USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 669 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 54 SER OG : rot 133:sc= 0 USER MOD Set 1.2: A 83 HIS : no HD1:sc= -3.25 K(o=-3.3,f=-3.9) USER MOD Set 2.1: A 50 THR OG1 : rot 180:sc= -0.0277 USER MOD Set 2.2: A 51 CYS SG : rot 51:sc= -0.242 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -139:sc= -0.329 (180deg=-1.28!) USER MOD Single : A 3 THR OG1 : rot -23:sc= 0.179! USER MOD Single : A 5 ASN : amide:sc= -0.139 K(o=-0.14,f=-0.96) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.445 X(o=-0.45,f=0) USER MOD Single : A 30 CYS SG : rot 180:sc= -4.85! USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN :FLIP amide:sc= -0.649 F(o=-1.2,f=-0.65) USER MOD Single : A 45 HIS :FLIP no HD1:sc= -1.17 F(o=-2,f=-1.2) USER MOD Single : A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0735 USER MOD Single : A 55 THR OG1 : rot -60:sc= -1.58 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.00536 USER MOD Single : A 59 LYS NZ :NH3+ 137:sc= 0.36 (180deg=-1.87!) USER MOD Single : A 67 HIS : no HD1:sc= -3.92! C(o=-3.9!,f=-5.1!) USER MOD Single : A 78 GLN : amide:sc= -8.39! C(o=-8.4!,f=-11!) USER MOD Single : A 84 HIS : no HE2:sc= -5.83! C(o=-5.8!,f=-8.8!) USER MOD Single : A 85 HIS : no HD1:sc= -2.64! C(o=-2.6!,f=-2.9!) USER MOD Single : A 86 HIS : no HD1:sc= -2.25! C(o=-2.3!,f=-2.4!) USER MOD Single : A 87 HIS : no HD1:sc= -0.734 X(o=-0.73,f=-0.62) USER MOD Single : A 88 HIS : no HE2:sc= -0.135 K(o=-0.13,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.863 -29.119 -4.562 1.00 0.00 N ATOM 2 CA MET A 1 5.415 -29.263 -4.242 1.00 0.00 C ATOM 3 C MET A 1 5.219 -29.136 -2.731 1.00 0.00 C ATOM 4 O MET A 1 5.027 -30.134 -2.035 1.00 0.00 O ATOM 5 CB MET A 1 4.927 -30.634 -4.730 1.00 0.00 C ATOM 6 CG MET A 1 3.408 -30.736 -4.559 1.00 0.00 C ATOM 7 SD MET A 1 2.777 -32.095 -5.576 1.00 0.00 S ATOM 8 CE MET A 1 3.017 -33.422 -4.369 1.00 0.00 C ATOM 0 H1 MET A 1 6.973 -28.540 -5.419 1.00 0.00 H new ATOM 0 H2 MET A 1 7.350 -28.658 -3.767 1.00 0.00 H new ATOM 0 H3 MET A 1 7.278 -30.059 -4.724 1.00 0.00 H new ATOM 0 HA MET A 1 4.840 -28.483 -4.740 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.194 -30.773 -5.777 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.419 -31.427 -4.167 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.160 -30.906 -3.511 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.935 -29.799 -4.851 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.686 -34.368 -4.798 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.073 -33.491 -4.109 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.436 -33.207 -3.472 1.00 0.00 H new ATOM 20 N PRO A 2 5.268 -27.932 -2.216 1.00 0.00 N ATOM 21 CA PRO A 2 5.095 -27.671 -0.761 1.00 0.00 C ATOM 22 C PRO A 2 3.628 -27.787 -0.339 1.00 0.00 C ATOM 23 O PRO A 2 3.176 -28.862 0.058 1.00 0.00 O ATOM 24 CB PRO A 2 5.630 -26.239 -0.561 1.00 0.00 C ATOM 25 CG PRO A 2 6.079 -25.748 -1.906 1.00 0.00 C ATOM 26 CD PRO A 2 5.493 -26.689 -2.957 1.00 0.00 C ATOM 0 HA PRO A 2 5.626 -28.398 -0.147 1.00 0.00 H new ATOM 0 HB2 PRO A 2 4.855 -25.591 -0.153 1.00 0.00 H new ATOM 0 HB3 PRO A 2 6.458 -26.232 0.148 1.00 0.00 H new ATOM 0 HG2 PRO A 2 5.739 -24.726 -2.074 1.00 0.00 H new ATOM 0 HG3 PRO A 2 7.167 -25.736 -1.966 1.00 0.00 H new ATOM 0 HD2 PRO A 2 4.565 -26.297 -3.374 1.00 0.00 H new ATOM 0 HD3 PRO A 2 6.180 -26.837 -3.790 1.00 0.00 H new ATOM 34 N THR A 3 2.890 -26.680 -0.438 1.00 0.00 N ATOM 35 CA THR A 3 1.474 -26.668 -0.071 1.00 0.00 C ATOM 36 C THR A 3 0.774 -25.461 -0.688 1.00 0.00 C ATOM 37 O THR A 3 -0.388 -25.545 -1.090 1.00 0.00 O ATOM 38 CB THR A 3 1.316 -26.616 1.455 1.00 0.00 C ATOM 39 OG1 THR A 3 2.096 -27.643 2.053 1.00 0.00 O ATOM 40 CG2 THR A 3 -0.156 -26.812 1.830 1.00 0.00 C ATOM 0 H THR A 3 3.248 -25.784 -0.768 1.00 0.00 H new ATOM 0 HA THR A 3 1.019 -27.583 -0.450 1.00 0.00 H new ATOM 0 HB THR A 3 1.656 -25.645 1.816 1.00 0.00 H new ATOM 0 HG1 THR A 3 2.255 -28.356 1.399 1.00 0.00 H new ATOM 0 HG21 THR A 3 -0.263 -26.774 2.914 1.00 0.00 H new ATOM 0 HG22 THR A 3 -0.755 -26.021 1.378 1.00 0.00 H new ATOM 0 HG23 THR A 3 -0.499 -27.780 1.465 1.00 0.00 H new ATOM 48 N GLU A 4 1.490 -24.337 -0.750 1.00 0.00 N ATOM 49 CA GLU A 4 0.936 -23.103 -1.308 1.00 0.00 C ATOM 50 C GLU A 4 -0.267 -22.643 -0.488 1.00 0.00 C ATOM 51 O GLU A 4 -1.042 -21.790 -0.926 1.00 0.00 O ATOM 52 CB GLU A 4 0.529 -23.312 -2.772 1.00 0.00 C ATOM 53 CG GLU A 4 1.713 -23.894 -3.554 1.00 0.00 C ATOM 54 CD GLU A 4 1.455 -23.792 -5.055 1.00 0.00 C ATOM 55 OE1 GLU A 4 1.483 -22.685 -5.568 1.00 0.00 O ATOM 56 OE2 GLU A 4 1.232 -24.822 -5.669 1.00 0.00 O ATOM 0 H GLU A 4 2.452 -24.256 -0.422 1.00 0.00 H new ATOM 0 HA GLU A 4 1.704 -22.331 -1.267 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.326 -23.986 -2.830 1.00 0.00 H new ATOM 0 HB3 GLU A 4 0.219 -22.365 -3.213 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.627 -23.358 -3.297 1.00 0.00 H new ATOM 0 HG3 GLU A 4 1.866 -24.936 -3.274 1.00 0.00 H new ATOM 63 N ASN A 5 -0.406 -23.206 0.713 1.00 0.00 N ATOM 64 CA ASN A 5 -1.506 -22.843 1.599 1.00 0.00 C ATOM 65 C ASN A 5 -1.481 -21.343 1.882 1.00 0.00 C ATOM 66 O ASN A 5 -2.495 -20.661 1.727 1.00 0.00 O ATOM 67 CB ASN A 5 -1.409 -23.623 2.918 1.00 0.00 C ATOM 68 CG ASN A 5 -2.707 -24.379 3.178 1.00 0.00 C ATOM 69 OD1 ASN A 5 -2.680 -25.565 3.509 1.00 0.00 O ATOM 70 ND2 ASN A 5 -3.849 -23.761 3.048 1.00 0.00 N ATOM 0 H ASN A 5 0.227 -23.911 1.091 1.00 0.00 H new ATOM 0 HA ASN A 5 -2.445 -23.097 1.107 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -0.574 -24.323 2.875 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -1.208 -22.937 3.741 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -4.722 -24.260 3.221 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -3.869 -22.779 2.774 1.00 0.00 H new ATOM 77 N PRO A 6 -0.344 -20.814 2.276 1.00 0.00 N ATOM 78 CA PRO A 6 -0.191 -19.363 2.563 1.00 0.00 C ATOM 79 C PRO A 6 -0.087 -18.562 1.268 1.00 0.00 C ATOM 80 O PRO A 6 1.004 -18.373 0.726 1.00 0.00 O ATOM 81 CB PRO A 6 1.108 -19.268 3.385 1.00 0.00 C ATOM 82 CG PRO A 6 1.635 -20.666 3.527 1.00 0.00 C ATOM 83 CD PRO A 6 0.917 -21.529 2.493 1.00 0.00 C ATOM 0 HA PRO A 6 -1.046 -18.952 3.100 1.00 0.00 H new ATOM 0 HB2 PRO A 6 1.836 -18.629 2.885 1.00 0.00 H new ATOM 0 HB3 PRO A 6 0.915 -18.826 4.363 1.00 0.00 H new ATOM 0 HG2 PRO A 6 2.713 -20.689 3.365 1.00 0.00 H new ATOM 0 HG3 PRO A 6 1.456 -21.044 4.534 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.493 -21.617 1.572 1.00 0.00 H new ATOM 0 HD3 PRO A 6 0.748 -22.541 2.861 1.00 0.00 H new ATOM 91 N THR A 7 -1.233 -18.107 0.771 1.00 0.00 N ATOM 92 CA THR A 7 -1.270 -17.339 -0.469 1.00 0.00 C ATOM 93 C THR A 7 -0.769 -15.913 -0.241 1.00 0.00 C ATOM 94 O THR A 7 -0.249 -15.591 0.828 1.00 0.00 O ATOM 95 CB THR A 7 -2.703 -17.301 -1.014 1.00 0.00 C ATOM 96 OG1 THR A 7 -3.515 -16.508 -0.158 1.00 0.00 O ATOM 97 CG2 THR A 7 -3.266 -18.723 -1.085 1.00 0.00 C ATOM 0 H THR A 7 -2.144 -18.256 1.205 1.00 0.00 H new ATOM 0 HA THR A 7 -0.616 -17.824 -1.193 1.00 0.00 H new ATOM 0 HB THR A 7 -2.698 -16.867 -2.014 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.430 -16.482 -0.507 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.284 -18.692 -1.473 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.644 -19.328 -1.745 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.271 -19.163 -0.088 1.00 0.00 H new ATOM 105 N MET A 8 -0.935 -15.065 -1.257 1.00 0.00 N ATOM 106 CA MET A 8 -0.506 -13.669 -1.170 1.00 0.00 C ATOM 107 C MET A 8 -1.067 -13.011 0.089 1.00 0.00 C ATOM 108 O MET A 8 -0.346 -12.327 0.816 1.00 0.00 O ATOM 109 CB MET A 8 -0.982 -12.898 -2.406 1.00 0.00 C ATOM 110 CG MET A 8 0.033 -13.054 -3.542 1.00 0.00 C ATOM 111 SD MET A 8 0.466 -14.802 -3.740 1.00 0.00 S ATOM 112 CE MET A 8 -0.654 -15.165 -5.115 1.00 0.00 C ATOM 0 H MET A 8 -1.362 -15.320 -2.147 1.00 0.00 H new ATOM 0 HA MET A 8 0.583 -13.646 -1.123 1.00 0.00 H new ATOM 0 HB2 MET A 8 -1.956 -13.269 -2.724 1.00 0.00 H new ATOM 0 HB3 MET A 8 -1.107 -11.843 -2.161 1.00 0.00 H new ATOM 0 HG2 MET A 8 -0.384 -12.665 -4.471 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.928 -12.470 -3.326 1.00 0.00 H new ATOM 0 HE1 MET A 8 -0.549 -16.211 -5.403 1.00 0.00 H new ATOM 0 HE2 MET A 8 -1.682 -14.975 -4.807 1.00 0.00 H new ATOM 0 HE3 MET A 8 -0.406 -14.528 -5.964 1.00 0.00 H new ATOM 122 N PHE A 9 -2.362 -13.229 0.332 1.00 0.00 N ATOM 123 CA PHE A 9 -3.041 -12.665 1.499 1.00 0.00 C ATOM 124 C PHE A 9 -2.161 -12.743 2.747 1.00 0.00 C ATOM 125 O PHE A 9 -2.177 -11.844 3.588 1.00 0.00 O ATOM 126 CB PHE A 9 -4.347 -13.425 1.747 1.00 0.00 C ATOM 127 CG PHE A 9 -5.292 -12.565 2.556 1.00 0.00 C ATOM 128 CD1 PHE A 9 -5.209 -12.557 3.954 1.00 0.00 C ATOM 129 CD2 PHE A 9 -6.255 -11.780 1.907 1.00 0.00 C ATOM 130 CE1 PHE A 9 -6.087 -11.765 4.702 1.00 0.00 C ATOM 131 CE2 PHE A 9 -7.132 -10.988 2.656 1.00 0.00 C ATOM 132 CZ PHE A 9 -7.048 -10.980 4.053 1.00 0.00 C ATOM 0 H PHE A 9 -2.963 -13.795 -0.268 1.00 0.00 H new ATOM 0 HA PHE A 9 -3.251 -11.615 1.296 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -4.808 -13.694 0.797 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.143 -14.355 2.277 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.467 -13.162 4.455 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -6.320 -11.787 0.829 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.024 -11.759 5.780 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -7.874 -10.383 2.156 1.00 0.00 H new ATOM 0 HZ PHE A 9 -7.725 -10.368 4.631 1.00 0.00 H new ATOM 142 N ASP A 10 -1.402 -13.826 2.858 1.00 0.00 N ATOM 143 CA ASP A 10 -0.519 -14.020 4.002 1.00 0.00 C ATOM 144 C ASP A 10 0.524 -12.903 4.091 1.00 0.00 C ATOM 145 O ASP A 10 0.564 -12.157 5.069 1.00 0.00 O ATOM 146 CB ASP A 10 0.184 -15.380 3.888 1.00 0.00 C ATOM 147 CG ASP A 10 0.955 -15.703 5.169 1.00 0.00 C ATOM 148 OD1 ASP A 10 0.594 -15.183 6.213 1.00 0.00 O ATOM 149 OD2 ASP A 10 1.897 -16.475 5.086 1.00 0.00 O ATOM 0 H ASP A 10 -1.380 -14.581 2.173 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.123 -13.994 4.909 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -0.553 -16.160 3.695 1.00 0.00 H new ATOM 0 HB3 ASP A 10 0.868 -15.371 3.039 1.00 0.00 H new ATOM 154 N GLN A 11 1.370 -12.812 3.066 1.00 0.00 N ATOM 155 CA GLN A 11 2.434 -11.802 3.022 1.00 0.00 C ATOM 156 C GLN A 11 1.883 -10.389 3.071 1.00 0.00 C ATOM 157 O GLN A 11 2.312 -9.590 3.901 1.00 0.00 O ATOM 158 CB GLN A 11 3.258 -11.978 1.743 1.00 0.00 C ATOM 159 CG GLN A 11 4.747 -12.044 2.093 1.00 0.00 C ATOM 160 CD GLN A 11 5.595 -11.746 0.858 1.00 0.00 C ATOM 161 OE1 GLN A 11 6.738 -11.307 0.983 1.00 0.00 O ATOM 162 NE2 GLN A 11 5.103 -11.961 -0.332 1.00 0.00 N ATOM 0 H GLN A 11 1.342 -13.426 2.252 1.00 0.00 H new ATOM 0 HA GLN A 11 3.060 -11.948 3.902 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.955 -12.889 1.226 1.00 0.00 H new ATOM 0 HB3 GLN A 11 3.071 -11.148 1.062 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.975 -11.326 2.881 1.00 0.00 H new ATOM 0 HG3 GLN A 11 4.993 -13.032 2.482 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.156 -12.325 -0.434 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.666 -11.765 -1.160 1.00 0.00 H new ATOM 171 N VAL A 12 0.949 -10.071 2.184 1.00 0.00 N ATOM 172 CA VAL A 12 0.386 -8.733 2.157 1.00 0.00 C ATOM 173 C VAL A 12 -0.077 -8.338 3.544 1.00 0.00 C ATOM 174 O VAL A 12 0.412 -7.367 4.114 1.00 0.00 O ATOM 175 CB VAL A 12 -0.784 -8.663 1.176 1.00 0.00 C ATOM 176 CG1 VAL A 12 -0.307 -9.118 -0.186 1.00 0.00 C ATOM 177 CG2 VAL A 12 -1.922 -9.579 1.625 1.00 0.00 C ATOM 0 H VAL A 12 0.572 -10.711 1.485 1.00 0.00 H new ATOM 0 HA VAL A 12 1.158 -8.038 1.827 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.149 -7.637 1.137 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.134 -9.072 -0.895 1.00 0.00 H new ATOM 0 HG12 VAL A 12 0.499 -8.467 -0.526 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.058 -10.143 -0.120 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.744 -9.514 0.913 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.564 -10.607 1.673 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.270 -9.270 2.611 1.00 0.00 H new ATOM 187 N ALA A 13 -1.009 -9.100 4.089 1.00 0.00 N ATOM 188 CA ALA A 13 -1.507 -8.810 5.410 1.00 0.00 C ATOM 189 C ALA A 13 -0.344 -8.676 6.392 1.00 0.00 C ATOM 190 O ALA A 13 -0.366 -7.837 7.294 1.00 0.00 O ATOM 191 CB ALA A 13 -2.460 -9.912 5.874 1.00 0.00 C ATOM 0 H ALA A 13 -1.428 -9.914 3.639 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.053 -7.867 5.377 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.827 -9.678 6.873 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.302 -9.979 5.184 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.931 -10.865 5.895 1.00 0.00 H new ATOM 197 N GLU A 14 0.668 -9.524 6.200 1.00 0.00 N ATOM 198 CA GLU A 14 1.851 -9.520 7.062 1.00 0.00 C ATOM 199 C GLU A 14 2.593 -8.188 6.992 1.00 0.00 C ATOM 200 O GLU A 14 2.766 -7.513 8.007 1.00 0.00 O ATOM 201 CB GLU A 14 2.805 -10.653 6.664 1.00 0.00 C ATOM 202 CG GLU A 14 3.705 -11.010 7.853 1.00 0.00 C ATOM 203 CD GLU A 14 4.726 -9.899 8.095 1.00 0.00 C ATOM 204 OE1 GLU A 14 5.488 -9.609 7.187 1.00 0.00 O ATOM 205 OE2 GLU A 14 4.730 -9.352 9.187 1.00 0.00 O ATOM 0 H GLU A 14 0.692 -10.221 5.456 1.00 0.00 H new ATOM 0 HA GLU A 14 1.508 -9.670 8.086 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.236 -11.528 6.350 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.414 -10.347 5.813 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.098 -11.157 8.746 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.220 -11.951 7.659 1.00 0.00 H new ATOM 212 N VAL A 15 3.059 -7.828 5.794 1.00 0.00 N ATOM 213 CA VAL A 15 3.814 -6.583 5.626 1.00 0.00 C ATOM 214 C VAL A 15 3.027 -5.370 6.128 1.00 0.00 C ATOM 215 O VAL A 15 3.587 -4.511 6.809 1.00 0.00 O ATOM 216 CB VAL A 15 4.215 -6.374 4.157 1.00 0.00 C ATOM 217 CG1 VAL A 15 5.262 -7.417 3.762 1.00 0.00 C ATOM 218 CG2 VAL A 15 2.992 -6.513 3.247 1.00 0.00 C ATOM 0 H VAL A 15 2.931 -8.370 4.939 1.00 0.00 H new ATOM 0 HA VAL A 15 4.717 -6.676 6.229 1.00 0.00 H new ATOM 0 HB VAL A 15 4.629 -5.372 4.043 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.547 -7.270 2.720 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.141 -7.309 4.398 1.00 0.00 H new ATOM 0 HG13 VAL A 15 4.845 -8.416 3.886 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.291 -6.362 2.210 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.565 -7.510 3.361 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.247 -5.766 3.522 1.00 0.00 H new ATOM 228 N ILE A 16 1.735 -5.299 5.804 1.00 0.00 N ATOM 229 CA ILE A 16 0.916 -4.171 6.255 1.00 0.00 C ATOM 230 C ILE A 16 1.028 -4.016 7.769 1.00 0.00 C ATOM 231 O ILE A 16 1.267 -2.920 8.276 1.00 0.00 O ATOM 232 CB ILE A 16 -0.557 -4.378 5.871 1.00 0.00 C ATOM 233 CG1 ILE A 16 -0.702 -4.483 4.344 1.00 0.00 C ATOM 234 CG2 ILE A 16 -1.389 -3.195 6.376 1.00 0.00 C ATOM 235 CD1 ILE A 16 0.143 -3.409 3.655 1.00 0.00 C ATOM 0 H ILE A 16 1.241 -5.993 5.243 1.00 0.00 H new ATOM 0 HA ILE A 16 1.283 -3.268 5.767 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.911 -5.303 6.327 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.389 -5.472 4.009 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.749 -4.368 4.063 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.434 -3.342 6.103 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.303 -3.126 7.460 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.023 -2.273 5.924 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.031 -3.495 2.574 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.190 -2.422 3.977 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.191 -3.543 3.923 1.00 0.00 H new ATOM 247 N GLU A 17 0.859 -5.127 8.482 1.00 0.00 N ATOM 248 CA GLU A 17 0.946 -5.120 9.939 1.00 0.00 C ATOM 249 C GLU A 17 2.263 -4.495 10.397 1.00 0.00 C ATOM 250 O GLU A 17 2.284 -3.669 11.309 1.00 0.00 O ATOM 251 CB GLU A 17 0.842 -6.552 10.469 1.00 0.00 C ATOM 252 CG GLU A 17 0.742 -6.532 11.997 1.00 0.00 C ATOM 253 CD GLU A 17 0.410 -7.929 12.518 1.00 0.00 C ATOM 254 OE1 GLU A 17 1.142 -8.851 12.195 1.00 0.00 O ATOM 255 OE2 GLU A 17 -0.569 -8.055 13.235 1.00 0.00 O ATOM 0 H GLU A 17 0.662 -6.041 8.075 1.00 0.00 H new ATOM 0 HA GLU A 17 0.123 -4.524 10.334 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.033 -7.044 10.044 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.714 -7.129 10.160 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.683 -6.189 12.427 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.027 -5.826 12.310 1.00 0.00 H new ATOM 262 N ARG A 18 3.357 -4.905 9.760 1.00 0.00 N ATOM 263 CA ARG A 18 4.683 -4.392 10.100 1.00 0.00 C ATOM 264 C ARG A 18 4.826 -2.918 9.713 1.00 0.00 C ATOM 265 O ARG A 18 5.470 -2.142 10.418 1.00 0.00 O ATOM 266 CB ARG A 18 5.752 -5.216 9.376 1.00 0.00 C ATOM 267 CG ARG A 18 7.140 -4.857 9.919 1.00 0.00 C ATOM 268 CD ARG A 18 8.185 -5.812 9.335 1.00 0.00 C ATOM 269 NE ARG A 18 7.907 -7.182 9.760 1.00 0.00 N ATOM 270 CZ ARG A 18 8.889 -8.049 9.993 1.00 0.00 C ATOM 271 NH1 ARG A 18 9.947 -7.678 10.661 1.00 0.00 N ATOM 272 NH2 ARG A 18 8.791 -9.276 9.561 1.00 0.00 N ATOM 0 H ARG A 18 3.352 -5.591 9.005 1.00 0.00 H new ATOM 0 HA ARG A 18 4.813 -4.475 11.179 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.561 -6.280 9.516 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.709 -5.023 8.304 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.388 -3.828 9.659 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.143 -4.920 11.007 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.176 -5.752 8.247 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.182 -5.517 9.662 1.00 0.00 H new ATOM 0 HE ARG A 18 6.939 -7.480 9.881 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.023 -6.721 11.006 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.698 -8.345 10.838 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.962 -9.570 9.045 1.00 0.00 H new ATOM 0 HH22 ARG A 18 9.544 -9.941 9.739 1.00 0.00 H new ATOM 286 N LEU A 19 4.239 -2.550 8.579 1.00 0.00 N ATOM 287 CA LEU A 19 4.322 -1.175 8.088 1.00 0.00 C ATOM 288 C LEU A 19 3.441 -0.232 8.907 1.00 0.00 C ATOM 289 O LEU A 19 3.772 0.941 9.076 1.00 0.00 O ATOM 290 CB LEU A 19 3.890 -1.130 6.617 1.00 0.00 C ATOM 291 CG LEU A 19 5.126 -1.191 5.710 1.00 0.00 C ATOM 292 CD1 LEU A 19 5.809 -2.556 5.846 1.00 0.00 C ATOM 293 CD2 LEU A 19 4.697 -0.981 4.254 1.00 0.00 C ATOM 0 H LEU A 19 3.702 -3.180 7.983 1.00 0.00 H new ATOM 0 HA LEU A 19 5.355 -0.843 8.187 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.225 -1.966 6.398 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.329 -0.216 6.421 1.00 0.00 H new ATOM 0 HG LEU A 19 5.826 -0.410 6.006 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.685 -2.590 5.199 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.116 -2.708 6.881 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.112 -3.342 5.555 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.573 -1.024 3.607 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.994 -1.763 3.965 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.218 -0.007 4.153 1.00 0.00 H new ATOM 305 N ARG A 20 2.317 -0.747 9.400 1.00 0.00 N ATOM 306 CA ARG A 20 1.386 0.059 10.187 1.00 0.00 C ATOM 307 C ARG A 20 2.115 0.959 11.194 1.00 0.00 C ATOM 308 O ARG A 20 2.026 2.180 11.105 1.00 0.00 O ATOM 309 CB ARG A 20 0.390 -0.847 10.920 1.00 0.00 C ATOM 310 CG ARG A 20 -0.921 -0.913 10.127 1.00 0.00 C ATOM 311 CD ARG A 20 -1.974 -1.681 10.930 1.00 0.00 C ATOM 312 NE ARG A 20 -3.129 -1.981 10.089 1.00 0.00 N ATOM 313 CZ ARG A 20 -4.357 -1.613 10.444 1.00 0.00 C ATOM 314 NH1 ARG A 20 -4.903 -2.111 11.520 1.00 0.00 N ATOM 315 NH2 ARG A 20 -5.015 -0.754 9.717 1.00 0.00 N ATOM 0 H ARG A 20 2.029 -1.717 9.269 1.00 0.00 H new ATOM 0 HA ARG A 20 0.848 0.706 9.494 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.808 -1.847 11.035 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.202 -0.463 11.922 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.278 0.094 9.912 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.753 -1.403 9.168 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.545 -2.606 11.315 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.286 -1.091 11.792 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.992 -2.483 9.212 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.388 -2.783 12.089 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.845 -1.828 11.792 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -4.588 -0.364 8.876 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.957 -0.471 9.989 1.00 0.00 H new ATOM 329 N PRO A 21 2.818 0.386 12.146 1.00 0.00 N ATOM 330 CA PRO A 21 3.555 1.163 13.188 1.00 0.00 C ATOM 331 C PRO A 21 4.363 2.328 12.606 1.00 0.00 C ATOM 332 O PRO A 21 4.456 3.391 13.221 1.00 0.00 O ATOM 333 CB PRO A 21 4.485 0.140 13.858 1.00 0.00 C ATOM 334 CG PRO A 21 4.254 -1.178 13.181 1.00 0.00 C ATOM 335 CD PRO A 21 2.986 -1.057 12.335 1.00 0.00 C ATOM 0 HA PRO A 21 2.858 1.627 13.886 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.527 0.445 13.761 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.272 0.067 14.925 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.107 -1.440 12.555 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.145 -1.972 13.920 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.092 -1.574 11.381 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.126 -1.495 12.841 1.00 0.00 H new ATOM 343 N PHE A 22 4.945 2.123 11.423 1.00 0.00 N ATOM 344 CA PHE A 22 5.742 3.169 10.781 1.00 0.00 C ATOM 345 C PHE A 22 4.835 4.243 10.183 1.00 0.00 C ATOM 346 O PHE A 22 4.906 5.416 10.563 1.00 0.00 O ATOM 347 CB PHE A 22 6.614 2.563 9.673 1.00 0.00 C ATOM 348 CG PHE A 22 7.783 1.827 10.288 1.00 0.00 C ATOM 349 CD1 PHE A 22 8.949 2.525 10.629 1.00 0.00 C ATOM 350 CD2 PHE A 22 7.702 0.447 10.517 1.00 0.00 C ATOM 351 CE1 PHE A 22 10.032 1.843 11.198 1.00 0.00 C ATOM 352 CE2 PHE A 22 8.785 -0.234 11.086 1.00 0.00 C ATOM 353 CZ PHE A 22 9.949 0.464 11.427 1.00 0.00 C ATOM 0 H PHE A 22 4.881 1.253 10.895 1.00 0.00 H new ATOM 0 HA PHE A 22 6.381 3.625 11.537 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.022 1.880 9.064 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.975 3.349 9.010 1.00 0.00 H new ATOM 0 HD1 PHE A 22 9.013 3.589 10.453 1.00 0.00 H new ATOM 0 HD2 PHE A 22 6.804 -0.092 10.254 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.931 2.381 11.460 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.722 -1.298 11.262 1.00 0.00 H new ATOM 0 HZ PHE A 22 10.784 -0.061 11.867 1.00 0.00 H new ATOM 363 N LEU A 23 3.981 3.835 9.251 1.00 0.00 N ATOM 364 CA LEU A 23 3.061 4.770 8.614 1.00 0.00 C ATOM 365 C LEU A 23 2.178 5.429 9.667 1.00 0.00 C ATOM 366 O LEU A 23 1.980 6.641 9.657 1.00 0.00 O ATOM 367 CB LEU A 23 2.186 4.042 7.589 1.00 0.00 C ATOM 368 CG LEU A 23 3.061 3.210 6.641 1.00 0.00 C ATOM 369 CD1 LEU A 23 2.188 2.632 5.523 1.00 0.00 C ATOM 370 CD2 LEU A 23 4.154 4.096 6.030 1.00 0.00 C ATOM 0 H LEU A 23 3.906 2.872 8.922 1.00 0.00 H new ATOM 0 HA LEU A 23 3.643 5.536 8.101 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.475 3.394 8.102 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.604 4.765 7.018 1.00 0.00 H new ATOM 0 HG LEU A 23 3.528 2.399 7.199 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.806 2.040 4.848 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.415 1.998 5.956 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.721 3.446 4.968 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.772 3.500 5.358 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.692 4.911 5.472 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.776 4.508 6.825 1.00 0.00 H new ATOM 382 N LEU A 24 1.663 4.614 10.583 1.00 0.00 N ATOM 383 CA LEU A 24 0.807 5.109 11.657 1.00 0.00 C ATOM 384 C LEU A 24 1.482 6.273 12.370 1.00 0.00 C ATOM 385 O LEU A 24 0.838 7.269 12.705 1.00 0.00 O ATOM 386 CB LEU A 24 0.533 3.972 12.653 1.00 0.00 C ATOM 387 CG LEU A 24 -0.192 4.507 13.895 1.00 0.00 C ATOM 388 CD1 LEU A 24 -1.501 5.186 13.484 1.00 0.00 C ATOM 389 CD2 LEU A 24 -0.496 3.340 14.839 1.00 0.00 C ATOM 0 H LEU A 24 1.824 3.607 10.603 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.136 5.458 11.235 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.072 3.201 12.176 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.473 3.504 12.947 1.00 0.00 H new ATOM 0 HG LEU A 24 0.443 5.236 14.399 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.010 5.563 14.371 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.285 6.015 12.810 