5.771 0.787 1.00 0.00 C ATOM 0 H MET A 40 11.420 -8.398 -3.594 1.00 0.00 H new ATOM 0 HA MET A 40 9.393 -8.079 -1.623 1.00 0.00 H new ATOM 0 HB2 MET A 40 11.562 -6.688 -2.266 1.00 0.00 H new ATOM 0 HB3 MET A 40 10.476 -5.819 -3.332 1.00 0.00 H new ATOM 0 HG2 MET A 40 10.513 -4.662 -1.175 1.00 0.00 H new ATOM 0 HG3 MET A 40 8.935 -5.398 -1.370 1.00 0.00 H new ATOM 0 HE1 MET A 40 12.141 -6.207 1.725 1.00 0.00 H new ATOM 0 HE2 MET A 40 12.549 -5.929 0.015 1.00 0.00 H new ATOM 0 HE3 MET A 40 11.634 -4.702 0.922 1.00 0.00 H new ATOM 587 N LYS A 41 8.629 -6.834 -4.597 1.00 0.00 N ATOM 588 CA LYS A 41 7.469 -6.480 -5.458 1.00 0.00 C ATOM 589 C LYS A 41 6.484 -7.649 -5.478 1.00 0.00 C ATOM 590 O LYS A 41 5.284 -7.465 -5.524 1.00 0.00 O ATOM 591 CB LYS A 41 7.956 -6.202 -6.882 1.00 0.00 C ATOM 592 CG LYS A 41 6.753 -5.944 -7.791 1.00 0.00 C ATOM 593 CD LYS A 41 6.448 -4.445 -7.822 1.00 0.00 C ATOM 594 CE LYS A 41 7.323 -3.767 -8.878 1.00 0.00 C ATOM 595 NZ LYS A 41 7.448 -2.315 -8.562 1.00 0.00 N ATOM 0 H LYS A 41 9.545 -6.646 -5.005 1.00 0.00 H new ATOM 0 HA LYS A 41 6.978 -5.591 -5.063 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.622 -5.339 -6.888 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.531 -7.050 -7.253 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.961 -6.304 -8.798 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.885 -6.495 -7.428 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.394 -4.282 -8.049 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.635 -4.005 -6.843 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.309 -4.231 -8.901 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.885 -3.898 -9.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.867 -1.764 -9.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.121 -2.142 -7.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.443 -2.025 -8.649 1.00 0.00 H new ATOM 609 N ALA A 42 6.985 -8.853 -5.444 1.00 0.00 N ATOM 610 CA ALA A 42 6.083 -10.037 -5.463 1.00 0.00 C ATOM 611 C ALA A 42 5.244 -10.057 -4.183 1.00 0.00 C ATOM 612 O ALA A 42 4.057 -10.317 -4.211 1.00 0.00 O ATOM 613 CB ALA A 42 6.922 -11.314 -5.543 1.00 0.00 C ATOM 0 H ALA A 42 7.981 -9.067 -5.404 1.00 0.00 H new ATOM 0 HA ALA A 42 5.424 -9.980 -6.329 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.263 -12.182 -5.557 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.522 -11.299 -6.453 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.580 -11.372 -4.676 1.00 0.00 H new ATOM 619 N ARG A 43 5.853 -9.786 -3.061 1.00 0.00 N ATOM 620 CA ARG A 43 5.095 -9.789 -1.780 1.00 0.00 C ATOM 621 C ARG A 43 4.018 -8.701 -1.809 1.00 0.00 C ATOM 622 O ARG A 43 2.893 -8.920 -1.405 1.00 0.00 O ATOM 623 CB ARG A 43 6.055 -9.528 -0.617 1.00 0.00 C ATOM 624 CG ARG A 43 6.422 -10.855 0.048 1.00 0.00 C ATOM 625 CD ARG A 43 7.072 -11.779 -0.984 1.00 0.00 C ATOM 626 NE ARG A 43 7.497 -13.045 -0.321 1.00 0.00 N ATOM 627 CZ ARG A 43 6.611 -13.956 -0.027 1.00 0.00 C ATOM 628 NH1 ARG A 43 5.984 -14.591 -0.980 1.00 0.00 N ATOM 629 NH2 ARG A 43 6.352 -14.235 1.222 1.00 0.00 N ATOM 0 H ARG A 43 6.845 -9.562 -2.977 1.00 0.00 H new ATOM 0 HA ARG A 43 4.619 -10.760 -1.648 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.954 -9.029 -0.979 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.591 -8.861 0.109 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.106 -10.681 0.878 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.530 -11.325 0.463 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.368 -11.996 -1.788 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.932 -11.287 -1.437 1.00 0.00 H new ATOM 0 HE ARG A 43 8.480 -13.199 -0.097 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.187 -14.375 -1.956 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.291 -15.303 -0.749 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.842 -13.741 1.967 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.659 -14.947 1.452 1.00 0.00 H new ATOM 643 N CYS A 44 4.349 -7.528 -2.281 1.00 0.00 N ATOM 644 CA CYS A 44 3.332 -6.441 -2.324 1.00 0.00 C ATOM 645 C CYS A 44 2.201 -6.818 -3.283 1.00 0.00 C ATOM 646 O CYS A 44 1.054 -6.503 -3.044 1.00 0.00 O ATOM 647 CB CYS A 44 3.959 -5.139 -2.803 1.00 0.00 C ATOM 648 SG CYS A 44 4.810 -4.346 -1.423 1.00 0.00 S ATOM 0 H CYS A 44 5.272 -7.278 -2.636 1.00 0.00 H new ATOM 0 HA CYS A 44 2.939 -6.307 -1.316 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.661 -5.336 -3.613 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.190 -4.476 -3.201 1.00 0.00 H new ATOM 653 N CYS A 45 2.505 -7.480 -4.372 1.00 0.00 N ATOM 654 CA CYS A 45 1.420 -7.855 -5.327 1.00 0.00 C ATOM 655 C CYS A 45 0.551 -8.938 -4.691 1.00 0.00 C ATOM 656 O CYS A 45 -0.630 -9.030 -4.959 1.00 0.00 O ATOM 657 CB CYS A 45 2.017 -8.381 -6.641 1.00 0.00 C ATOM 658 SG CYS A 45 2.729 -7.029 -7.625 1.00 0.00 S ATOM 0 H CYS A 45 3.445 -7.773 -4.638 1.00 0.00 H new ATOM 0 HA CYS A 45 0.818 -6.973 -5.548 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.787 -9.121 -6.423 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.243 -8.887 -7.219 1.00 0.00 H new ATOM 663 N ARG A 46 1.115 -9.754 -3.842 1.00 0.00 N ATOM 664 CA ARG A 46 0.298 -10.814 -3.193 1.00 0.00 C ATOM 665 C ARG A 46 -0.601 -10.156 -2.154 1.00 0.00 C ATOM 666 O ARG A 46 -1.708 -10.592 -1.905 1.00 0.00 O ATOM 667 CB ARG A 46 1.215 -11.822 -2.501 1.00 0.00 C ATOM 668 CG ARG A 46 0.474 -13.151 -2.328 1.00 0.00 C ATOM 669 CD ARG A 46 0.335 -13.840 -3.686 1.00 0.00 C ATOM 670 NE ARG A 46 1.392 -14.882 -3.826 1.00 0.00 N ATOM 671 CZ ARG A 46 2.647 -14.531 -3.902 1.00 0.00 C ATOM 672 NH1 ARG A 46 2.987 -13.461 -4.565 1.00 0.00 N ATOM 673 NH2 ARG A 46 3.563 -15.254 -3.317 1.00 0.00 N ATOM 0 H ARG A 46 2.099 -9.732 -3.573 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.301 -11.333 -3.941 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.119 -11.972 -3.091 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.528 -11.438 -1.530 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.017 -13.795 -1.636 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.511 -12.976 -1.895 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.652 -14.294 -3.776 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.423 -13.107 -4.488 1.00 0.00 H new ATOM 0 HE ARG A 46 1.135 -15.868 -3.862 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.272 -12.897 -5.025 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.968 -13.188 -4.624 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.298 -16.093 -2.801 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.544 -14.980 -3.376 1.00 0.00 H new ATOM 687 N GLN A 47 -0.130 -9.100 -1.549 1.00 0.00 N ATOM 688 CA GLN A 47 -0.956 -8.401 -0.526 1.00 0.00 C ATOM 689 C GLN A 47 -2.021 -7.551 -1.227 1.00 0.00 C ATOM 690 O GLN A 47 -3.107 -7.351 -0.717 1.00 0.00 O ATOM 691 CB GLN A 47 -0.056 -7.505 0.327 1.00 0.00 C ATOM 692 CG GLN A 47 1.067 -8.349 0.935 1.00 0.00 C ATOM 693 CD GLN A 47 1.076 -8.173 2.455 1.00 0.00 C ATOM 694 OE1 GLN A 47 0.044 -8.246 3.093 1.00 0.00 O ATOM 695 NE2 GLN A 47 2.207 -7.944 3.067 1.00 0.00 N ATOM 0 H GLN A 47 0.789 -8.692 -1.719 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.445 -9.134 0.115 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.364 -6.705 -0.283 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.639 -7.031 1.117 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.924 -9.399 0.681 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.028 -8.048 0.518 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.073 -7.883 2.532 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.224 -7.827 4.080 1.00 0.00 H new ATOM 704 N LEU A 48 -1.721 -7.055 -2.398 1.00 0.00 N ATOM 705 CA LEU A 48 -2.712 -6.226 -3.137 1.00 0.00 C ATOM 706 C LEU A 48 -3.802 -7.135 -3.701 1.00 0.00 C ATOM 707 O LEU A 48 -4.967 -6.790 -3.707 1.00 0.00 O ATOM 708 CB LEU A 48 -2.015 -5.485 -4.282 1.00 0.00 C ATOM 709 CG LEU A 48 -2.977 -4.462 -4.885 1.00 0.00 C ATOM 710 CD1 LEU A 48 -2.194 -3.231 -5.341 1.00 0.00 C ATOM 711 CD2 LEU A 48 -3.694 -5.082 -6.087 1.00 0.00 C ATOM 0 H LEU A 48 -0.829 -7.190 -2.874 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.156 -5.497 -2.460 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.119 -4.985 -3.914 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.694 -6.193 -5.046 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.711 -4.169 -4.134 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.881 -2.502 -5.771 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.683 -2.788 -4.486 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.460 -3.524 -6.091 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.380 -4.353 -6.517 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.960 -5.376 -6.837 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.253 -5.960 -5.764 1.00 0.00 H new ATOM 723 N GLU A 49 -3.439 -8.302 -4.162 1.00 0.00 N ATOM 724 CA GLU A 49 -4.468 -9.226 -4.705 1.00 0.00 C ATOM 725 C GLU A 49 -5.297 -9.750 -3.537 1.00 0.00 C ATOM 726 O GLU A 49 -6.505 -9.630 -3.522 1.00 0.00 O ATOM 727 CB GLU A 49 -3.793 -10.393 -5.430 1.00 0.00 C ATOM 728 CG GLU A 49 -4.602 -10.751 -6.676 1.00 0.00 C ATOM 729 CD GLU A 49 -5.148 -12.174 -6.540 1.00 0.00 C ATOM 730 OE1 GLU A 49 -6.161 -12.339 -5.881 1.00 