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.142 4.464 12.978 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.011 3.713 15.724 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.130 2.615 14.329 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.436 2.861 15.137 1.00 0.00 H new ATOM 401 N ARG A 25 2.782 6.136 12.598 1.00 0.00 N ATOM 402 CA ARG A 25 3.545 7.174 13.273 1.00 0.00 C ATOM 403 C ARG A 25 3.473 8.500 12.517 1.00 0.00 C ATOM 404 O ARG A 25 3.131 9.530 13.099 1.00 0.00 O ATOM 405 CB ARG A 25 5.008 6.741 13.424 1.00 0.00 C ATOM 406 CG ARG A 25 5.239 6.194 14.835 1.00 0.00 C ATOM 407 CD ARG A 25 6.517 5.349 14.857 1.00 0.00 C ATOM 408 NE ARG A 25 7.087 5.321 16.202 1.00 0.00 N ATOM 409 CZ ARG A 25 6.546 4.588 17.174 1.00 0.00 C ATOM 410 NH1 ARG A 25 5.403 3.983 16.984 1.00 0.00 N ATOM 411 NH2 ARG A 25 7.159 4.472 18.322 1.00 0.00 N ATOM 0 H ARG A 25 3.327 5.318 12.326 1.00 0.00 H new ATOM 0 HA ARG A 25 3.106 7.321 14.260 1.00 0.00 H new ATOM 0 HB2 ARG A 25 5.250 5.979 12.683 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.669 7.587 13.238 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.323 7.016 15.545 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.386 5.590 15.146 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.295 4.334 14.528 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.244 5.759 14.156 1.00 0.00 H new ATOM 0 HE ARG A 25 7.919 5.876 16.402 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.922 4.071 16.089 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.992 3.423 17.731 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.051 4.943 18.474 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.745 3.911 19.067 1.00 0.00 H new ATOM 425 N ASP A 26 3.825 8.483 11.227 1.00 0.00 N ATOM 426 CA ASP A 26 3.815 9.719 10.440 1.00 0.00 C ATOM 427 C ASP A 26 2.576 9.853 9.546 1.00 0.00 C ATOM 428 O ASP A 26 1.829 10.825 9.665 1.00 0.00 O ATOM 429 CB ASP A 26 5.072 9.785 9.572 1.00 0.00 C ATOM 430 CG ASP A 26 6.325 9.702 10.442 1.00 0.00 C ATOM 431 OD1 ASP A 26 6.383 10.412 11.434 1.00 0.00 O ATOM 432 OD2 ASP A 26 7.208 8.933 10.103 1.00 0.00 O ATOM 0 H ASP A 26 4.114 7.649 10.716 1.00 0.00 H new ATOM 0 HA ASP A 26 3.791 10.545 11.151 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.067 8.967 8.851 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.079 10.713 9.001 1.00 0.00 H new ATOM 437 N GLY A 27 2.372 8.897 8.637 1.00 0.00 N ATOM 438 CA GLY A 27 1.232 8.964 7.723 1.00 0.00 C ATOM 439 C GLY A 27 -0.057 8.488 8.385 1.00 0.00 C ATOM 440 O GLY A 27 -0.897 9.298 8.777 1.00 0.00 O ATOM 0 H GLY A 27 2.971 8.080 8.515 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.105 9.989 7.376 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.435 8.353 6.844 1.00 0.00 H new ATOM 444 N GLY A 28 -0.211 7.171 8.503 1.00 0.00 N ATOM 445 CA GLY A 28 -1.407 6.603 9.115 1.00 0.00 C ATOM 446 C GLY A 28 -1.453 5.090 8.929 1.00 0.00 C ATOM 447 O GLY A 28 -0.425 4.419 8.989 1.00 0.00 O ATOM 0 H GLY A 28 0.472 6.483 8.185 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -1.424 6.843 10.178 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.295 7.054 8.672 1.00 0.00 H new ATOM 451 N ASP A 29 -2.653 4.557 8.709 1.00 0.00 N ATOM 452 CA ASP A 29 -2.817 3.118 8.523 1.00 0.00 C ATOM 453 C ASP A 29 -3.166 2.786 7.075 1.00 0.00 C ATOM 454 O ASP A 29 -3.540 3.664 6.294 1.00 0.00 O ATOM 455 CB ASP A 29 -3.921 2.595 9.451 1.00 0.00 C ATOM 456 CG ASP A 29 -3.331 2.178 10.799 1.00 0.00 C ATOM 457 OD1 ASP A 29 -2.339 2.763 11.201 1.00 0.00 O ATOM 458 OD2 ASP A 29 -3.886 1.280 11.411 1.00 0.00 O ATOM 0 H ASP A 29 -3.518 5.094 8.656 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.871 2.635 8.768 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.676 3.367 9.600 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.422 1.745 8.988 1.00 0.00 H new ATOM 463 N CYS A 30 -3.036 1.506 6.735 1.00 0.00 N ATOM 464 CA CYS A 30 -3.336 1.032 5.388 1.00 0.00 C ATOM 465 C CYS A 30 -4.321 -0.132 5.456 1.00 0.00 C ATOM 466 O CYS A 30 -4.441 -0.790 6.491 1.00 0.00 O ATOM 467 CB CYS A 30 -2.047 0.581 4.697 1.00 0.00 C ATOM 468 SG CYS A 30 -2.441 -0.143 3.086 1.00 0.00 S ATOM 0 H CYS A 30 -2.724 0.777 7.377 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.783 1.845 4.815 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.374 1.429 4.571 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.526 -0.149 5.317 1.00 0.00 H new ATOM 0 HG CYS A 30 -1.344 -0.523 2.501 1.00 0.00 H new ATOM 474 N THR A 31 -5.030 -0.377 4.356 1.00 0.00 N ATOM 475 CA THR A 31 -6.008 -1.462 4.318 1.00 0.00 C ATOM 476 C THR A 31 -6.148 -2.030 2.908 1.00 0.00 C ATOM 477 O THR A 31 -6.479 -1.309 1.966 1.00 0.00 O ATOM 478 CB THR A 31 -7.370 -0.947 4.800 1.00 0.00 C ATOM 479 OG1 THR A 31 -7.232 -0.394 6.100 1.00 0.00 O ATOM 480 CG2 THR A 31 -8.378 -2.100 4.839 1.00 0.00 C ATOM 0 H THR A 31 -4.948 0.154 3.489 1.00 0.00 H new ATOM 0 HA THR A 31 -5.658 -2.258 4.975 1.00 0.00 H new ATOM 0 HB THR A 31 -7.729 -0.181 4.113 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.101 -0.063 6.409 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.343 -1.728 5.182 1.00 0.00 H new ATOM 0 HG22 THR A 31 -8.486 -2.523 3.840 1.00 0.00 H new ATOM 0 HG23 THR A 31 -8.023 -2.871 5.523 1.00 0.00 H new ATOM 488 N LEU A 32 -5.903 -3.332 2.780 1.00 0.00 N ATOM 489 CA LEU A 32 -6.014 -4.008 1.490 1.00 0.00 C ATOM 490 C LEU A 32 -7.479 -4.074 1.063 1.00 0.00 C ATOM 491 O LEU A 32 -8.337 -4.509 1.832 1.00 0.00 O ATOM 492 CB LEU A 32 -5.441 -5.427 1.602 1.00 0.00 C ATOM 493 CG LEU A 32 -4.732 -5.813 0.300 1.00 0.00 C ATOM 494 CD1 LEU A 32 -4.087 -7.193 0.460 1.00 0.00 C ATOM 495 CD2 LEU A 32 -5.747 -5.859 -0.847 1.00 0.00 C ATOM 0 H LEU A 32 -5.627 -3.939 3.552 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.451 -3.450 0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.741 -5.480 2.436 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.242 -6.135 1.813 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.964 -5.073 0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.582 -7.468 -0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.362 -7.164 1.273 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.857 -7.930 0.687 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.239 -6.134 -1.771 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.517 -6.597 -0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.208 -4.878 -0.964 1.00 0.00 H new ATOM 507 N VAL A 33 -7.758 -3.628 -0.160 1.00 0.00 N ATOM 508 CA VAL A 33 -9.126 -3.628 -0.673 1.00 0.00 C ATOM 509 C VAL A 33 -9.388 -4.852 -1.546 1.00 0.00 C ATOM 510 O VAL A 33 -10.471 -5.436 -1.489 1.00 0.00 O ATOM 511 CB VAL A 33 -9.374 -2.349 -1.484 1.00 0.00 C ATOM 512 CG1 VAL A 33 -10.691 -2.466 -2.260 1.00 0.00 C ATOM 513 CG2 VAL A 33 -9.449 -1.152 -0.531 1.00 0.00 C ATOM 0 H VAL A 33 -7.061 -3.265 -0.810 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.809 -3.664 0.176 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.556 -2.208 -2.190 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -10.858 -1.554 -2.832 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -10.638 -3.316 -2.940 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -11.514 -2.611 -1.560 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -9.625 -0.241 -1.104 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.266 -1.300 0.175 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -8.510 -1.062 0.014 1.00 0.00 H new ATOM 523 N ASP A 34 -8.406 -5.233 -2.363 1.00 0.00 N ATOM 524 CA ASP A 34 -8.581 -6.385 -3.244 1.00 0.00 C ATOM 525 C ASP A 34 -7.242 -7.013 -3.624 1.00 0.00 C ATOM 526 O ASP A 34 -6.406 -6.374 -4.263 1.00 0.00 O ATOM 527 CB ASP A 34 -9.319 -5.946 -4.515 1.00 0.00 C ATOM 528 CG ASP A 34 -9.825 -7.163 -5.286 1.00 0.00 C ATOM 529 OD1 ASP A 34 -9.000 -7.904 -5.793 1.00 0.00 O ATOM 530 OD2 ASP A 34 -11.030 -7.334 -5.361 1.00 0.00 O ATOM 0 H ASP A 34 -7.499 -4.771 -2.433 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.163 -7.135 -2.708 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -10.157 -5.301 -4.252 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.651 -5.360 -5.146 1.00 0.00 H new ATOM 535 N VAL A 35 -7.061 -8.280 -3.245 1.00 0.00 