0.00 O ATOM 731 OE2 GLU A 49 -4.544 -13.074 -7.099 1.00 0.00 O ATOM 0 H GLU A 49 -2.481 -8.651 -4.185 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.106 -8.702 -5.417 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.775 -10.122 -5.709 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.723 -11.256 -4.768 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.423 -10.046 -6.804 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.975 -10.674 -7.564 1.00 0.00 H new ATOM 738 N ALA A 50 -4.654 -10.302 -2.536 1.00 0.00 N ATOM 739 CA ALA A 50 -5.417 -10.791 -1.352 1.00 0.00 C ATOM 740 C ALA A 50 -6.397 -9.687 -0.973 1.00 0.00 C ATOM 741 O ALA A 50 -7.575 -9.913 -0.790 1.00 0.00 O ATOM 742 CB ALA A 50 -4.458 -11.062 -0.191 1.00 0.00 C ATOM 0 H ALA A 50 -3.643 -10.433 -2.490 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.942 -11.719 -1.578 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.022 -11.419 0.671 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.732 -11.818 -0.488 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.936 -10.142 0.072 1.00 0.00 H new ATOM 748 N ILE A 51 -5.908 -8.479 -0.925 1.00 0.00 N ATOM 749 CA ILE A 51 -6.784 -7.313 -0.639 1.00 0.00 C ATOM 750 C ILE A 51 -7.719 -7.160 -1.839 1.00 0.00 C ATOM 751 O ILE A 51 -7.277 -6.785 -2.907 1.00 0.00 O ATOM 752 CB ILE A 51 -5.937 -6.049 -0.480 1.00 0.00 C ATOM 753 CG1 ILE A 51 -5.156 -6.119 0.835 1.00 0.00 C ATOM 754 CG2 ILE A 51 -6.850 -4.822 -0.463 1.00 0.00 C ATOM 755 CD1 ILE A 51 -4.072 -5.040 0.844 1.00 0.00 C ATOM 0 H ILE A 51 -4.925 -8.249 -1.074 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.345 -7.463 0.283 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.240 -5.973 -1.314 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.831 -5.978 1.679 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.704 -7.104 0.950 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.247 -3.921 -0.350 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.407 -4.770 -1.398 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.547 -4.899 0.371 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.516 -5.090 1.780 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.391 -5.202 0.009 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.535 -4.058 0.749 1.00 0.00 H new ATOM 767 N PRO A 52 -8.966 -7.508 -1.664 1.00 0.00 N ATOM 768 CA PRO A 52 -9.938 -7.471 -2.767 1.00 0.00 C ATOM 769 C PRO A 52 -10.088 -6.058 -3.319 1.00 0.00 C ATOM 770 O PRO A 52 -10.099 -5.087 -2.587 1.00 0.00 O ATOM 771 CB PRO A 52 -11.226 -8.019 -2.141 1.00 0.00 C ATOM 772 CG PRO A 52 -11.060 -7.860 -0.616 1.00 0.00 C ATOM 773 CD PRO A 52 -9.541 -7.896 -0.360 1.00 0.00 C ATOM 0 HA PRO A 52 -9.637 -8.062 -3.632 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.097 -7.470 -2.498 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.376 -9.065 -2.410 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.494 -6.922 -0.270 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.567 -8.663 -0.080 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.250 -7.203 0.430 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.208 -8.888 -0.053 1.00 0.00 H new ATOM 781 N ALA A 53 -10.171 -5.955 -4.621 1.00 0.00 N ATOM 782 CA ALA A 53 -10.293 -4.631 -5.293 1.00 0.00 C ATOM 783 C ALA A 53 -11.075 -3.651 -4.417 1.00 0.00 C ATOM 784 O ALA A 53 -10.811 -2.466 -4.409 1.00 0.00 O ATOM 785 CB ALA A 53 -11.016 -4.815 -6.624 1.00 0.00 C ATOM 0 H ALA A 53 -10.159 -6.752 -5.258 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.296 -4.224 -5.460 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.110 -3.851 -7.123 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.447 -5.497 -7.256 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.008 -5.229 -6.445 1.00 0.00 H new ATOM 791 N TYR A 54 -12.031 -4.136 -3.678 1.00 0.00 N ATOM 792 CA TYR A 54 -12.821 -3.228 -2.804 1.00 0.00 C ATOM 793 C TYR A 54 -11.920 -2.673 -1.697 1.00 0.00 C ATOM 794 O TYR A 54 -11.338 -3.413 -0.931 1.00 0.00 O ATOM 795 CB TYR A 54 -13.977 -4.010 -2.178 1.00 0.00 C ATOM 796 CG TYR A 54 -15.246 -3.732 -2.946 1.00 0.00 C ATOM 797 CD1 TYR A 54 -15.796 -2.443 -2.945 1.00 0.00 C ATOM 798 CD2 TYR A 54 -15.873 -4.760 -3.658 1.00 0.00 C ATOM 799 CE1 TYR A 54 -16.972 -2.185 -3.657 1.00 0.00 C ATOM 800 CE2 TYR A 54 -17.050 -4.501 -4.371 1.00 0.00 C ATOM 801 CZ TYR A 54 -17.599 -3.214 -4.370 1.00 0.00 C ATOM 802 OH TYR A 54 -18.760 -2.960 -5.071 1.00 0.00 O ATOM 0 H TYR A 54 -12.299 -5.119 -3.641 1.00 0.00 H new ATOM 0 HA TYR A 54 -13.216 -2.403 -3.396 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -13.757 -5.078 -2.191 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -14.101 -3.723 -1.134 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -15.312 -1.649 -2.395 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -15.449 -5.753 -3.658 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -17.396 -1.192 -3.657 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -17.534 -5.294 -4.921 1.00 0.00 H new ATOM 0 HH TYR A 54 -19.063 -3.782 -5.510 1.00 0.00 H new ATOM 812 N CYS A 55 -11.815 -1.373 -1.606 1.00 0.00 N ATOM 813 CA CYS A 55 -10.970 -0.749 -0.544 1.00 0.00 C ATOM 814 C CYS A 55 -9.469 -0.918 -0.857 1.00 0.00 C ATOM 815 O CYS A 55 -8.639 -0.695 0.000 1.00 0.00 O ATOM 816 CB CYS A 55 -11.282 -1.401 0.808 1.00 0.00 C ATOM 817 SG CYS A 55 -13.073 -1.393 1.081 1.00 0.00 S ATOM 0 H CYS A 55 -12.282 -0.712 -2.226 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.198 0.316 -0.508 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -10.905 -2.423 0.827 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -10.778 -0.861 1.610 1.00 0.00 H new ATOM 822 N ARG A 56 -9.101 -1.306 -2.065 1.00 0.00 N ATOM 823 CA ARG A 56 -7.644 -1.468 -2.379 1.00 0.00 C ATOM 824 C ARG A 56 -6.858 -0.310 -1.755 1.00 0.00 C ATOM 825 O ARG A 56 -6.374 -0.422 -0.651 1.00 0.00 O ATOM 826 CB ARG A 56 -7.430 -1.462 -3.894 1.00 0.00 C ATOM 827 CG ARG A 56 -7.795 -2.832 -4.469 1.00 0.00 C ATOM 828 CD ARG A 56 -6.534 -3.693 -4.604 1.00 0.00 C ATOM 829 NE ARG A 56 -6.827 -4.880 -5.467 1.00 0.00 N ATOM 830 CZ ARG A 56 -7.025 -4.729 -6.749 1.00 0.00 C ATOM 831 NH1 ARG A 56 -6.633 -3.639 -7.353 1.00 0.00 N ATOM 832 NH2 ARG A 56 -7.618 -5.672 -7.428 1.00 0.00 N ATOM 0 H ARG A 56 -9.740 -1.513 -2.833 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.295 -2.417 -1.971 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.043 -0.688 -4.355 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.391 -1.225 -4.124 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.517 -3.328 -3.820 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.271 -2.713 -5.442 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.725 -3.106 -5.038 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.198 -4.020 -3.620 1.00 0.00 H new ATOM 0 HE ARG A 56 -6.872 -5.811 -5.052 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.170 -2.901 -6.823 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.790 -3.526 -8.354 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.925 -6.523 -6.957 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.775 -5.558 -8.429 1.00 0.00 H new ATOM 846 N CYS A 57 -6.731 0.797 -2.460 1.00 0.00 N ATOM 847 CA CYS A 57 -5.978 1.983 -1.912 1.00 0.00 C ATOM 848 C CYS A 57 -5.954 1.995 -0.367 1.00 0.00 C ATOM 849 O CYS A 57 -4.909 2.171 0.224 1.00 0.00 O ATOM 850 CB CYS A 57 -6.624 3.283 -2.407 1.00 0.00 C ATOM 851 SG CYS A 57 -5.984 3.748 -4.045 1.00 0.00 S ATOM 0 H CYS A 57 -7.117 0.931 -3.394 1.00 0.00 H new ATOM 0 HA CYS A 57 -4.951 1.905 -2.268 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -7.706 3.159 -2.457 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -6.428 4.085 -1.695 1.00 0.00 H new ATOM 856 N GLU A 58 -7.091 1.833 0.282 1.00 0.00 N ATOM 857 CA GLU A 58 -7.152 1.849 1.783 1.00 0.00 C ATOM 858 C GLU A 58 -5.813 1.437 2.412 1.00 0.00 C ATOM 859 O GLU A 58 -5.306 2.109 3.285 1.00 0.00 O ATOM 860 CB GLU A 58 -8.242 0.882 2.246 1.00 0.00 C ATOM 861 CG GLU A 58 -8.828 1.371 3.572 1.00 0.00 C ATOM 862 CD GLU A 58 -10.050 0.527 3.935 1.00 0.00 C ATOM 863 OE1 GLU A 58 -9.877 -0.653 4.187 1.00 0.00 O ATOM 864 OE2 GLU A 58 -11.141 1.077 3.956 1.00 0.00 O ATOM 0 H GLU A 58 -7.992 1.688 -0.175 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.375 2.867 2.103 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.027 0.814 1.492 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.828 -0.119 2.366 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.078 1.301 4.360 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.109 2.421 3.492 1.00 0.00 H new ATOM 871 N ALA A 59 -5.243 0.341 1.986 1.00 0.00 N ATOM 872 CA ALA A 59 -3.940 -0.107 2.571 1.00 0.00 C ATOM 873 C ALA A 59 -3.018 1.097 2.780 1.00 0.00 C ATOM 874 O ALA A 59 -2.601 1.402 3.885 1.00 0.00 O ATOM 875 CB ALA A 59 -3.273 -1.097 1.614 1.00 0.00 C ATOM 0 H ALA A 59 -5.622 -0.265 1.258 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.123 -0.587 3.533 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.323 -1.427 2.035 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.925 -1.959 1.470 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.095 -0.612 0.654 1.00 0.00 H new ATOM 881 N VAL A 60 -2.696 1.779 1.724 1.00 0.00 N ATOM 882 CA VAL A 60 -1.805 