N ATOM 536 CA VAL A 35 -5.833 -9.005 -3.569 1.00 0.00 C ATOM 537 C VAL A 35 -5.924 -9.539 -4.998 1.00 0.00 C ATOM 538 O VAL A 35 -6.997 -9.946 -5.444 1.00 0.00 O ATOM 539 CB VAL A 35 -5.628 -10.164 -2.579 1.00 0.00 C ATOM 540 CG1 VAL A 35 -6.749 -11.196 -2.738 1.00 0.00 C ATOM 541 CG2 VAL A 35 -4.274 -10.834 -2.844 1.00 0.00 C ATOM 0 H VAL A 35 -7.745 -8.821 -2.717 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.981 -8.330 -3.491 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.648 -9.770 -1.563 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.595 -12.013 -2.033 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.710 -10.722 -2.540 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.741 -11.589 -3.755 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.131 -11.655 -2.141 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.252 -11.220 -3.863 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.475 -10.103 -2.716 1.00 0.00 H new ATOM 551 N GLU A 36 -4.808 -9.510 -5.722 1.00 0.00 N ATOM 552 CA GLU A 36 -4.806 -9.969 -7.111 1.00 0.00 C ATOM 553 C GLU A 36 -3.397 -10.340 -7.587 1.00 0.00 C ATOM 554 O GLU A 36 -2.516 -10.638 -6.780 1.00 0.00 O ATOM 555 CB GLU A 36 -5.423 -8.878 -7.997 1.00 0.00 C ATOM 556 CG GLU A 36 -4.359 -7.892 -8.476 1.00 0.00 C ATOM 557 CD GLU A 36 -3.345 -7.604 -7.368 1.00 0.00 C ATOM 558 OE1 GLU A 36 -3.769 -7.341 -6.262 1.00 0.00 O ATOM 559 OE2 GLU A 36 -2.158 -7.652 -7.645 1.00 0.00 O ATOM 0 H GLU A 36 -3.906 -9.179 -5.379 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.405 -10.877 -7.183 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.912 -9.336 -8.857 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.193 -8.345 -7.440 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.846 -8.299 -9.347 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.834 -6.963 -8.791 1.00 0.00 H new ATOM 566 N ASP A 37 -3.207 -10.337 -8.908 1.00 0.00 N ATOM 567 CA ASP A 37 -1.920 -10.693 -9.505 1.00 0.00 C ATOM 568 C ASP A 37 -0.995 -9.486 -9.658 1.00 0.00 C ATOM 569 O ASP A 37 0.190 -9.562 -9.328 1.00 0.00 O ATOM 570 CB ASP A 37 -2.159 -11.317 -10.883 1.00 0.00 C ATOM 571 CG ASP A 37 -1.373 -12.618 -11.015 1.00 0.00 C ATOM 572 OD1 ASP A 37 -1.888 -13.645 -10.603 1.00 0.00 O ATOM 573 OD2 ASP A 37 -0.267 -12.570 -11.530 1.00 0.00 O ATOM 0 H ASP A 37 -3.930 -10.092 -9.585 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.432 -11.401 -8.835 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.223 -11.510 -11.023 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.856 -10.619 -11.664 1.00 0.00 H new ATOM 578 N GLY A 38 -1.529 -8.381 -10.171 1.00 0.00 N ATOM 579 CA GLY A 38 -0.720 -7.178 -10.372 1.00 0.00 C ATOM 580 C GLY A 38 -1.577 -5.917 -10.420 1.00 0.00 C ATOM 581 O GLY A 38 -1.195 -4.922 -11.037 1.00 0.00 O ATOM 0 H GLY A 38 -2.505 -8.291 -10.453 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.008 -7.091 -9.566 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.157 -7.270 -11.301 1.00 0.00 H new ATOM 585 N ILE A 39 -2.728 -5.962 -9.755 1.00 0.00 N ATOM 586 CA ILE A 39 -3.638 -4.812 -9.712 1.00 0.00 C ATOM 587 C ILE A 39 -4.324 -4.765 -8.346 1.00 0.00 C ATOM 588 O ILE A 39 -5.549 -4.858 -8.245 1.00 0.00 O ATOM 589 CB ILE A 39 -4.714 -4.922 -10.812 1.00 0.00 C ATOM 590 CG1 ILE A 39 -4.124 -5.539 -12.090 1.00 0.00 C ATOM 591 CG2 ILE A 39 -5.262 -3.530 -11.136 1.00 0.00 C ATOM 592 CD1 ILE A 39 -4.203 -7.067 -12.011 1.00 0.00 C ATOM 0 H ILE A 39 -3.056 -6.778 -9.239 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.059 -3.904 -9.878 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.515 -5.564 -10.446 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.670 -5.182 -12.963 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.087 -5.225 -12.212 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -6.022 -3.610 -11.913 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.704 -3.095 -10.240 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.451 -2.892 -11.486 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.784 -7.500 -12.919 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.637 -7.416 -11.147 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.244 -7.373 -11.910 1.00 0.00 H new ATOM 604 N VAL A 40 -3.517 -4.655 -7.296 1.00 0.00 N ATOM 605 CA VAL A 40 -4.041 -4.639 -5.932 1.00 0.00 C ATOM 606 C VAL A 40 -4.611 -3.277 -5.548 1.00 0.00 C ATOM 607 O VAL A 40 -3.943 -2.247 -5.665 1.00 0.00 O ATOM 608 CB VAL A 40 -2.920 -5.041 -4.954 1.00 0.00 C ATOM 609 CG1 VAL A 40 -2.171 -3.805 -4.456 1.00 0.00 C ATOM 610 CG2 VAL A 40 -3.516 -5.784 -3.753 1.00 0.00 C ATOM 0 H VAL A 40 -2.502 -4.576 -7.361 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.862 -5.354 -5.878 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.223 -5.692 -5.482 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.384 -4.110 -3.767 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.729 -3.282 -5.304 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.866 -3.141 -3.942 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.718 -6.065 -3.066 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.225 -5.135 -3.239 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.030 -6.681 -4.099 1.00 0.00 H new ATOM 620 N LYS A 41 -5.848 -3.290 -5.057 1.00 0.00 N ATOM 621 CA LYS A 41 -6.501 -2.064 -4.611 1.00 0.00 C ATOM 622 C LYS A 41 -6.212 -1.869 -3.127 1.00 0.00 C ATOM 623 O LYS A 41 -6.110 -2.844 -2.383 1.00 0.00 O ATOM 624 CB LYS A 41 -8.011 -2.136 -4.850 1.00 0.00 C ATOM 625 CG LYS A 41 -8.282 -2.496 -6.314 1.00 0.00 C ATOM 626 CD LYS A 41 -9.662 -1.976 -6.725 1.00 0.00 C ATOM 627 CE LYS A 41 -10.008 -2.494 -8.123 1.00 0.00 C ATOM 628 NZ LYS A 41 -11.440 -2.214 -8.416 1.00 0.00 N ATOM 0 H LYS A 41 -6.415 -4.132 -4.959 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.112 -1.219 -5.180 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.458 -2.882 -4.193 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.474 -1.179 -4.608 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.514 -2.062 -6.954 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.235 -3.577 -6.448 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.414 -2.304 -6.008 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.669 -0.886 -6.718 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.373 -2.014 -8.868 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.816 -3.565 -8.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.675 -2.566 -9.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.038 -2.691 -7.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.609 -1.189 -8.375 1.00 0.00 H new ATOM 642 N LEU A 42 -6.063 -0.620 -2.701 1.00 0.00 N ATOM 643 CA LEU A 42 -5.766 -0.341 -1.299 1.00 0.00 C ATOM 644 C LEU A 42 -6.541 0.871 -0.795 1.00 0.00 C ATOM 645 O LEU A 42 -7.210 1.568 -1.562 1.00 0.00 O ATOM 646 CB LEU A 42 -4.267 -0.075 -1.132 1.00 0.00 C ATOM 647 CG LEU A 42 -3.507 -1.399 -1.003 1.00 0.00 C ATOM 648 CD1 LEU A 42 -2.145 -1.273 -1.689 1.00 0.00 C ATOM 649 CD2 LEU A 42 -3.301 -1.725 0.480 1.00 0.00 C ATOM 0 H LEU A 42 -6.141 0.205 -3.295 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.065 -1.212 -0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.892 0.486 -1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.095 0.539 -0.248 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.081 -2.196 -1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.603 -2.214 -1.598 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.289 -1.038 -2.744 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.571 -0.477 -1.215 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.760 -2.667 0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.726 -0.928 0.951 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.270 -1.812 0.971 1.00 0.00 H new ATOM 661 N GLN A 43 -6.419 1.117 0.505 1.00 0.00 N ATOM 662 CA GLN A 43 -7.080 2.245 1.146 1.00 0.00 C ATOM 663 C GLN A 43 -6.195 2.765 2.271 1.00 0.00 C ATOM 664 O GLN A 43 -5.764 1.998 3.134 1.00 0.00 O ATOM 665 CB GLN A 43 -8.443 1.815 1.700 1.00 0.00 C ATOM 666 CG GLN A 43 -9.564 2.422 0.845 1.00 0.00 C ATOM 667 CD GLN A 43 -10.749 1.465 0.763 1.00 0.00 C ATOM 668 OE1 GLN A 43 -10.995 0.655 1.757 1.00 0.00 O flip ATOM 669 NE2 GLN A 43 -11.471 1.454 -0.234 1.00 0.00 N flip ATOM 0 H GLN A 43 -5.863 0.544 1.139 1.00 0.00 H new ATOM 0 HA GLN A 43 -7.242 3.036 0.414 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -8.520 0.728 1.699 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -8.545 2.141 2.735 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -9.884 3.371 1.275 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -9.191 2.635 -0.157 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -11.278 2.087 -1.010 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -12.262 0.812 -0.284 1.00 0.00 H new ATOM 678 N LEU A 44 -5.908 4.063 2.250 1.00 0.00 N ATOM 679 CA LEU A 44 -5.044 4.651 3.279 1.00 0.00 C ATOM 680 C LEU A 44 -5.857 5.065 4.501 1.00 0.00 C ATOM 681 O LEU A 44 -7.065 4.870 4.540 1.00 0.00 O ATOM 682 CB LEU A 44 -4.287 5.862 2.717 1.00 0.00 C ATOM 683 CG LEU A 44 -2.877 5.433 2.288 1.00 0.00 C ATOM 684 CD1 LEU A 44 -2.260 6.506 1.386 1.00 0.00 C ATOM 685 CD2 LEU A 44 -1.995 5.251 3.529 1.00 0.00 C ATOM 0 H LEU A 44 -6.251 4.720 1.549 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.322 3.894 3.585 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.826 6.278 1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.226 6.647 3.470 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.942 4.492 1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.259 6.196 1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.881 6.638 0.500 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.200 7.448 1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.994 4.946 3.223 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.936 6.193 4.075 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.426 4.484 4.173 1.00 0.00 H new ATOM 697 N HIS A 45 -5.182 5.627 5.498 1.00 0.00 N ATOM 698 CA HIS A 45 -5.853 6.067 6.720 1.00 0.00 C ATOM 699 C HIS A 45 -4.953 7.034 7.488 1.00 0.00 C ATOM 700 O HIS A 45 -4.519 6.744 8.605 1.00 0.00 O ATOM 701 CB HIS A 45 -6.206 4.857 7.600 1.00 0.00 C ATOM 702 CG HIS A 45 -7.678 4.555 7.492 1.00 0.00 C ATOM 703 ND1 HIS A 45 -8.386 3.723 6.659 1.00 0.00 N flip ATOM 704 CD2 HIS A 45 -8.615 5.137 8.330 1.00 0.00 C flip ATOM 705 CE1 HIS A 45 -9.740 3.785 6.976 1.00 0.00 C flip ATOM 706 NE2 HIS A 45 -9.823 4.650 7.988 1.00 0.00 N flip ATOM 0 H HIS A 45 -4.175 5.789 5.486 1.00 0.00 H new ATOM 0 HA HIS A 45 -6.776 6.580 6.450 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.624 3.989 7.290 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.943 5.062 8.638 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -8.413 5.851 9.115 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -10.549 3.248 6.504 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -10.696 4.911 8.447 1.00 0.00 H new ATOM 714 N GLY A 46 -4.671 8.182 6.871 1.00 0.00 N ATOM 715 CA GLY A 46 -3.815 9.194 7.488 1.00 0.00 C ATOM 716 C GLY A 46 -4.317 9.580 8.878 1.00 0.00 C ATOM 717 O GLY A 46 -3.925 8.978 9.880 1.00 0.00 O ATOM 0 H GLY A 46 -5.022 8.433 5.947 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.796 8.815 7.561 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.781 10.080 6.853 1.00 0.00 H new ATOM 721 N ALA A 47 -5.183 10.591 8.928 1.00 0.00 N ATOM 722 CA ALA A 47 -5.735 11.059 10.197 1.00 0.00 C ATOM 723 C ALA A 47 -7.051 11.800 9.965 1.00 0.00 C ATOM 724 O ALA A 47 -7.326 12.816 10.606 1.00 0.00 O ATOM 725 CB ALA A 47 -4.733 11.986 10.891 1.00 0.00 C ATOM 0 H ALA A 47 -5.516 11.099 8.109 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.927 10.195 10.833 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.151 12.331 11.837 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.807 11.444 11.080 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.527 12.844 10.251 1.00 0.00 H new ATOM 731 N CYS A 48 -7.858 11.282 9.041 1.00 0.00 N ATOM 732 CA CYS A 48 -9.146 11.892 8.718 1.00 0.00 C ATOM 733 C CYS A 48 -8.961 13.347 8.283 1.00 0.00 C ATOM 734 O CYS A 48 -9.457 14.272 8.929 1.00 0.00 O ATOM 735 CB CYS A 48 -10.085 11.821 9.930 1.00 0.00 C ATOM 736 SG CYS A 48 -10.635 10.114 10.164 1.00 0.00 S ATOM 0 H CYS A 48 -7.643 10.442 8.503 1.00 0.00 H new ATOM 0 HA CYS A 48 -9.590 11.337 7.892 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -9.571 12.175 10.824 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -10.944 12.474 9.777 1.00 0.00 H new ATOM 0 HG CYS A 48 -11.429 10.051 11.192 1.00 0.00 H new ATOM 742 N GLY A 49 -8.241 13.537 7.177 1.00 0.00 N ATOM 743 CA GLY A 49 -7.990 14.878 6.651 1.00 0.00 C ATOM 744 C GLY A 49 -9.275 15.509 6.118 1.00 0.00 C ATOM 745 O GLY A 49 -10.356 14.928 6.230 1.00 0.00 O ATOM 0 H GLY A 49 -7.824 12.783 6.631 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.571 15.507 7.436 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.249 14.826 5.854 1.00 0.00 H new ATOM 749 N THR A 50 -9.146 16.701 5.536 1.00 0.00 N ATOM 750 CA THR A 50 -10.301 17.408 4.986 1.00 0.00 C ATOM 751 C THR A 50 -10.165 17.565 3.474 1.00 0.00 C ATOM 752 O THR A 50 -11.146 17.451 2.738 1.00 0.00 O ATOM 753 CB THR A 50 -10.431 18.788 5.639 1.00 0.00 C ATOM 754 OG1 THR A 50 -9.304 19.582 5.292 1.00 0.00 O ATOM 755 CG2 THR A 50 -10.503 18.636 7.161 1.00 0.00 C ATOM 0 H THR A 50 -8.259 17.194 5.434 1.00 0.00 H new ATOM 0 HA THR A 50 -11.196 16.823 5.198 1.00 0.00 H new ATOM 0 HB THR A 50 -11.341 19.272 5.284 1.00 0.00 H new ATOM 0 HG1 THR A 50 -9.386 20.466 5.707 1.00 0.00 H new ATOM 0 HG21 THR A 50 -10.595 19.620 7.621 1.00 0.00 H new ATOM 0 HG22 THR A 50 -11.369 18.029 7.425 1.00 0.00 H new ATOM 0 HG23 THR A 50 -9.596 18.151 7.521 1.00 0.00 H new ATOM 763 N CYS A 51 -8.941 17.828 3.020 1.00 0.00 N ATOM 764 CA CYS A 51 -8.671 18.001 1.596 1.00 0.00 C ATOM 765 C CYS A 51 -7.509 17.104 1.167 1.00 0.00 C ATOM 766 O CYS A 51 -6.349 17.515 1.215 1.00 0.00 O ATOM 767 CB CYS A 51 -8.332 19.468 1.308 1.00 0.00 C ATOM 768 SG CYS A 51 -7.149 20.068 2.540 1.00 0.00 S ATOM 0 H CYS A 51 -8.121 17.926 3.619 1.00 0.00 H new ATOM 0 HA CYS A 51 -9.559 17.720 1.030 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -7.912 19.565 0.307 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -9.238 20.073 1.333 1.00 0.00 H new ATOM 0 HG CYS A 51 -6.146 19.244 2.616 1.00 0.00 H new ATOM 774 N PRO A 52 -7.796 15.889 0.761 1.00 0.00 N ATOM 775 CA PRO A 52 -6.754 14.920 0.328 1.00 0.00 C ATOM 776 C PRO A 52 -6.156 15.252 -1.032 1.00 0.00 C ATOM 777 O PRO A 52 -5.678 14.364 -1.738 1.00 0.00 O ATOM 778 CB PRO A 52 -7.462 13.567 0.280 1.00 0.00 C ATOM 779 CG PRO A 52 -8.885 13.799 0.695 1.00 0.00 C ATOM 780 CD PRO A 52 -9.137 15.308 0.674 1.00 0.00 C ATOM 0 HA PRO A 52 -5.912 14.937 1.020 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -7.417 13.144 -0.724 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.977 12.855 0.948 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -9.569 13.288 0.017 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.063 13.396 1.692 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.647 15.615 -0.239 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.763 15.620 1.510 1.00 0.00 H new ATOM 788 N SER A 53 -6.144 16.530 -1.388 1.00 0.00 N ATOM 789 CA SER A 53 -5.547 16.930 -2.650 1.00 0.00 C ATOM 790 C SER A 53 -4.067 16.583 -2.592 1.00 0.00 C ATOM 791 O SER A 53 -3.351 16.645 -3.592 1.00 0.00 O ATOM 792 CB SER A 53 -5.729 18.432 -2.878 1.00 0.00 C ATOM 793 OG SER A 53 -5.708 19.106 -1.624 1.00 0.00 O ATOM 0 H SER A 53 -6.533 17.292 -0.832 1.00 0.00 H new ATOM 0 HA SER A 53 -6.030 16.409 -3.477 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.935 18.812 -3.521 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.673 18.622 -3.390 1.00 0.00 H new ATOM 0 HG SER A 53 -5.823 20.069 -1.768 1.00 0.00 H new ATOM 799 N SER A 54 -3.631 16.213 -1.386 1.00 0.00 N ATOM 800 CA SER A 54 -2.250 15.847 -1.144 1.00 0.00 C ATOM 801 C SER A 54 -2.030 14.348 -1.339 1.00 0.00 C ATOM 802 O SER A 54 -0.943 13.937 -1.747 1.00 0.00 O ATOM 803 CB SER A 54 -1.855 16.235 0.281 1.00 0.00 C ATOM 804 OG SER A 54 -2.267 17.570 0.536 1.00 0.00 O ATOM 0 H SER A 54 -4.227 16.162 -0.560 1.00 0.00 H new ATOM 0 HA SER A 54 -1.629 16.382 -1.863 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.319 15.556 0.997 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.776 