2.966 1.836 1.00 0.00 C ATOM 883 C VAL A 60 -2.357 3.918 2.902 1.00 0.00 C ATOM 884 O VAL A 60 -1.618 4.501 3.669 1.00 0.00 O ATOM 885 CB VAL A 60 -1.756 3.686 0.487 1.00 0.00 C ATOM 886 CG1 VAL A 60 -0.748 4.834 0.554 1.00 0.00 C ATOM 887 CG2 VAL A 60 -1.327 2.700 -0.600 1.00 0.00 C ATOM 0 H VAL A 60 -3.013 1.566 0.778 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.802 2.647 2.119 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.744 4.083 0.253 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.715 5.346 -0.408 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.050 5.538 1.329 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.240 4.438 0.789 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.292 3.212 -1.562 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.339 2.304 -0.363 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.044 1.880 -0.651 1.00 0.00 H new ATOM 897 N ARG A 61 -3.651 4.081 2.948 1.00 0.00 N ATOM 898 CA ARG A 61 -4.259 4.999 3.956 1.00 0.00 C ATOM 899 C ARG A 61 -3.951 4.504 5.373 1.00 0.00 C ATOM 900 O ARG A 61 -3.803 5.282 6.289 1.00 0.00 O ATOM 901 CB ARG A 61 -5.777 5.039 3.756 1.00 0.00 C ATOM 902 CG ARG A 61 -6.252 6.493 3.714 1.00 0.00 C ATOM 903 CD ARG A 61 -7.416 6.679 4.690 1.00 0.00 C ATOM 904 NE ARG A 61 -8.348 7.715 4.161 1.00 0.00 N ATOM 905 CZ ARG A 61 -9.529 7.371 3.726 1.00 0.00 C ATOM 906 NH1 ARG A 61 -10.510 7.191 4.568 1.00 0.00 N ATOM 907 NH2 ARG A 61 -9.731 7.207 2.447 1.00 0.00 N ATOM 0 H ARG A 61 -4.316 3.617 2.330 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.840 5.997 3.826 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.045 4.532 2.829 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.275 4.507 4.567 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.433 7.162 3.977 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.566 6.755 2.704 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.944 5.735 4.827 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.040 6.978 5.668 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.062 8.694 4.139 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.354 7.319 5.568 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.433 6.922 4.226 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.966 7.348 1.788 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.654 6.938 2.107 1.00 0.00 H new ATOM 921 N ILE A 62 -3.866 3.219 5.566 1.00 0.00 N ATOM 922 CA ILE A 62 -3.580 2.685 6.930 1.00 0.00 C ATOM 923 C ILE A 62 -2.098 2.840 7.253 1.00 0.00 C ATOM 924 O ILE A 62 -1.719 2.957 8.402 1.00 0.00 O ATOM 925 CB ILE A 62 -3.958 1.202 6.988 1.00 0.00 C ATOM 926 CG1 ILE A 62 -5.479 1.066 7.068 1.00 0.00 C ATOM 927 CG2 ILE A 62 -3.323 0.550 8.222 1.00 0.00 C ATOM 928 CD1 ILE A 62 -5.874 -0.382 6.778 1.00 0.00 C ATOM 0 H ILE A 62 -3.982 2.513 4.839 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.166 3.244 7.660 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.592 0.704 6.090 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.830 1.359 8.057 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.953 1.735 6.350 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.596 -0.505 8.257 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.238 0.643 8.165 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.683 1.048 9.122 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -6.958 -0.482 6.834 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.536 -0.658 5.779 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -5.410 -1.040 7.513 1.00 0.00 H new ATOM 940 N LEU A 63 -1.248 2.831 6.270 1.00 0.00 N ATOM 941 CA LEU A 63 0.198 2.972 6.576 1.00 0.00 C ATOM 942 C LEU A 63 0.516 4.433 6.887 1.00 0.00 C ATOM 943 O LEU A 63 1.188 4.739 7.851 1.00 0.00 O ATOM 944 CB LEU A 63 1.035 2.501 5.388 1.00 0.00 C ATOM 945 CG LEU A 63 2.519 2.612 5.740 1.00 0.00 C ATOM 946 CD1 LEU A 63 3.222 1.292 5.415 1.00 0.00 C ATOM 947 CD2 LEU A 63 3.153 3.741 4.924 1.00 0.00 C ATOM 0 H LEU A 63 -1.486 2.734 5.283 1.00 0.00 H new ATOM 0 HA LEU A 63 0.440 2.357 7.443 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.785 1.470 5.138 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.812 3.105 4.509 1.00 0.00 H new ATOM 0 HG LEU A 63 2.625 2.827 6.803 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.280 1.372 5.666 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.771 0.487 5.995 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.117 1.076 4.352 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.211 3.821 5.174 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.047 3.525 3.861 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.653 4.682 5.155 1.00 0.00 H new ATOM 959 N MET A 64 0.042 5.341 6.082 1.00 0.00 N ATOM 960 CA MET A 64 0.327 6.774 6.341 1.00 0.00 C ATOM 961 C MET A 64 -0.566 7.287 7.476 1.00 0.00 C ATOM 962 O MET A 64 -0.093 7.890 8.419 1.00 0.00 O ATOM 963 CB MET A 64 0.047 7.580 5.070 1.00 0.00 C ATOM 964 CG MET A 64 0.286 9.065 5.345 1.00 0.00 C ATOM 965 SD MET A 64 2.046 9.349 5.655 1.00 0.00 S ATOM 966 CE MET A 64 1.864 10.165 7.259 1.00 0.00 C ATOM 0 H MET A 64 -0.529 5.151 5.258 1.00 0.00 H new ATOM 0 HA MET A 64 1.372 6.888 6.629 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.694 7.240 4.261 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.981 7.420 4.744 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.044 9.661 4.494 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.302 9.385 6.206 1.00 0.00 H new ATOM 0 HE1 MET A 64 2.698 10.849 7.416 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.928 10.723 7.279 1.00 0.00 H new ATOM 0 HE3 MET A 64 1.856 9.415 8.050 1.00 0.00 H new ATOM 976 N ASP A 65 -1.851 7.058 7.400 1.00 0.00 N ATOM 977 CA ASP A 65 -2.749 7.545 8.489 1.00 0.00 C ATOM 978 C ASP A 65 -2.695 6.586 9.684 1.00 0.00 C ATOM 979 O ASP A 65 -3.028 6.954 10.794 1.00 0.00 O ATOM 980 CB ASP A 65 -4.206 7.730 7.995 1.00 0.00 C ATOM 981 CG ASP A 65 -4.316 9.064 7.255 1.00 0.00 C ATOM 982 OD1 ASP A 65 -3.284 9.614 6.906 1.00 0.00 O ATOM 983 OD2 ASP A 65 -5.431 9.515 7.053 1.00 0.00 O ATOM 0 H ASP A 65 -2.314 6.560 6.640 1.00 0.00 H new ATOM 0 HA ASP A 65 -2.392 8.525 8.805 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.487 6.909 7.335 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.895 7.710 8.839 1.00 0.00 H new ATOM 988 N GLY A 66 -2.291 5.358 9.474 1.00 0.00 N ATOM 989 CA GLY A 66 -2.237 4.393 10.606 1.00 0.00 C ATOM 990 C GLY A 66 -3.614 3.746 10.794 1.00 0.00 C ATOM 991 O GLY A 66 -4.635 4.328 10.485 1.00 0.00 O ATOM 0 H GLY A 66 -1.998 4.986 8.570 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.487 3.627 10.409 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.936 4.905 11.520 1.00 0.00 H new ATOM 995 N VAL A 67 -3.644 2.543 11.298 1.00 0.00 N ATOM 996 CA VAL A 67 -4.944 1.841 11.511 1.00 0.00 C ATOM 997 C VAL A 67 -5.138 1.579 13.008 1.00 0.00 C ATOM 998 O VAL A 67 -4.194 1.565 13.775 1.00 0.00 O ATOM 999 CB VAL A 67 -4.948 0.510 10.752 1.00 0.00 C ATOM 1000 CG1 VAL A 67 -3.614 -0.207 10.961 1.00 0.00 C ATOM 1001 CG2 VAL A 67 -6.087 -0.376 11.267 1.00 0.00 C ATOM 0 H VAL A 67 -2.818 2.011 11.574 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.757 2.465 11.139 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.093 0.706 9.690 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.621 -1.153 10.420 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.803 0.418 10.589 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.466 -0.398 12.024 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.086 -1.321 10.725 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.946 -0.568 12.331 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.040 0.130 11.113 1.00 0.00 H new ATOM 1011 N VAL A 68 -6.359 1.392 13.431 1.00 0.00 N ATOM 1012 CA VAL A 68 -6.623 1.157 14.878 1.00 0.00 C ATOM 1013 C VAL A 68 -7.208 -0.243 15.085 1.00 0.00 C ATOM 1014 O VAL A 68 -7.745 -0.854 14.183 1.00 0.00 O ATOM 1015 CB VAL A 68 -7.600 2.215 15.403 1.00 0.00 C ATOM 1016 CG1 VAL A 68 -8.232 1.742 16.719 1.00 0.00 C ATOM 1017 CG2 VAL A 68 -6.839 3.519 15.653 1.00 0.00 C ATOM 0 H VAL A 68 -7.186 1.392 12.835 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.685 1.231 15.428 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.386 2.374 14.665 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.924 2.501 17.084 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.771 0.810 16.549 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.450 1.579 17.460 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.528 4.276 16.027 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.054 3.347 16.390 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.392 3.864 14.721 1.00 0.00 H new ATOM 1027 N THR A 69 -7.083 -0.749 16.279 1.00 0.00 N ATOM 1028 CA THR A 69 -7.593 -2.110 16.595 1.00 0.00 C ATOM 1029 C THR A 69 -8.689 -2.003 17.654 1.00 0.00 C ATOM 1030 O THR A 69 -8.786 -1.024 18.367 1.00 0.00 O ATOM 1031 CB THR A 69 -6.448 -2.976 17.126 1.00 0.00 C ATOM 1032 OG1 THR A 69 -5.778 -2.293 18.180 1.00 0.00 O ATOM 1033 CG2 THR A 69 -5.458 -3.264 15.997 1.00 0.00 C ATOM 0 H THR A 69 -6.641 -0.268 17.062 1.00 0.00 H new ATOM 0 HA THR A 69 -8.000 -2.567 15.693 1.00 0.00 H new ATOM 0 HB THR A 69 -6.853 -3.915 17.504 