16.145 0.409 1.00 0.00 H new ATOM 0 HG SER A 54 -2.715 17.613 1.407 1.00 0.00 H new ATOM 810 N THR A 55 -3.048 13.524 -1.044 1.00 0.00 N ATOM 811 CA THR A 55 -2.889 12.078 -1.207 1.00 0.00 C ATOM 812 C THR A 55 -2.342 11.763 -2.592 1.00 0.00 C ATOM 813 O THR A 55 -1.460 10.925 -2.743 1.00 0.00 O ATOM 814 CB THR A 55 -4.223 11.341 -1.010 1.00 0.00 C ATOM 815 OG1 THR A 55 -5.199 12.240 -0.515 1.00 0.00 O ATOM 816 CG2 THR A 55 -4.034 10.192 -0.015 1.00 0.00 C ATOM 0 H THR A 55 -3.961 13.825 -0.702 1.00 0.00 H new ATOM 0 HA THR A 55 -2.188 11.736 -0.446 1.00 0.00 H new ATOM 0 HB THR A 55 -4.555 10.941 -1.968 1.00 0.00 H new ATOM 0 HG1 THR A 55 -4.905 12.599 0.348 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.981 9.671 0.123 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.289 9.496 -0.401 1.00 0.00 H new ATOM 0 HG23 THR A 55 -3.696 10.591 0.942 1.00 0.00 H new ATOM 824 N ILE A 56 -2.876 12.448 -3.598 1.00 0.00 N ATOM 825 CA ILE A 56 -2.442 12.238 -4.977 1.00 0.00 C ATOM 826 C ILE A 56 -0.933 12.446 -5.111 1.00 0.00 C ATOM 827 O ILE A 56 -0.229 11.604 -5.665 1.00 0.00 O ATOM 828 CB ILE A 56 -3.173 13.206 -5.921 1.00 0.00 C ATOM 829 CG1 ILE A 56 -4.592 13.498 -5.403 1.00 0.00 C ATOM 830 CG2 ILE A 56 -3.260 12.589 -7.321 1.00 0.00 C ATOM 831 CD1 ILE A 56 -5.317 12.187 -5.075 1.00 0.00 C ATOM 0 H ILE A 56 -3.607 13.151 -3.487 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.684 11.211 -5.250 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.614 14.141 -5.962 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.540 14.126 -4.513 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -5.153 14.055 -6.153 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.779 13.276 -7.990 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.255 12.403 -7.700 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.809 11.648 -7.271 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.320 12.407 -4.709 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -5.385 11.574 -5.974 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.762 11.646 -4.308 1.00 0.00 H new ATOM 843 N THR A 57 -0.449 13.580 -4.606 1.00 0.00 N ATOM 844 CA THR A 57 0.975 13.899 -4.683 1.00 0.00 C ATOM 845 C THR A 57 1.804 12.916 -3.855 1.00 0.00 C ATOM 846 O THR A 57 2.736 12.293 -4.368 1.00 0.00 O ATOM 847 CB THR A 57 1.218 15.328 -4.180 1.00 0.00 C ATOM 848 OG1 THR A 57 0.215 16.188 -4.703 1.00 0.00 O ATOM 849 CG2 THR A 57 2.596 15.812 -4.640 1.00 0.00 C ATOM 0 H THR A 57 -1.018 14.288 -4.142 1.00 0.00 H new ATOM 0 HA THR A 57 1.285 13.819 -5.725 1.00 0.00 H new ATOM 0 HB THR A 57 1.179 15.339 -3.091 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.367 17.101 -4.382 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.764 16.827 -4.280 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.366 15.153 -4.239 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.641 15.801 -5.729 1.00 0.00 H new ATOM 857 N LEU A 58 1.465 12.786 -2.574 1.00 0.00 N ATOM 858 CA LEU A 58 2.193 11.884 -1.688 1.00 0.00 C ATOM 859 C LEU A 58 2.178 10.459 -2.237 1.00 0.00 C ATOM 860 O LEU A 58 3.232 9.839 -2.395 1.00 0.00 O ATOM 861 CB LEU A 58 1.578 11.911 -0.283 1.00 0.00 C ATOM 862 CG LEU A 58 2.679 11.691 0.765 1.00 0.00 C ATOM 863 CD1 LEU A 58 2.260 12.318 2.099 1.00 0.00 C ATOM 864 CD2 LEU A 58 2.913 10.187 0.956 1.00 0.00 C ATOM 0 H LEU A 58 0.697 13.290 -2.130 1.00 0.00 H new ATOM 0 HA LEU A 58 3.228 12.222 -1.630 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.083 12.866 -0.110 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.816 11.136 -0.193 1.00 0.00 H new ATOM 0 HG LEU A 58 3.600 12.162 0.421 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.045 12.159 2.838 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.100 13.388 1.964 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.336 11.854 2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.694 10.032 1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.991 9.715 1.295 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.220 9.743 0.009 1.00 0.00 H new ATOM 876 N LYS A 59 0.982 9.950 -2.531 1.00 0.00 N ATOM 877 CA LYS A 59 0.838 8.597 -3.072 1.00 0.00 C ATOM 878 C LYS A 59 1.796 8.381 -4.243 1.00 0.00 C ATOM 879 O LYS A 59 2.486 7.365 -4.314 1.00 0.00 O ATOM 880 CB LYS A 59 -0.599 8.370 -3.556 1.00 0.00 C ATOM 881 CG LYS A 59 -1.527 8.124 -2.362 1.00 0.00 C ATOM 882 CD LYS A 59 -2.992 8.315 -2.789 1.00 0.00 C ATOM 883 CE LYS A 59 -3.200 7.793 -4.217 1.00 0.00 C ATOM 884 NZ LYS A 59 -4.660 7.709 -4.507 1.00 0.00 N ATOM 0 H LYS A 59 0.102 10.450 -2.405 1.00 0.00 H new ATOM 0 HA LYS A 59 1.074 7.889 -2.277 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.942 9.238 -4.120 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.632 7.517 -4.233 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.380 7.115 -1.978 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.282 8.812 -1.553 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.651 7.786 -2.101 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.259 9.371 -2.737 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.714 8.456 -4.933 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.739 6.811 -4.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.845 8.072 -5.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.969 6.718 -4.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.185 8.278 -3.813 1.00 0.00 H new ATOM 898 N ALA A 60 1.820 9.349 -5.159 1.00 0.00 N ATOM 899 CA ALA A 60 2.683 9.265 -6.334 1.00 0.00 C ATOM 900 C ALA A 60 4.149 9.130 -5.933 1.00 0.00 C ATOM 901 O ALA A 60 4.926 8.462 -6.617 1.00 0.00 O ATOM 902 CB ALA A 60 2.504 10.514 -7.201 1.00 0.00 C ATOM 0 H ALA A 60 1.254 10.196 -5.110 1.00 0.00 H new ATOM 0 HA ALA A 60 2.397 8.378 -6.900 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.150 10.445 -8.076 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.465 10.588 -7.522 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.769 11.399 -6.623 1.00 0.00 H new ATOM 908 N GLY A 61 4.520 9.758 -4.819 1.00 0.00 N ATOM 909 CA GLY A 61 5.895 9.687 -4.338 1.00 0.00 C ATOM 910 C GLY A 61 6.247 8.251 -3.975 1.00 0.00 C ATOM 911 O GLY A 61 7.311 7.745 -4.337 1.00 0.00 O ATOM 0 H GLY A 61 3.894 10.316 -4.239 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.577 10.054 -5.105 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.018 10.331 -3.467 1.00 0.00 H new ATOM 915 N ILE A 62 5.330 7.600 -3.267 1.00 0.00 N ATOM 916 CA ILE A 62 5.523 6.213 -2.860 1.00 0.00 C ATOM 917 C ILE A 62 5.574 5.318 -4.095 1.00 0.00 C ATOM 918 O ILE A 62 6.577 4.652 -4.352 1.00 0.00 O ATOM 919 CB ILE A 62 4.379 5.760 -1.934 1.00 0.00 C ATOM 920 CG1 ILE A 62 3.800 6.973 -1.184 1.00 0.00 C ATOM 921 CG2 ILE A 62 4.915 4.739 -0.925 1.00 0.00 C ATOM 922 CD1 ILE A 62 2.836 6.503 -0.094 1.00 0.00 C ATOM 0 H ILE A 62 4.447 8.010 -2.963 1.00 0.00 H new ATOM 0 HA ILE A 62 6.464 6.134 -2.316 1.00 0.00 H new ATOM 0 HB ILE A 62 3.591 5.303 -2.533 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.607 7.556 -0.740 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.280 7.629 -1.883 1.00 0.00 H new ATOM 0 HG21 ILE A 62 4.106 4.417 -0.269 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.315 3.876 -1.458 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.705 5.196 -0.330 1.00 0.00 H new ATOM 0 HD11 ILE A 62 2.431 7.368 0.431 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.021 5.940 -0.548 1.00 0.00 H new ATOM 0 HD13 ILE A 62 3.368 5.866 0.612 1.00 0.00 H new ATOM 934 N GLU A 63 4.479 5.321 -4.856 1.00 0.00 N ATOM 935 CA GLU A 63 4.384 4.518 -6.075 1.00 0.00 C ATOM 936 C GLU A 63 5.670 4.617 -6.892 1.00 0.00 C ATOM 937 O GLU A 63 6.253 3.601 -7.273 1.00 0.00 O ATOM 938 CB GLU A 63 3.197 4.996 -6.921 1.00 0.00 C ATOM 939 CG GLU A 63 2.674 3.840 -7.780 1.00 0.00 C ATOM 940 CD GLU A 63 1.798 4.381 -8.905 1.00 0.00 C ATOM 941 OE1 GLU A 63 0.662 4.731 -8.629 1.00 0.00 O ATOM 942 OE2 GLU A 63 2.276 4.437 -10.026 1.00 0.00 O ATOM 0 H GLU A 63 3.645 5.871 -4.649 1.00 0.00 H new ATOM 0 HA GLU A 63 4.234 3.477 -5.790 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.403 5.368 -6.273 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.503 5.825 -7.558 