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.657 -1.352 17.935 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.643 -3.881 16.376 1.00 0.00 H new ATOM 0 HG22 THR A 69 -5.968 -3.792 15.192 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.056 -2.325 15.617 1.00 0.00 H new ATOM 1041 N SER A 70 -9.525 -2.995 17.744 1.00 0.00 N ATOM 1042 CA SER A 70 -10.633 -2.962 18.740 1.00 0.00 C ATOM 1043 C SER A 70 -10.058 -2.961 20.152 1.00 0.00 C ATOM 1044 O SER A 70 -10.607 -2.374 21.063 1.00 0.00 O ATOM 1045 CB SER A 70 -11.521 -4.191 18.549 1.00 0.00 C ATOM 1046 OG SER A 70 -12.703 -4.043 19.324 1.00 0.00 O ATOM 0 H SER A 70 -9.490 -3.835 17.167 1.00 0.00 H new ATOM 0 HA SER A 70 -11.224 -2.058 18.595 1.00 0.00 H new ATOM 0 HB2 SER A 70 -11.776 -4.309 17.496 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.985 -5.091 18.851 1.00 0.00 H new ATOM 0 HG SER A 70 -13.275 -4.829 19.202 1.00 0.00 H new ATOM 1052 N SER A 71 -8.954 -3.612 20.333 1.00 0.00 N ATOM 1053 CA SER A 71 -8.324 -3.657 21.680 1.00 0.00 C ATOM 1054 C SER A 71 -7.884 -2.249 22.081 1.00 0.00 C ATOM 1055 O SER A 71 -7.575 -1.987 23.226 1.00 0.00 O ATOM 1056 CB SER A 71 -7.107 -4.581 21.641 1.00 0.00 C ATOM 1057 OG SER A 71 -6.406 -4.382 20.421 1.00 0.00 O ATOM 0 H SER A 71 -8.453 -4.120 19.604 1.00 0.00 H new ATOM 0 HA SER A 71 -9.043 -4.034 22.407 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.452 -4.375 22.488 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.422 -5.621 21.727 1.00 0.00 H new ATOM 0 HG SER A 71 -5.624 -4.972 20.393 1.00 0.00 H new ATOM 1063 N GLY A 72 -7.848 -1.344 21.143 1.00 0.00 N ATOM 1064 CA GLY A 72 -7.423 0.046 21.469 1.00 0.00 C ATOM 1065 C GLY A 72 -5.958 0.230 21.063 1.00 0.00 C ATOM 1066 O GLY A 72 -5.343 1.231 21.369 1.00 0.00 O ATOM 0 H GLY A 72 -8.094 -1.506 20.166 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -8.052 0.765 20.943 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.544 0.236 22.535 1.00 0.00 H new ATOM 1070 N GLN A 73 -5.384 -0.733 20.381 1.00 0.00 N ATOM 1071 CA GLN A 73 -3.957 -0.600 19.974 1.00 0.00 C ATOM 1072 C GLN A 73 -3.870 0.045 18.589 1.00 0.00 C ATOM 1073 O GLN A 73 -4.793 -0.017 17.809 1.00 0.00 O ATOM 1074 CB GLN A 73 -3.308 -1.984 19.935 1.00 0.00 C ATOM 1075 CG GLN A 73 -3.028 -2.457 21.362 1.00 0.00 C ATOM 1076 CD GLN A 73 -2.064 -3.645 21.325 1.00 0.00 C ATOM 1077 OE1 GLN A 73 -2.087 -4.430 20.398 1.00 0.00 O ATOM 1078 NE2 GLN A 73 -1.211 -3.811 22.299 1.00 0.00 N ATOM 0 H GLN A 73 -5.842 -1.598 20.092 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.434 0.028 20.695 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.965 -2.691 19.429 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.380 -1.946 19.364 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -2.599 -1.645 21.948 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -3.959 -2.745 21.850 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -1.191 -3.152 23.077 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -0.564 -4.599 22.282 1.00 0.00 H new ATOM 1087 N HIS A 74 -2.767 0.661 18.275 1.00 0.00 N ATOM 1088 CA HIS A 74 -2.626 1.303 16.946 1.00 0.00 C ATOM 1089 C HIS A 74 -1.506 0.601 16.182 1.00 0.00 C ATOM 1090 O HIS A 74 -0.634 -0.011 16.765 1.00 0.00 O ATOM 1091 CB HIS A 74 -2.258 2.770 17.125 1.00 0.00 C ATOM 1092 CG HIS A 74 -3.479 3.567 17.493 1.00 0.00 C ATOM 1093 ND1 HIS A 74 -4.592 3.257 18.237 1.00 0.00 N flip ATOM 1094 CD2 HIS A 74 -3.653 4.879 17.082 1.00 0.00 C flip ATOM 1095 CE1 HIS A 74 -5.442 4.357 18.288 1.00 0.00 C flip ATOM 1096 NE2 HIS A 74 -4.830 5.305 17.577 1.00 0.00 N flip ATOM 0 H HIS A 74 -1.955 0.747 18.886 1.00 0.00 H new ATOM 0 HA HIS A 74 -3.565 1.228 16.398 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -1.500 2.871 17.902 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -1.824 3.159 16.204 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -2.969 5.454 16.475 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -6.393 4.428 18.795 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -5.208 6.240 17.426 1.00 0.00 H new ATOM 1104 N GLU A 75 -1.528 0.670 14.884 1.00 0.00 N ATOM 1105 CA GLU A 75 -0.464 -0.011 14.095 1.00 0.00 C ATOM 1106 C GLU A 75 -0.088 0.832 12.876 1.00 0.00 C ATOM 1107 O GLU A 75 -0.613 1.907 12.662 1.00 0.00 O ATOM 1108 CB GLU A 75 -0.974 -1.376 13.632 1.00 0.00 C ATOM 1109 CG GLU A 75 -1.751 -2.043 14.770 1.00 0.00 C ATOM 1110 CD GLU A 75 -1.597 -3.561 14.674 1.00 0.00 C ATOM 1111 OE1 GLU A 75 -0.740 -4.004 13.927 1.00 0.00 O ATOM 1112 OE2 GLU A 75 -2.338 -4.255 15.350 1.00 0.00 O ATOM 0 H GLU A 75 -2.231 1.165 14.335 1.00 0.00 H new ATOM 0 HA GLU A 75 0.418 -0.138 14.722 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.616 -1.259 12.759 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.137 -2.006 13.331 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.381 -1.690 15.733 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.805 -1.770 14.714 1.00 0.00 H new ATOM 1119 N GLY A 76 0.824 0.348 12.077 1.00 0.00 N ATOM 1120 CA GLY A 76 1.247 1.113 10.872 1.00 0.00 C ATOM 1121 C GLY A 76 1.625 2.536 11.281 1.00 0.00 C ATOM 1122 O GLY A 76 2.184 2.764 12.335 1.00 0.00 O ATOM 0 H GLY A 76 1.295 -0.547 12.208 1.00 0.00 H new ATOM 0 HA2 GLY A 76 2.096 0.622 10.396 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.440 1.136 10.140 1.00 0.00 H new ATOM 1126 N ARG A 77 1.313 3.493 10.456 1.00 0.00 N ATOM 1127 CA ARG A 77 1.641 4.909 10.792 1.00 0.00 C ATOM 1128 C ARG A 77 3.147 5.058 11.053 1.00 0.00 C ATOM 1129 O ARG A 77 3.589 6.036 11.619 1.00 0.00 O ATOM 1130 CB ARG A 77 0.868 5.316 12.048 1.00 0.00 C ATOM 1131 CG ARG A 77 0.375 6.758 11.906 1.00 0.00 C ATOM 1132 CD ARG A 77 -0.802 6.985 12.858 1.00 0.00 C ATOM 1133 NE ARG A 77 -0.376 7.874 13.975 1.00 0.00 N ATOM 1134 CZ ARG A 77 0.186 9.023 13.718 1.00 0.00 C ATOM 1135 NH1 ARG A 77 0.038 9.575 12.545 1.00 0.00 N ATOM 1136 NH2 ARG A 77 0.893 9.621 14.636 1.00 0.00 N ATOM 0 H ARG A 77 0.844 3.358 9.560 1.00 0.00 H new ATOM 0 HA ARG A 77 1.362 5.549 9.955 1.00 0.00 H new ATOM 0 HB2 ARG A 77 0.022 4.646 12.199 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.508 5.225 12.926 1.00 0.00 H new ATOM 0 HG2 ARG A 77 1.182 7.455 12.134 1.00 0.00 H new ATOM 0 HG3 ARG A 77 0.069 6.950 10.878 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -1.637 7.434 12.320 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -1.153 6.031 13.252 1.00 0.00 H new ATOM 0 HE ARG A 77 -0.524 7.584 14.942 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -0.517 9.108 11.828 1.00 0.00 H new ATOM 0 HH12 ARG A 77 0.478 10.473 12.345 1.00 0.00 H new ATOM 0 HH21 ARG A 77 1.006 9.190 15.554 1.00 0.00 H new ATOM 0 HH22 ARG A 77 1.333 10.519 14.436 1.00 0.00 H new ATOM 1150 N LEU A 78 3.939 4.096 10.654 1.00 0.00 N ATOM 1151 CA LEU A 78 5.408 4.196 10.893 1.00 0.00 C ATOM 1152 C LEU A 78 6.074 5.001 9.772 1.00 0.00 C ATOM 1153 O LEU A 78 7.225 5.375 9.877 1.00 0.00 O ATOM 1154 CB LEU A 78 6.017 2.792 10.951 1.00 0.00 C ATOM 1155 CG LEU A 78 6.413 2.469 12.393 1.00 0.00 C ATOM 1156 CD1 LEU A 78 5.155 2.331 13.253 1.00 0.00 C ATOM 1157 CD2 LEU A 78 7.195 1.154 12.423 1.00 0.00 C ATOM 0 H LEU A 78 3.633 3.249 10.175 1.00 0.00 H new ATOM 0 HA LEU A 78 5.577 4.705 11.842 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.300 2.057 10.586 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.890 2.735 10.301 1.00 0.00 H new ATOM 0 HG LEU A 78 7.034 3.274 12.786 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.440 2.101 14.280 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.596 3.266 13.232 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.532 1.527 12.860 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.478 0.922 13.450 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.572 0.351 12.028 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.093 1.250 11.812 1.00 0.00 H new ATOM 1169 N LEU A 79 5.368 5.280 8.703 1.00 0.00 N ATOM 1170 CA LEU A 79 5.973 6.068 7.594 1.00 0.00 C ATOM 1171 C LEU A 79 6.770 7.230 8.185 1.00 0.00 C ATOM 1172 O LEU A 79 6.225 8.267 8.506 1.00 0.00 O ATOM 1173 CB LEU A 79 4.856 6.615 6.700 1.00 0.00 C ATOM 1174 CG LEU A 79 5.405 6.918 5.305 1.00 0.00 C ATOM 1175 CD1 LEU A 79 6.391 8.086 5.387 1.00 0.00 C ATOM 1176 CD2 LEU A 79 6.121 5.681 4.760 1.00 0.00 C ATOM 0 H LEU A 79 4.400 4.995 8.554 1.00 0.00 H new ATOM 0 HA LEU A 79 6.635 5.434 7.004 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.045 5.889 6.631 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.437 7.520 7.140 1.00 0.00 H new ATOM 0 HG LEU A 79 4.583 7.184 4.640 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.782 8.302 4.393 1.00 0.00 H new ATOM 0 HD12 LEU A 79 5.880 8.967 5.775 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.214 7.822 6.051 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.513 5.896 3.766 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.943 5.414 5.424 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.418 4.850 4.701 1.00 0.00 H new ATOM 1188 N GLN A 80 8.056 7.064 8.344 1.00 0.00 N ATOM 1189 CA GLN A 80 8.872 8.163 8.931 1.00 0.00 C ATOM 1190 C GLN A 80 10.247 8.222 8.267 1.00 0.00 C ATOM 1191 O GLN A 80 10.565 7.458 7.377 1.00 0.00 O ATOM 1192 CB GLN A 80 9.040 7.924 10.433 1.00 0.00 C ATOM 1193 CG GLN A 80 7.673 8.010 11.117 1.00 0.00 C ATOM 1194 CD GLN A 80 7.813 7.629 12.592 1.00 0.00 C ATOM 1195 OE1 GLN A 80 8.910 7.538 13.106 1.00 0.00 O ATOM 1196 NE2 GLN A 80 6.740 7.400 13.299 1.00 0.00 N ATOM 0 H GLN A 80 8.573 6.221 8.094 1.00 0.00 H new ATOM 0 HA GLN A 80 8.361 9.111 8.762 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.486 6.945 10.609 1.00 0.00 H new ATOM 0 HB3 GLN A 80 9.718 8.665 10.857 1.00 0.00 H new ATOM 0 HG2 GLN A 80 7.273 9.020 11.028 1.00 0.00 H new ATOM 0 HG3 GLN A 80 6.966 7.343 10.624 1.00 0.00 H new ATOM 0 HE21 GLN A 80 5.819 7.476 12.867 1.00 0.00 H new ATOM 0 HE22 GLN A 80 6.823 7.145 14.283 1.00 0.00 H new ATOM 1205 N ASP A 81 11.049 9.155 8.690 1.00 0.00 N ATOM 1206 CA ASP A 81 12.405 9.330 8.099 1.00 0.00 C ATOM 1207 C ASP A 81 13.318 8.139 8.416 1.00 0.00 C ATOM 1208 O ASP A 81 13.739 7.935 9.538 1.00 0.00 O ATOM 1209 CB ASP A 81 13.037 10.605 8.665 1.00 0.00 C ATOM 1210 CG ASP A 81 12.237 11.822 8.196 1.00 0.00 C ATOM 1211 OD1 ASP A 81 11.021 11.771 8.269 1.00 0.00 O ATOM 1212 OD2 ASP A 81 12.856 12.784 7.771 1.00 0.00 O ATOM 0 H ASP A 81 10.820 9.816 9.433 1.00 0.00 H new ATOM 0 HA ASP A 81 12.296 9.398 7.017 1.00 0.00 H new ATOM 0 HB2 ASP A 81 13.052 10.564 9.754 1.00 0.00 H new ATOM 0 HB3 ASP A 81 14.073 10.688 8.335 1.00 0.00 H new ATOM 1217 N LEU A 82 13.657 7.387 7.408 1.00 0.00 N ATOM 1218 CA LEU A 82 14.582 6.233 7.574 1.00 0.00 C ATOM 1219 C LEU A 82 16.002 6.752 7.310 1.00 0.00 C ATOM 1220 O LEU A 82 16.157 7.883 6.892 1.00 0.00 O ATOM 1221 CB LEU A 82 14.197 5.154 6.552 1.00 0.00 C ATOM 1222 CG LEU A 82 13.021 4.337 7.095 1.00 0.00 C ATOM 1223 CD1 LEU A 82 12.415 3.491 5.974 1.00 0.00 C ATOM 1224 CD2 LEU A 82 13.517 3.414 8.210 1.00 0.00 C ATOM 0 H LEU A 82 13.324 7.527 6.454 1.00 0.00 H new ATOM 0 HA LEU A 82 14.526 5.801 8.573 1.00 0.00 H new ATOM 0 HB2 LEU A 82 13.926 5.616 5.603 1.00 0.00 H new ATOM 0 HB3 LEU A 82 15.048 4.502 6.357 1.00 0.00 H new ATOM 0 HG LEU A 82 12.263 5.016 7.486 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.579 2.912 6.366 1.00 0.00 H new ATOM 0 HD12 LEU A 82 12.061 4.144 5.176 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.172 2.813 5.580 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.682 2.831 8.598 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.276 2.740 7.814 1.00 0.00 H new ATOM 0 HD23 LEU A 82 13.947 4.012 9.013 1.00 0.00 H new ATOM 1236 N PRO A 83 17.004 5.944 7.553 1.00 0.00 N ATOM 1237 CA PRO A 83 18.398 6.372 7.334 1.00 0.00 C ATOM 1238 C PRO A 83 18.679 6.576 5.843 1.00 0.00 C ATOM 1239 O PRO A 83 18.903 5.639 5.100 1.00 0.00 O ATOM 1240 CB PRO A 83 19.232 5.238 7.943 1.00 0.00 C ATOM 1241 CG PRO A 83 18.306 4.004 7.998 1.00 0.00 C ATOM 1242 CD PRO A 83 16.866 4.551 8.040 1.00 0.00 C ATOM 0 HA PRO A 83 18.632 7.333 7.793 1.00 0.00 H new ATOM 0 HB2 PRO A 83 20.115 5.035 7.337 1.00 0.00 H new ATOM 0 HB3 PRO A 83 19.584 5.505 8.939 1.00 0.00 H new ATOM 0 HG2 PRO A 83 18.455 3.366 7.127 1.00 0.00 H new ATOM 0 HG3 PRO A 83 18.518 3.397 8.878 1.00 0.00 H new ATOM 0 HD2 PRO A 83 16.198 3.969 7.405 1.00 0.00 H new ATOM 0 HD3 PRO A 83 16.455 4.519 9.049 1.00 0.00 H new ATOM 1250 N GLY A 84 18.665 7.811 5.408 1.00 0.00 N ATOM 1251 CA GLY A 84 18.925 8.119 3.972 1.00 0.00 C ATOM 1252 C GLY A 84 17.606 8.134 3.191 1.00 0.00 C ATOM 1253 O GLY A 84 17.603 8.139 1.977 1.00 0.00 O ATOM 0 H GLY A 84 18.483 8.626 5.994 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.421 9.086 3.883 1.00 0.00 H new ATOM 0 HA3 GLY A 84 19.599 7.375 3.548 1.00 0.00 H new ATOM 1257 N CYS A 85 16.482 8.144 3.868 1.00 0.00 N ATOM 1258 CA CYS A 85 15.176 8.153 3.140 1.00 0.00 C ATOM 1259 C CYS A 85 14.177 9.035 3.903 1.00 0.00 C ATOM 1260 O CYS A 85 13.505 8.552 4.783 1.00 0.00 O ATOM 1261 CB CYS A 85 14.616 6.731 3.084 1.00 0.00 C ATOM 1262 SG CYS A 85 15.963 5.547 2.848 1.00 0.00 S ATOM 0 H CYS A 85 16.414 8.146 4.886 1.00 0.00 H new ATOM 0 HA CYS A 85 15.329 8.538 2.132 1.00 0.00 H new ATOM 0 HB2 CYS A 85 14.080 6.506 4.006 1.00 0.00 H new ATOM 0 HB3 CYS A 85 13.898 6.646 2.268 1.00 0.00 H new ATOM 1267 N PRO A 86 14.100 10.299 3.569 1.00 0.00 N ATOM 1268 CA PRO A 86 13.183 11.220 4.265 1.00 0.00 C ATOM 1269 C PRO A 86 11.729 10.967 3.868 1.00 0.00 C ATOM 1270 O PRO A 86 11.448 10.399 2.833 1.00 0.00 O ATOM 1271 CB PRO A 86 13.634 12.606 3.803 1.00 0.00 C ATOM 1272 CG PRO A 86 14.413 12.396 2.485 1.00 0.00 C ATOM 1273 CD PRO A 86 14.878 10.926 2.478 1.00 0.00 C ATOM 0 HA PRO A 86 13.219 11.098 5.348 1.00 0.00 H new ATOM 0 HB2 PRO A 86 12.777 13.261 3.647 1.00 0.00 H new ATOM 0 HB3 PRO A 86 14.265 13.080 4.555 1.00 0.00 H new ATOM 0 HG2 PRO A 86 13.780 12.606 1.623 1.00 0.00 H new ATOM 0 HG3 PRO A 86 15.266 13.072 2.427 1.00 0.00 H new ATOM 0 HD2 PRO A 86 14.677 10.448 1.519 1.00 0.00 H new ATOM 0 HD3 PRO A 86 15.950 10.846 2.655 1.00 0.00 H new ATOM 1281 N ARG A 87 10.800 11.402 4.679 1.00 0.00 N ATOM 1282 CA ARG A 87 9.370 11.209 4.342 1.00 0.00 C ATOM 1283 C ARG A 87 9.155 11.570 2.874 1.00 0.00 C ATOM 1284 O ARG A 87 8.246 11.096 2.223 1.00 0.00 O ATOM 1285 CB ARG A 87 8.529 12.161 5.187 1.00 0.00 C ATOM 1286 CG ARG A 87 8.759 11.879 6.667 1.00 0.00 C ATOM 1287 CD ARG A 87 7.414 11.688 7.369 1.00 0.00 C ATOM 1288 NE ARG A 87 6.605 12.931 7.239 1.00 0.00 N ATOM 1289 CZ ARG A 87 6.337 13.648 8.294 1.00 0.00 C ATOM 1290 NH1 ARG A 87 7.308 14.117 9.028 1.00 0.00 N ATOM 1291 NH2 ARG A 87 5.097 13.898 8.614 1.00 0.00 N ATOM 0 H ARG A 87 10.977 11.883 5.561 1.00 0.00 H new ATOM 0 HA ARG A 87 9.085 10.174 4.530 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.793 13.194 4.959 1.00 0.00 H new ATOM 0 HB3 ARG A 87 7.473 12.041 4.944 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.373 10.986 6.786 1.00 0.00 H new ATOM 0 HG3 ARG A 87 9.305 12.704 7.124 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.879 10.846 6.930 1.00 0.00 H new ATOM 0 HD3 ARG A 87 7.571 11.452 8.422 1.00 0.00 H new ATOM 0 HE ARG A 87 6.260 13.222 6.324 1.00 0.00 H new ATOM 0 HH11 ARG A 87 8.277 13.923 8.776 1.00 0.00 H new ATOM 0 HH12 ARG A 87 7.098 14.678 9.854 1.00 0.00 H new ATOM 0 HH21 ARG A 87 4.338 13.532 8.039 1.00 0.00 H new ATOM 0 HH22 ARG A 87 4.886 14.459 9.439 1.00 0.00 H new ATOM 1305 N GLN A 88 9.975 12.449 2.373 1.00 0.00 N ATOM 1306 CA GLN A 88 9.828 12.915 0.957 1.00 0.00 C ATOM 1307 C GLN A 88 9.877 11.748 -0.043 1.00 0.00 C ATOM 1308 O GLN A 88 9.077 11.678 -0.958 1.00 0.00 O ATOM 1309 CB GLN A 88 10.953 13.900 0.630 1.00 0.00 C ATOM 1310 CG GLN A 88 10.352 15.246 0.221 1.00 0.00 C ATOM 1311 CD GLN A 88 11.078 16.374 0.955 1.00 0.00 C ATOM 1312 OE1 GLN A 88 11.424 17.377 0.363 1.00 0.00 O ATOM 1313 NE2 GLN A 88 11.324 16.253 2.231 1.00 0.00 N ATOM 0 H GLN A 88 10.750 12.872 2.885 1.00 0.00 H new ATOM 0 HA GLN A 88 8.854 13.395 0.865 1.00 0.00 H new ATOM 0 HB2 GLN A 88 11.602 14.028 1.497 1.00 0.00 H new ATOM 0 HB3 GLN A 88 11.572 13.506 -0.176 1.00 0.00 H new ATOM 0 HG2 GLN A 88 10.441 15.383 -0.857 1.00 0.00 H new ATOM 0 HG3 GLN A 88 9.289 15.269 0.459 1.00 0.00 H new ATOM 0 HE21 GLN A 88 11.034 15.411 2.729 1.00 0.00 H new ATOM 0 HE22 GLN A 88 11.806 17.000 2.730 1.00 0.00 H new ATOM 1322 N VAL A 89 10.815 10.852 0.091 1.00 0.00 N ATOM 1323 CA VAL A 89 10.920 9.734 -0.878 1.00 0.00 C ATOM 1324 C VAL A 89 9.760 8.760 -0.713 1.00 0.00 C ATOM 1325 O VAL A 89 9.196 8.281 -1.680 1.00 0.00 O ATOM 1326 CB VAL A 89 12.235 9.022 -0.619 1.00 0.00 C ATOM 1327 CG1 VAL A 89 12.452 7.933 -1.667 1.00 0.00 C ATOM 1328 CG2 VAL A 89 13.354 10.046 -0.694 1.00 0.00 C ATOM 0 H VAL A 89 11.514 10.849 0.834 1.00 0.00 H new ATOM 0 HA VAL A 89 10.882 10.121 -1.896 1.00 0.00 H new ATOM 0 HB VAL A 89 12.221 8.555 0.366 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.398 7.426 -1.475 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.637 7.211 -1.616 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.477 8.383 -2.660 1.00 0.00 H new ATOM 0 HG21 VAL A 89 14.310 9.555 -0.511 1.00 0.00 H new ATOM 0 HG22 VAL A 89 13.364 10.502 -1.684 1.00 0.00 H new ATOM 0 HG23 VAL A 89 13.192 10.818 0.059 1.00 0.00 H new ATOM 1338 N GLN A 90 9.393 8.456 0.495 1.00 0.00 N ATOM 1339 CA GLN A 90 8.267 7.508 0.697 1.00 0.00 C ATOM 1340 C GLN A 90 6.991 8.136 0.147 1.00 0.00 C ATOM 1341 O GLN A 90 6.098 7.453 -0.315 1.00 0.00 O ATOM 1342 CB GLN A 90 8.096 7.210 2.187 1.00 0.00 C ATOM 1343 CG GLN A 90 8.257 5.707 2.422 1.00 0.00 C ATOM 1344 CD GLN A 90 9.173 5.470 3.623 1.00 0.00 C ATOM 1345 OE1 GLN A 90 8.897 4.630 4.456 1.00 0.00 O ATOM 1346 NE2 GLN A 90 10.260 6.179 3.750 1.00 0.00 N ATOM 0 H GLN A 90 9.820 8.819 1.347 1.00 0.00 H new ATOM 0 HA GLN A 90 8.475 6.574 0.175 1.00 0.00 H new ATOM 0 HB2 GLN A 90 8.835 7.762 2.767 1.00 0.00 H new ATOM 0 HB3 GLN A 90 7.114 7.540 2.526 1.00 0.00 H new ATOM 0 HG2 GLN A 90 7.283 5.250 2.599 1.00 0.00 H new ATOM 0 HG3 GLN A 90 8.675 5.233 1.534 1.00 0.00 H new ATOM 0 HE21 GLN A 90 10.493 6.885 3.051 1.00 0.00 H new ATOM 0 HE22 GLN A 90 10.877 6.028 4.548 1.00 0.00 H new ATOM 1355 N ARG A 91 6.901 9.436 0.184 1.00 0.00 N ATOM 1356 CA ARG A 91 5.680 10.104 -0.348 1.00 0.00 C ATOM 1357 C ARG A 91 5.746 10.147 -1.879 1.00 0.00 C ATOM 1358 O ARG A 91 4.734 10.164 -2.551 1.00 0.00 O ATOM 1359 CB ARG A 91 5.580 11.525 0.211 1.00 0.00 C ATOM 1360 CG ARG A 91 4.145 11.784 0.685 1.00 0.00 C ATOM 1361 CD ARG A 91 4.036 11.495 2.185 1.00 0.00 C ATOM 1362 NE ARG A 91 2.679 10.955 2.496 1.00 0.00 N ATOM 1363 CZ ARG A 91 1.856 11.643 3.241 1.00 0.00 C ATOM 1364 NH1 ARG A 91 2.259 12.127 4.384 1.00 0.00 N ATOM 1365 NH2 ARG A 91 0.628 11.846 2.845 1.00 0.00 N ATOM 0 H ARG A 91 7.615 10.062 0.557 1.00 0.00 H new ATOM 0 HA ARG A 91 4.798 9.541 -0.042 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.277 11.652 1.039 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.859 12.249 -0.554 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.866 12.818 0.483 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.450 11.153 0.132 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.801 10.778 2.483 1.00 0.00 H new ATOM 0 HD3 ARG A 91 4.215 12.407 2.755 1.00 0.00 H new ATOM 0 HE ARG A 91 2.395 10.048 2.126 1.00 0.00 H new ATOM 0 HH11 ARG A 91 3.217 11.968 4.696 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.616 12.664 4.966 1.00 0.00 H new ATOM 0 HH21 ARG A 91 0.311 11.467 1.953 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -0.014 12.384 3.428 1.00 0.00 H new ATOM 1379 N ALA A 92 6.929 10.165 -2.438 1.00 0.00 N ATOM 1380 CA ALA A 92 7.051 10.206 -3.924 1.00 0.00 C ATOM 1381 C ALA A 92 6.680 8.840 -4.510 1.00 0.00 C ATOM 1382 O ALA A 92 5.872 8.744 -5.412 1.00 0.00 O ATOM 1383 CB ALA A 92 8.490 10.550 -4.308 1.00 0.00 C ATOM 0 H ALA A 92 7.813 10.153 -1.930 1.00 0.00 H new ATOM 0 HA ALA A 92 6.376 10.965 -4.320 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.580 10.580 -5.394 1.00 0.00 H new ATOM 0 HB2 ALA A 92 8.754 11.524 -3.895 1.00 0.00 H new ATOM 0 HB3 ALA A 92 9.164 9.792 -3.909 1.00 0.00 H new ATOM 1389 N PHE A 93 7.267 7.784 -4.012 1.00 0.00 N ATOM 1390 CA PHE A 93 6.946 6.426 -4.548 1.00 0.00 C ATOM 1391 C PHE A 93 5.601 5.944 -3.987 1.00 0.00 C ATOM 1392 O PHE A 93 4.921 5.135 -4.585 1.00 0.00 O ATOM 1393 CB PHE A 93 8.044 5.449 -4.130 1.00 0.00 C ATOM 1394 CG PHE A 93 7.663 4.046 -4.542 1.00 0.00 C ATOM 1395 CD1 PHE A 93 6.859 3.261 -3.705 1.00 0.00 C ATOM 1396 CD2 PHE A 93 8.119 3.529 -5.760 1.00 0.00 C ATOM 1397 CE1 PHE A 93 6.512 1.960 -4.088 1.00 0.00 C ATOM 1398 CE2 PHE A 93 7.771 2.228 -6.143 1.00 0.00 C ATOM 1399 CZ PHE A 93 6.968 1.444 -5.308 1.00 0.00 C ATOM 0 H PHE A 93 7.954 7.802 -3.258 1.00 0.00 H new ATOM 0 HA PHE A 93 6.884 6.475 -5.635 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.990 5.730 -4.594 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.192 5.494 -3.051 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.507 3.659 -2.765 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.740 4.134 -6.405 1.00 0.00 H new ATOM 0 HE1 PHE A 93 5.893 1.354 -3.443 1.00 0.00 H new ATOM 0 HE2 PHE A 93 8.123 1.830 -7.083 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.699 0.441 -5.604 1.00 0.00 H new ATOM 1409 N ALA A 94 5.228 6.424 -2.833 1.00 0.00 N ATOM 1410 CA ALA A 94 3.946 5.990 -2.206 1.00 0.00 C ATOM 1411 C ALA A 94 2.810 5.906 -3.240 1.00 0.00 C ATOM 1412 O ALA A 94 2.134 4.899 -3.317 1.00 0.00 O ATOM 1413 CB ALA A 94 3.559 6.984 -1.110 1.00 0.00 C ATOM 0 H ALA A 94 5.761 7.105 -2.292 1.00 0.00 H new ATOM 0 HA ALA A 94 4.094 4.996 -1.784 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.622 6.671 -0.649 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.343 7.015 -0.354 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.435 7.976 -1.545 1.00 0.00 H new ATOM 1419 N PRO A 95 2.614 6.963 -3.987 1.00 0.00 N ATOM 1420 CA PRO A 95 1.543 7.022 -5.001 1.00 0.00 C ATOM 1421 C PRO A 95 1.862 6.139 -6.211 1.00 0.00 C ATOM 1422 O PRO A 95 2.305 6.606 -7.241 1.00 0.00 O ATOM 1423 CB PRO A 95 1.484 8.504 -5.382 1.00 0.00 C ATOM 1424 CG PRO A 95 2.851 9.108 -4.992 1.00 0.00 C ATOM 1425 CD PRO A 95 3.439 8.185 -3.908 1.00 0.00 C ATOM 0 HA PRO A 95 0.590 6.648 -4.626 1.00 0.00 H new ATOM 0 HB2 PRO A 95 1.297 8.624 -6.449 1.00 0.00 H new ATOM 0 HB3 PRO A 95 0.672 9.008 -4.857 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.513 9.163 -5.857 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.734 10.124 -4.615 1.00 0.00 H new ATOM 0 HD2 PRO A 95 4.491 7.969 -4.097 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.380 8.642 -2.920 1.00 0.00 H new ATOM 1433 N LYS A 96 1.619 4.862 -6.087 1.00 0.00 N ATOM 1434 CA LYS A 96 1.882 3.926 -7.219 1.00 0.00 C ATOM 1435 C LYS A 96 1.592 2.491 -6.765 1.00 0.00 C ATOM 1436 O LYS A 96 2.445 1.627 -6.824 1.00 0.00 O ATOM 1437 CB LYS A 96 3.345 4.042 -7.652 1.00 0.00 C ATOM 1438 CG LYS A 96 3.425 4.803 -8.977 1.00 0.00 C ATOM 1439 CD LYS A 96 4.358 6.005 -8.823 1.00 0.00 C ATOM 1440 CE LYS A 96 5.602 5.801 -9.689 1.00 0.00 C ATOM 1441 NZ LYS A 96 5.825 7.011 -10.531 1.00 0.00 N ATOM 0 H LYS A 96 1.247 4.424 -5.244 1.00 0.00 H new ATOM 0 HA LYS A 96 1.238 4.180 -8.061 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.922 4.561 -6.887 1.00 0.00 H new ATOM 0 HB3 LYS A 96 3.782 3.050 -7.763 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.791 4.144 -9.765 1.00 0.00 H new ATOM 0 HG3 LYS A 96 2.432 5.137 -9.277 1.00 0.00 H new ATOM 0 HD2 LYS A 96 3.842 6.919 -9.118 1.00 0.00 H new ATOM 0 HD3 LYS A 96 4.645 6.124 -7.778 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.472 5.619 -9.058 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.478 4.922 -10.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 6.671 6.873 -11.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 4.998 7.165 -11.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 5.962 7.840 -9.918 1.00 0.00 H new ATOM 1455 N LEU A 97 0.398 2.234 -6.296 1.00 0.00 N ATOM 1456 CA LEU A 97 0.061 0.858 -5.818 1.00 0.00 C ATOM 1457 C LEU A 97 -0.650 0.044 -6.915 1.00 0.00 C ATOM 1458 O LEU A 97 -0.033 -0.754 -7.594 1.00 0.00 O ATOM 1459 CB LEU A 97 -0.837 0.951 -4.582 1.00 0.00 C ATOM 1460 CG LEU A 97 -0.258 0.076 -3.471 1.00 0.00 C ATOM 1461 CD1 LEU A 97 0.094 0.948 -2.266 1.00 0.00 C ATOM 1462 CD2 LEU A 97 -1.293 -0.971 -3.056 1.00 0.00 C ATOM 0 H LEU A 97 -0.357 2.916 -6.223 1.00 0.00 H new ATOM 0 HA LEU A 97 0.990 0.347 -5.565 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.908 1.986 -4.246 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.848 0.626 -4.827 1.00 0.00 H new ATOM 0 HG LEU A 97 0.641 -0.423 -3.833 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.507 0.324 -1.473 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.831 1.695 -2.561 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.804 1.447 -1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.881 -1.596 -2.264 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.191 -0.471 -2.694 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.545 -1.593 -3.915 1.00 0.00 H new ATOM 1474 N VAL A 98 -1.942 0.213 -7.085 1.00 0.00 N ATOM 1475 CA VAL A 98 -2.668 -0.582 -8.121 1.00 0.00 C ATOM 1476 C VAL A 98 -2.508 0.040 -9.507 1.00 0.00 C ATOM 1477 O VAL A 98 -3.363 -0.104 -10.358 1.00 0.00 O ATOM 1478 CB VAL A 98 -4.148 -0.631 -7.772 1.00 0.00 C ATOM 1479 CG1 VAL A 98 -4.296 -0.970 -6.295 1.00 0.00 C ATOM 1480 CG2 VAL A 98 -4.794 0.730 -8.053 1.00 0.00 C ATOM 0 H VAL A 98 -2.519 0.864 -6.553 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.245 -1.586 -8.138 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.642 -1.390 -8.378 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -5.354 -1.008 -6.035 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.839 -1.939 -6.097 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.802 -0.206 -5.695 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.854 0.689 -7.801 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.307 1.496 -7.449 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -4.681 0.975 -9.109 1.00 0.00 H new ATOM 1490 N THR A 99 -1.434 0.716 -9.759 1.00 0.00 N ATOM 1491 CA THR A 99 -1.259 1.307 -11.111 1.00 0.00 C ATOM 1492 C THR A 99 -0.381 0.369 -11.939 1.00 0.00 C ATOM 1493 O THR A 99 0.169 -0.582 -11.424 1.00 0.00 O ATOM 1494 CB THR A 99 -0.582 2.675 -11.003 1.00 0.00 C ATOM 1495 OG1 THR A 99 0.819 2.496 -10.847 1.00 0.00 O ATOM 1496 CG2 THR A 99 -1.135 3.426 -9.795 1.00 0.00 C ATOM 0 H THR A 99 -0.675 0.887 -9.099 1.00 0.00 H new ATOM 0 HA THR A 99 -2.232 1.434 -11.586 1.00 0.00 H new ATOM 0 HB THR A 99 -0.779 3.250 -11.908 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.255 3.371 -10.779 1.00 0.00 H new ATOM 0 HG21 THR A 99 -0.652 4.400 -9.720 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.210 3.562 -9.912 1.00 0.00 H new ATOM 0 HG23 THR A 99 -0.939 2.853 -8.889 1.00 0.00 H new ATOM 1504 N GLU A 100 -0.247 0.605 -13.218 1.00 0.00 N ATOM 1505 CA GLU A 100 0.596 -0.306 -14.048 1.00 0.00 C ATOM 1506 C GLU A 100 2.056 -0.370 -13.534 1.00 0.00 C ATOM 1507 O GLU A 100 2.863 -1.087 -14.093 1.00 0.00 O ATOM 1508 CB GLU A 100 0.601 0.199 -15.492 1.00 0.00 C ATOM 1509 CG GLU A 100 0.009 -0.869 -16.415 1.00 0.00 C ATOM 1510 CD GLU A 100 -0.931 -0.207 -17.424 1.00 0.00 C ATOM 1511 OE1 GLU A 100 -1.595 0.744 -17.049 1.00 0.00 O ATOM 1512 OE2 GLU A 100 -0.972 -0.664 -18.554 1.00 0.00 O ATOM 0 H GLU A 100 -0.680 1.381 -13.720 1.00 0.00 H new ATOM 0 HA GLU A 100 0.171 -1.308 -13.985 1.00 0.00 H new ATOM 0 HB2 GLU A 100 0.022 1.120 -15.567 1.00 0.00 H new ATOM 0 HB3 GLU A 100 1.619 0.436 -15.801 1.00 0.00 H new ATOM 0 HG2 GLU A 100 0.807 -1.396 -16.937 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -0.533 -1.611 -15.829 1.00 0.00 H new ATOM 1519 N VAL A 101 2.432 0.363 -12.504 1.00 0.00 N ATOM 1520 CA VAL A 101 3.849 0.296 -12.043 1.00 0.00 C ATOM 1521 C VAL A 101 3.976 -0.604 -10.808 1.00 0.00 C ATOM 1522 O VAL A 101 5.030 -0.694 -10.212 1.00 0.00 O ATOM 1523 CB VAL A 101 4.331 1.704 -11.689 1.00 0.00 C ATOM 1524 CG1 VAL A 101 5.787 1.645 -11.228 1.00 0.00 C ATOM 1525 CG2 VAL A 101 4.224 2.605 -12.922 1.00 0.00 C ATOM 0 H VAL A 101 1.826 0.991 -11.976 1.00 0.00 H new ATOM 0 HA VAL A 101 4.458 -0.121 -12.845 1.00 0.00 H new ATOM 0 HB VAL A 101 3.712 2.108 -10.888 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.130 2.649 -10.976 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.865 1.004 -10.350 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.406 1.241 -12.029 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.567 3.608 -12.670 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.842 2.200 -13.723 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.186 2.649 -13.252 1.00 0.00 H new ATOM 1535 N GLU A 102 2.925 -1.271 -10.409 1.00 0.00 N ATOM 1536 CA GLU A 102 3.034 -2.149 -9.207 1.00 0.00 C ATOM 1537 C GLU A 102 2.227 -3.439 -9.412 1.00 0.00 C ATOM 1538 O GLU A 102 2.733 -4.422 -9.914 1.00 0.00 O ATOM 1539 CB GLU A 102 2.513 -1.398 -7.978 1.00 0.00 C ATOM 1540 CG GLU A 102 3.693 -0.993 -7.093 1.00 0.00 C ATOM 1541 CD GLU A 102 3.402 -1.390 -5.646 1.00 0.00 C ATOM 1542 OE1 GLU A 102 3.294 -2.578 -5.388 1.00 0.00 O ATOM 1543 OE2 GLU A 102 3.291 -0.499 -4.819 1.00 0.00 O ATOM 0 H GLU A 102 2.008 -1.247 -10.856 1.00 0.00 H new ATOM 0 HA GLU A 102 4.080 -2.415 -9.055 1.00 0.00 H new ATOM 0 HB2 GLU A 102 1.956 -0.514 -8.287 1.00 0.00 H new ATOM 0 HB3 GLU A 102 1.823 -2.029 -7.418 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.605 -1.480 -7.439 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.860 0.082 -7.160 1.00 0.00 H new ATOM 1550 N CYS A 103 0.981 -3.452 -9.016 1.00 0.00 N ATOM 1551 CA CYS A 103 0.157 -4.686 -9.176 1.00 0.00 C ATOM 1552 C CYS A 103 -1.280 -4.280 -9.545 1.00 0.00 C ATOM 1553 O CYS A 103 -2.234 -4.858 -9.062 1.00 0.00 O ATOM 1554 CB CYS A 103 0.135 -5.442 -7.844 1.00 0.00 C ATOM 1555 SG CYS A 103 1.764 -5.345 -7.054 1.00 0.00 S ATOM 0 H CYS A 103 0.499 -2.661 -8.589 1.00 0.00 H new ATOM 0 HA CYS A 103 0.577 -5.319 -9.957 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -0.624 -5.017 -7.187 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -0.136 -6.484 -8.012 1.00 0.00 H new ATOM 1560 N ASN A 104 -1.442 -3.267 -10.367 1.00 0.00 N ATOM 1561 CA ASN A 104 -2.810 -2.795 -10.737 1.00 0.00 C ATOM 1562 C ASN A 104 -3.811 -3.947 -10.834 1.00 0.00 C ATOM 1563 O ASN A 104 -4.866 -3.891 -10.234 1.00 0.00 O ATOM 1564 CB ASN A 104 -2.753 -2.047 -12.074 1.00 0.00 C ATOM 1565 CG ASN A 104 -2.595 -3.041 -13.225 1.00 0.00 C ATOM 1566 OD1 ASN A 104 -3.571 -3.527 -13.763 1.00 0.00 O ATOM 1567 ND2 ASN A 104 -1.398 -3.369 -13.630 1.00 0.00 N ATOM 0 H ASN A 104 -0.678 -2.746 -10.798 1.00 0.00 H new ATOM 0 HA ASN A 104 -3.153 -2.127 -9.947 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -3.662 -1.461 -12.211 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -1.919 -1.345 -12.072 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -1.283 -4.032 -14.397 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -0.578 -2.962 -13.180 1.00 0.00 H new ATOM 1574 N LEU A 105 -3.513 -4.982 -11.575 1.00 0.00 N ATOM 1575 CA LEU A 105 -4.490 -6.108 -11.688 1.00 0.00 C ATOM 1576 C LEU A 105 -5.920 -5.549 -11.803 1.00 0.00 C ATOM 1577 O LEU A 105 -6.874 -6.191 -11.412 1.00 0.00 O ATOM 1578 CB LEU A 105 -4.407 -6.980 -10.430 1.00 0.00 C ATOM 1579 CG LEU A 105 -3.177 -7.884 -10.499 1.00 0.00 C ATOM 1580 CD1 LEU A 105 -2.287 -7.624 -9.282 1.00 0.00 C ATOM 1581 CD2 LEU A 105 -3.625 -9.348 -10.496 1.00 0.00 C ATOM 0 H LEU A 105 -2.647 -5.097 -12.101 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.252 -6.698 -12.573 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.355 -6.349 -9.543 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.309 -7.586 -10.338 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.619 -7.673 -11.411 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.409 -8.268 -9.329 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.972 -6.581 -9.278 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.845 -7.838 -8.371 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.750 -9.996 -10.545 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.180 -9.557 -9.582 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.264 -9.535 -11.359 1.00 0.00 H new ATOM 1593 N ALA A 106 -6.081 -4.351 -12.316 1.00 0.00 N ATOM 1594 CA ALA A 106 -7.448 -3.767 -12.423 1.00 0.00 C ATOM 1595 C ALA A 106 -8.028 -3.616 -11.016 1.00 0.00 C ATOM 1596 O ALA A 106 -7.650 -4.323 -10.103 1.00 0.00 O ATOM 1597 CB ALA A 106 -8.339 -4.690 -13.257 1.00 0.00 C ATOM 0 H ALA A 106 -5.326 -3.759 -12.662 1.00 0.00 H new ATOM 0 HA ALA A 106 -7.400 -2.792 -12.909 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -9.338 -4.260 -13.333 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.915 -4.801 -14.255 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -8.400 -5.667 -12.778 1.00 0.00 H new ATOM 1603 N THR A 107 -8.932 -2.694 -10.825 1.00 0.00 N ATOM 1604 CA THR A 107 -9.514 -2.502 -9.466 1.00 0.00 C ATOM 1605 C THR A 107 -11.044 -2.520 -9.581 1.00 0.00 C ATOM 1606 O THR A 107 -11.588 -2.689 -10.654 1.00 0.00 O ATOM 1607 CB THR A 107 -9.060 -1.146 -8.914 1.00 0.00 C ATOM 1608 OG1 THR A 107 -9.923 -0.126 -9.400 1.00 0.00 O ATOM 1609 CG2 THR A 107 -7.644 -0.855 -9.401 1.00 0.00 C ATOM 0 H THR A 107 -9.291 -2.069 -11.546 1.00 0.00 H new ATOM 0 HA THR A 107 -9.182 -3.296 -8.797 1.00 0.00 H new ATOM 0 HB THR A 107 -9.087 -1.171 -7.825 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.513 0.751 -9.245 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.316 0.109 -9.011 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.971 -1.637 -9.050 1.00 0.00 H new ATOM 0 HG23 THR A 107 -7.632 -0.829 -10.491 1.00 0.00 H new ATOM 1617 N ILE A 108 -11.745 -2.336 -8.495 1.00 0.00 N ATOM 1618 CA ILE A 108 -13.236 -2.334 -8.564 1.00 0.00 C ATOM 1619 C ILE A 108 -13.690 -1.147 -9.421 1.00 0.00 C ATOM 1620 O ILE A 108 -14.682 -1.207 -10.120 1.00 0.00 O ATOM 1621 CB ILE A 108 -13.809 -2.199 -7.153 1.00 0.00 C ATOM 1622 CG1 ILE A 108 -15.327 -2.388 -7.198 1.00 0.00 C ATOM 1623 CG2 ILE A 108 -13.484 -0.809 -6.603 1.00 0.00 C ATOM 1624 CD1 ILE A 108 -15.653 -3.872 -7.376 1.00 0.00 C ATOM 0 H ILE A 108 -11.352 -2.187 -7.566 1.00 0.00 H new ATOM 0 HA ILE A 108 -13.590 -3.265 -9.007 1.00 0.00 H new ATOM 0 HB ILE A 108 -13.368 -2.958 -6.507 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -15.778 -2.014 -6.279 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -15.752 -1.811 -8.019 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -13.892 -0.711 -5.597 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -12.403 -0.674 -6.571 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -13.925 -0.050 -7.249 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -16.734 -4.006 -7.408 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -15.215 -4.232 -8.307 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -15.242 -4.438 -6.540 1.00 0.00 H new ATOM 1636 N HIS A 109 -12.954 -0.073 -9.365 1.00 0.00 N ATOM 1637 CA HIS A 109 -13.289 1.143 -10.158 1.00 0.00 C ATOM 1638 C HIS A 109 -13.232 0.852 -11.669 1.00 0.00 C ATOM 1639 O HIS A 109 -13.515 1.717 -12.475 1.00 0.00 O ATOM 1640 CB HIS A 109 -12.270 2.231 -9.813 1.00 0.00 C ATOM 1641 CG HIS A 109 -12.339 2.537 -8.344 1.00 0.00 C ATOM 1642 ND1 HIS A 109 -11.699 1.983 -7.266 1.00 0.00 N flip ATOM 1643 CD2 HIS A 109 -13.150 3.537 -7.830 1.00 0.00 C flip ATOM 1644 CE1 HIS A 109 -12.101 2.626 -6.101 1.00 0.00 C flip ATOM 1645 NE2 HIS A 109 -12.975 3.552 -6.497 1.00 0.00 N flip ATOM 0 H HIS A 109 -12.116 0.015 -8.790 1.00 0.00 H new ATOM 0 HA HIS A 109 -14.302 1.464 -9.914 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -11.266 1.901 -10.079 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -12.474 3.131 -10.392 1.00 0.00 H new ATOM 0 HD1 HIS A 109 -11.029 1.215 -7.312 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -13.803 4.185 -8.396 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -11.775 2.420 -5.092 1.00 0.00 H new ATOM 1653 N GLY A 110 -12.871 -0.343 -12.073 1.00 0.00 N ATOM 1654 CA GLY A 110 -12.810 -0.640 -13.531 1.00 0.00 C ATOM 1655 C GLY A 110 -11.749 0.244 -14.186 1.00 0.00 C ATOM 1656 O GLY A 110 -11.868 0.625 -15.333 1.00 0.00 O ATOM 0 H GLY A 110 -12.619 -1.117 -11.458 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.571 -1.692 -13.689 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -13.782 -0.461 -13.991 1.00 0.00 H new ATOM 1660 N GLY A 111 -10.711 0.575 -13.467 1.00 0.00 N ATOM 1661 CA GLY A 111 -9.648 1.437 -14.054 1.00 0.00 C ATOM 1662 C GLY A 111 -8.370 1.338 -13.212 1.00 0.00 C ATOM 1663 O GLY A 111 -8.369 0.742 -12.154 1.00 0.00 O ATOM 0 H GLY A 111 -10.554 0.286 -12.501 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -9.443 1.129 -15.079 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -9.988 2.472 -14.094 1.00 0.00 H new ATOM 1667 N PRO A 112 -7.318 1.934 -13.717 1.00 0.00 N ATOM 1668 CA PRO A 112 -6.001 1.946 -13.049 1.00 0.00 C ATOM 1669 C PRO A 112 -5.966 2.945 -11.891 1.00 0.00 C ATOM 1670 O PRO A 112 -5.281 3.944 -11.951 1.00 0.00 O ATOM 1671 CB PRO A 112 -5.040 2.377 -14.164 1.00 0.00 C ATOM 1672 CG PRO A 112 -5.893 3.098 -15.232 1.00 0.00 C ATOM 1673 CD PRO A 112 -7.350 2.655 -15.008 1.00 0.00 C ATOM 0 HA PRO A 112 -5.748 0.981 -12.609 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -4.267 3.040 -13.774 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -4.532 1.513 -14.593 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -5.799 4.180 -15.137 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -5.559 2.836 -16.236 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -8.024 3.510 -14.969 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -7.698 2.011 -15.815 1.00 0.00 H new ATOM 1681 N PHE A 113 -6.676 2.668 -10.827 1.00 0.00 N ATOM 1682 CA PHE A 113 -6.655 3.598 -9.654 1.00 0.00 C ATOM 1683 C PHE A 113 -7.686 3.163 -8.606 1.00 0.00 C ATOM 1684 O PHE A 113 -8.626 2.452 -8.902 1.00 0.00 O ATOM 1685 CB PHE A 113 -6.974 5.032 -10.097 1.00 0.00 C ATOM 1686 CG PHE A 113 -8.377 5.119 -10.662 1.00 0.00 C ATOM 1687 CD1 PHE A 113 -9.481 5.212 -9.802 1.00 0.00 C ATOM 1688 CD2 PHE A 113 -8.569 5.137 -12.048 1.00 0.00 C ATOM 1689 CE1 PHE A 113 -10.775 5.319 -10.334 1.00 0.00 C ATOM 1690 CE2 PHE A 113 -9.860 5.250 -12.578 1.00 0.00 C ATOM 1691 CZ PHE A 113 -10.965 5.341 -11.723 1.00 0.00 C ATOM 0 H PHE A 113 -7.267 1.843 -10.718 1.00 0.00 H new ATOM 0 HA PHE A 113 -5.656 3.565 -9.220 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -6.875 5.710 -9.249 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -6.253 5.354 -10.849 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -9.335 5.201 -8.732 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -7.719 5.064 -12.711 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -11.626 5.385 -9.672 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -10.004 5.267 -13.648 1.00 0.00 H new ATOM 0 HZ PHE A 113 -11.961 5.428 -12.132 1.00 0.00 H new ATOM 1701 N CYS A 114 -7.523 3.606 -7.382 1.00 0.00 N ATOM 1702 CA CYS A 114 -8.497 3.241 -6.316 1.00 0.00 C ATOM 1703 C CYS A 114 -8.656 4.431 -5.361 1.00 0.00 C ATOM 1704 O CYS A 114 -7.816 5.306 -5.314 1.00 0.00 O ATOM 1705 CB CYS A 114 -7.999 2.015 -5.537 1.00 0.00 C ATOM 1706 SG CYS A 114 -6.214 2.134 -5.238 1.00 0.00 S ATOM 0 H CYS A 114 -6.755 4.205 -7.079 1.00 0.00 H new ATOM 0 HA CYS A 114 -9.457 2.997 -6.771 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -8.529 1.941 -4.587 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -8.220 1.106 -6.097 1.00 0.00 H new ATOM 1711 N LEU A 115 -9.722 4.475 -4.603 1.00 0.00 N ATOM 1712 CA LEU A 115 -9.922 5.613 -3.657 1.00 0.00 C ATOM 1713 C LEU A 115 -11.309 5.502 -3.018 1.00 0.00 C ATOM 1714 O LEU A 115 -11.443 5.221 -1.843 1.00 0.00 O ATOM 1715 CB LEU A 115 -9.819 6.944 -4.411 1.00 0.00 C ATOM 1716 CG LEU A 115 -9.997 8.100 -3.428 1.00 0.00 C ATOM 1717 CD1 LEU A 115 -8.628 8.527 -2.891 1.00 0.00 C ATOM 1718 CD2 LEU A 115 -10.653 9.281 -4.145 1.00 0.00 C ATOM 0 H LEU A 115 -10.462 3.773 -4.599 1.00 0.00 H new ATOM 0 HA LEU A 115 -9.153 5.576 -2.885 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -8.851 7.020 -4.907 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -10.581 6.993 -5.189 1.00 0.00 H new ATOM 0 HG LEU A 115 -10.629 7.780 -2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -8.753 9.352 -2.189 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -8.158 7.686 -2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.996 8.848 -3.719 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -10.781 10.106 -3.445 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -10.020 9.602 -4.972 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -11.627 8.978 -4.530 1.00 0.00 H new ATOM 1730 N SER A 116 -12.341 5.721 -3.786 1.00 0.00 N ATOM 1731 CA SER A 116 -13.722 5.630 -3.234 1.00 0.00 C ATOM 1732 C SER A 116 -14.729 5.706 -4.384 1.00 0.00 C ATOM 1733 O SER A 116 -15.258 4.706 -4.827 1.00 0.00 O ATOM 1734 CB SER A 116 -13.963 6.792 -2.268 1.00 0.00 C ATOM 1735 OG SER A 116 -13.884 6.314 -0.932 1.00 0.00 O ATOM 0 H SER A 116 -12.287 5.960 -4.776 1.00 0.00 H new ATOM 0 HA SER A 116 -13.843 4.686 -2.702 1.00 0.00 H new ATOM 0 HB2 SER A 116 -13.223 7.575 -2.431 1.00 0.00 H new ATOM 0 HB3 SER A 116 -14.942 7.235 -2.451 1.00 0.00 H new ATOM 0 HG SER A 116 -13.048 5.817 -0.811 1.00 0.00 H new ATOM 1741 N LEU A 117 -14.995 6.887 -4.872 1.00 0.00 N ATOM 1742 CA LEU A 117 -15.963 7.035 -5.997 1.00 0.00 C ATOM 1743 C LEU A 117 -17.258 6.279 -5.674 1.00 0.00 C ATOM 1744 O LEU A 117 -18.028 5.953 -6.554 1.00 0.00 O ATOM 1745 CB LEU A 117 -15.345 6.463 -7.277 1.00 0.00 C ATOM 1746 CG LEU A 117 -14.256 7.409 -7.790 1.00 0.00 C ATOM 1747 CD1 LEU A 117 -12.908 7.022 -7.179 1.00 0.00 C ATOM 1748 CD2 LEU A 117 -14.169 7.307 -9.314 1.00 0.00 C ATOM 0 H LEU A 117 -14.583 7.759 -4.539 1.00 0.00 H new ATOM 0 HA LEU A 117 -16.191 8.091 -6.139 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -14.922 5.478 -7.080 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -16.115 6.332 -8.037 1.00 0.00 H new ATOM 0 HG LEU A 117 -14.503 8.431 -7.505 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -12.135 7.697 -7.546 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -12.967 7.094 -6.093 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -12.661 5.999 -7.462 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -13.394 7.980 -9.680 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -13.924 6.283 -9.597 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -15.127 7.585 -9.753 1.00 0.00 H new ATOM 1760 N LEU A 118 -17.505 6.002 -4.418 1.00 0.00 N ATOM 1761 CA LEU A 118 -18.755 5.273 -4.027 1.00 0.00 C ATOM 1762 C LEU A 118 -18.787 3.823 -4.542 1.00 0.00 C ATOM 1763 O LEU A 118 -19.626 3.045 -4.134 1.00 0.00 O ATOM 1764 CB LEU A 118 -19.977 6.016 -4.563 1.00 0.00 C ATOM 1765 CG LEU A 118 -20.344 7.149 -3.607 1.00 0.00 C ATOM 1766 CD1 LEU A 118 -19.264 8.231 -3.661 1.00 0.00 C ATOM 1767 CD2 LEU A 118 -21.689 7.750 -4.021 1.00 0.00 C ATOM 0 H LEU A 118 -16.892 6.250 -3.641 1.00 0.00 H new ATOM 0 HA LEU A 118 -18.770 5.238 -2.938 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -19.766 6.416 -5.555 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -20.816 5.329 -4.669 1.00 0.00 H new ATOM 0 HG LEU A 118 -20.417 6.759 -2.592 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -19.525 9.040 -2.979 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -18.306 7.803 -3.367 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -19.191 8.622 -4.676 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -21.952 8.559 -3.339 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -21.616 8.141 -5.036 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -22.459 6.979 -3.983 1.00 0.00 H new ATOM 1779 N GLY A 119 -17.906 3.437 -5.423 1.00 0.00 N ATOM 1780 CA GLY A 119 -17.932 2.036 -5.928 1.00 0.00 C ATOM 1781 C GLY A 119 -19.043 1.884 -6.969 1.00 0.00 C ATOM 1782 O GLY A 119 -19.685 0.856 -7.056 1.00 0.00 O ATOM 0 H GLY A 119 -17.172 4.028 -5.814 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -16.969 1.780 -6.370 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -18.097 1.344 -5.102 1.00 0.00 H new ATOM 1786 N ALA A 120 -19.273 2.896 -7.762 1.00 0.00 N ATOM 1787 CA ALA A 120 -20.341 2.802 -8.797 1.00 0.00 C ATOM 1788 C ALA A 120 -21.585 2.149 -8.193 1.00 0.00 C ATOM 1789 O ALA A 120 -21.902 1.012 -8.479 1.00 0.00 O ATOM 1790 CB ALA A 120 -19.842 1.953 -9.963 1.00 0.00 C ATOM 0 H ALA A 120 -18.768 3.782 -7.737 1.00 0.00 H new ATOM 0 HA ALA A 120 -20.591 3.802 -9.151 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -20.622 1.883 -10.722 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -18.955 2.415 -10.396 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -19.593 0.954 -9.605 1.00 0.00 H new ATOM 1796 N GLY A 121 -22.292 2.859 -7.360 1.00 0.00 N ATOM 1797 CA GLY A 121 -23.517 2.276 -6.740 1.00 0.00 C ATOM 1798 C GLY A 121 -24.540 1.968 -7.833 1.00 0.00 C ATOM 1799 O GLY A 121 -25.458 1.197 -7.639 1.00 0.00 O ATOM 0 H GLY A 121 -22.077 3.816 -7.081 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -23.265 1.366 -6.195 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -23.940 2.974 -6.017 1.00 0.00 H new ATOM 1803 N GLU A 122 -24.389 2.565 -8.984 1.00 0.00 N ATOM 1804 CA GLU A 122 -25.353 2.304 -10.089 1.00 0.00 C ATOM 1805 C GLU A 122 -25.128 3.319 -11.212 1.00 0.00 C ATOM 1806 O GLU A 122 -24.894 4.475 -10.900 1.00 0.00 O ATOM 1807 CB GLU A 122 -26.784 2.435 -9.562 1.00 0.00 C ATOM 1808 CG GLU A 122 -27.457 1.061 -9.559 1.00 0.00 C ATOM 1809 CD GLU A 122 -28.365 0.932 -10.783 1.00 0.00 C ATOM 1810 OE1 GLU A 122 -29.245 1.766 -10.934 1.00 0.00 O ATOM 1811 OE2 GLU A 122 -28.169 0.002 -11.548 1.00 0.00 O ATOM 1812 OXT GLU A 122 -25.192 2.922 -12.365 1.00 0.00 O ATOM 0 H GLU A 122 -23.640 3.221 -9.206 1.00 0.00 H new ATOM 0 HA GLU A 122 -25.199 1.296 -10.474 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -26.775 2.849 -8.554 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -27.350 3.127 -10.185 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -26.702 0.275 -9.569 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -28.039 0.932 -8.647 1.00 0.00 H new TER 1819 GLU A 122