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.510 3.279 -8.197 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.101 3.148 -7.163 1.00 0.00 H new ATOM 949 N ARG A 64 6.106 5.848 -7.155 1.00 0.00 N ATOM 950 CA ARG A 64 7.326 6.077 -7.926 1.00 0.00 C ATOM 951 C ARG A 64 8.500 5.313 -7.318 1.00 0.00 C ATOM 952 O ARG A 64 9.208 4.589 -8.019 1.00 0.00 O ATOM 953 CB ARG A 64 7.647 7.576 -7.957 1.00 0.00 C ATOM 954 CG ARG A 64 8.829 7.833 -8.896 1.00 0.00 C ATOM 955 CD ARG A 64 9.046 9.341 -9.042 1.00 0.00 C ATOM 956 NE ARG A 64 7.859 9.970 -9.613 1.00 0.00 N ATOM 957 CZ ARG A 64 7.601 11.258 -9.416 1.00 0.00 C ATOM 958 NH1 ARG A 64 8.345 12.168 -9.984 1.00 0.00 N ATOM 959 NH2 ARG A 64 6.601 11.614 -8.656 1.00 0.00 N ATOM 0 H ARG A 64 5.635 6.698 -6.847 1.00 0.00 H new ATOM 0 HA ARG A 64 7.165 5.717 -8.942 1.00 0.00 H new ATOM 0 HB2 ARG A 64 6.775 8.137 -8.293 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.885 7.927 -6.953 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.729 7.362 -8.502 1.00 0.00 H new ATOM 0 HG3 ARG A 64 8.636 7.386 -9.871 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.266 9.780 -8.069 1.00 0.00 H new ATOM 0 HD3 ARG A 64 9.909 9.531 -9.680 1.00 0.00 H new ATOM 0 HE ARG A 64 7.216 9.410 -10.173 1.00 0.00 H new ATOM 0 HH11 ARG A 64 9.125 11.890 -10.580 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.146 13.157 -9.832 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.018 10.903 -8.214 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.402 12.603 -8.504 1.00 0.00 H new ATOM 973 N ALA A 65 8.699 5.480 -6.012 1.00 0.00 N ATOM 974 CA ALA A 65 9.789 4.805 -5.314 1.00 0.00 C ATOM 975 C ALA A 65 9.669 3.288 -5.460 1.00 0.00 C ATOM 976 O ALA A 65 10.642 2.608 -5.792 1.00 0.00 O ATOM 977 CB ALA A 65 9.769 5.180 -3.829 1.00 0.00 C ATOM 0 H ALA A 65 8.121 6.075 -5.418 1.00 0.00 H new ATOM 0 HA ALA A 65 10.731 5.125 -5.759 1.00 0.00 H new ATOM 0 HB1 ALA A 65 10.585 4.673 -3.315 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.889 6.258 -3.724 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.819 4.876 -3.390 1.00 0.00 H new ATOM 983 N LEU A 66 8.473 2.767 -5.199 1.00 0.00 N ATOM 984 CA LEU A 66 8.230 1.329 -5.293 1.00 0.00 C ATOM 985 C LEU A 66 8.534 0.811 -6.697 1.00 0.00 C ATOM 986 O LEU A 66 9.312 -0.126 -6.861 1.00 0.00 O ATOM 987 CB LEU A 66 6.774 1.020 -4.931 1.00 0.00 C ATOM 988 CG LEU A 66 6.667 0.711 -3.433 1.00 0.00 C ATOM 989 CD1 LEU A 66 6.994 1.966 -2.618 1.00 0.00 C ATOM 990 CD2 LEU A 66 5.242 0.250 -3.108 1.00 0.00 C ATOM 0 H LEU A 66 7.659 3.316 -4.922 1.00 0.00 H new ATOM 0 HA LEU A 66 8.894 0.826 -4.590 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.139 1.869 -5.183 1.00 0.00 H new ATOM 0 HB3 LEU A 66 6.417 0.171 -5.514 1.00 0.00 H new ATOM 0 HG LEU A 66 7.375 -0.078 -3.178 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.916 1.740 -1.555 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.008 2.294 -2.846 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.291 2.759 -2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.165 0.030 -2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.536 1.039 -3.368 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.010 -0.647 -3.682 1.00 0.00 H new ATOM 1002 N HIS A 67 7.909 1.421 -7.701 1.00 0.00 N ATOM 1003 CA HIS A 67 8.112 1.012 -9.092 1.00 0.00 C ATOM 1004 C HIS A 67 9.597 0.985 -9.453 1.00 0.00 C ATOM 1005 O HIS A 67 10.066 0.052 -10.103 1.00 0.00 O ATOM 1006 CB HIS A 67 7.381 1.980 -10.028 1.00 0.00 C ATOM 1007 CG HIS A 67 5.902 1.704 -9.991 1.00 0.00 C ATOM 1008 ND1 HIS A 67 5.123 1.695 -11.139 1.00 0.00 N ATOM 1009 CD2 HIS A 67 5.043 1.429 -8.955 1.00 0.00 C ATOM 1010 CE1 HIS A 67 3.858 1.423 -10.769 1.00 0.00 C ATOM 1011 NE2 HIS A 67 3.753 1.253 -9.449 1.00 0.00 N ATOM 0 H HIS A 67 7.259 2.198 -7.580 1.00 0.00 H new ATOM 0 HA HIS A 67 7.711 0.005 -9.208 1.00 0.00 H new ATOM 0 HB2 HIS A 67 7.576 3.009 -9.727 1.00 0.00 H new ATOM 0 HB3 HIS A 67 7.756 1.869 -11.046 1.00 0.00 H new ATOM 0 HD2 HIS A 67 5.325 1.360 -7.915 1.00 0.00 H new ATOM 0 HE1 HIS A 67 3.028 1.351 -11.457 1.00 0.00 H new ATOM 0 HE2 HIS A 67 2.909 1.040 -8.917 1.00 0.00 H new ATOM 1019 N GLU A 68 10.329 2.017 -9.039 1.00 0.00 N ATOM 1020 CA GLU A 68 11.758 2.101 -9.339 1.00 0.00 C ATOM 1021 C GLU A 68 12.533 0.973 -8.658 1.00 0.00 C ATOM 1022 O GLU A 68 13.390 0.337 -9.274 1.00 0.00 O ATOM 1023 CB GLU A 68 12.308 3.456 -8.876 1.00 0.00 C ATOM 1024 CG GLU A 68 13.791 3.575 -9.252 1.00 0.00 C ATOM 1025 CD GLU A 68 13.979 3.361 -10.753 1.00 0.00 C ATOM 1026 OE1 GLU A 68 13.328 4.053 -11.519 1.00 0.00 O ATOM 1027 OE2 GLU A 68 14.773 2.507 -11.114 1.00 0.00 O ATOM 0 H GLU A 68 9.961 2.801 -8.500 1.00 0.00 H new ATOM 0 HA GLU A 68 11.884 2.001 -10.417 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.741 4.265 -9.337 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.188 3.557 -7.797 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.167 4.558 -8.969 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.373 2.839 -8.698 1.00 0.00 H new ATOM 1034 N GLU A 69 12.232 0.738 -7.385 1.00 0.00 N ATOM 1035 CA GLU A 69 12.909 -0.308 -6.622 1.00 0.00 C ATOM 1036 C GLU A 69 12.265 -1.672 -6.867 1.00 0.00 C ATOM 1037 O GLU A 69 12.798 -2.702 -6.454 1.00 0.00 O ATOM 1038 CB GLU A 69 12.852 0.020 -5.127 1.00 0.00 C ATOM 1039 CG GLU A 69 13.745 1.229 -4.828 1.00 0.00 C ATOM 1040 CD GLU A 69 15.190 0.778 -4.633 1.00 0.00 C ATOM 1041 OE1 GLU A 69 15.907 0.707 -5.618 1.00 0.00 O ATOM 1042 OE2 GLU A 69 15.560 0.510 -3.502 1.00 0.00 O ATOM 0 H GLU A 69 11.526 1.255 -6.860 1.00 0.00 H new ATOM 0 HA GLU A 69 13.947 -0.350 -6.952 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.825 0.232 -4.831 1.00 0.00 H new ATOM 0 HB3 GLU A 69 13.181 -0.840 -4.544 1.00 0.00 H new ATOM 0 HG2 GLU A 69 13.687 1.945 -5.647 1.00 0.00 H new ATOM 0 HG3 GLU A 69 13.391 1.740 -3.932 1.00 0.00 H new ATOM 1049 N VAL A 70 11.116 -1.664 -7.542 1.00 0.00 N ATOM 1050 CA VAL A 70 10.389 -2.897 -7.843 1.00 0.00 C ATOM 1051 C VAL A 70 9.548 -2.707 -9.106 1.00 0.00 C ATOM 1052 O VAL A 70 8.322 -2.605 -9.043 1.00 0.00 O ATOM 1053 CB VAL A 70 9.475 -3.278 -6.665 1.00 0.00 C ATOM 1054 CG1 VAL A 70 8.775 -4.610 -6.961 1.00 0.00 C ATOM 1055 CG2 VAL A 70 10.304 -3.420 -5.383 1.00 0.00 C ATOM 0 H VAL A 70 10.668 -0.817 -7.891 1.00 0.00 H new ATOM 0 HA VAL A 70 11.110 -3.699 -8.005 1.00 0.00 H new ATOM 0 HB VAL A 70 8.730 -2.494 -6.531 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.129 -4.875 -6.124 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.175 -4.513 -7.866 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.523 -5.390 -7.104 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.649 -3.690 -4.554 1.00 0.00 H new ATOM 0 HG22 VAL A 70 11.055 -4.198 -5.520 1.00 0.00 H new ATOM 0 HG23 VAL A 70 10.798 -2.474 -5.162 1.00 0.00 H new ATOM 1065 N PRO A 71 10.190 -2.654 -10.245 1.00 0.00 N ATOM 1066 CA PRO A 71 9.508 -2.471 -11.557 1.00 0.00 C ATOM 1067 C PRO A 71 8.843 -3.760 -12.047 1.00 0.00 C ATOM 1068 O PRO A 71 8.838 -4.053 -13.244 1.00 0.00 O ATOM 1069 CB PRO A 71 10.636 -2.028 -12.508 1.00 0.00 C ATOM 1070 CG PRO A 71 11.893 -1.970 -11.691 1.00 0.00 C ATOM 1071 CD PRO A 71 11.638 -2.761 -10.414 1.00 0.00 C ATOM 0 HA PRO A 71 8.698 -1.745 -11.496 1.00 0.00 H new ATOM 0 HB2 PRO A 71 10.744 -2.731 -13.334 1.00 0.00 H new ATOM 0 HB3 PRO A 71 10.413 -1.054 -12.945 1.00 0.00 H new ATOM 0 HG2 PRO A 71 12.731 -2.393 -12.245 1.00 0.00 H new ATOM 0 HG3 PRO A 71 12.153 -0.937 -11.458 1.00 0.00 H new ATOM 0 HD2 PRO A 71 11.957 -3.799 -10.511 1.00 0.00 H new ATOM 0 HD3 PRO A 71 12.176 -2.340 -9.564 1.00 0.00 H new ATOM 1079 N GLY A 72 8.280 -4.519 -11.109 1.00 0.00 N ATOM 1080 CA GLY A 72 7.606 -5.772 -11.442 1.00 0.00 C ATOM 1081 C GLY A 72 6.091 -5.595 -11.426 1.00 0.00 C ATOM 1082 O GLY A 72 5.358 -6.375 -12.036 1.00 0.00 O ATOM 0 H GLY A 72 8.277 -4.289 -10.115 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.926 -6.111 -12.427 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.894 -6.545 -10.729 1.00 0.00 H new ATOM 1086 N VAL A 73 5.628 -4.560 -10.725 1.00 0.00 N ATOM 1087 CA VAL A 73 4.200 -4.278 -10.630 1.00 0.00 C ATOM 1088 C VAL A 73 3.631 -3.928 -11.996 1.00 0.00 C ATOM 1089 O VAL A 73 4.366 -3.569 -12.917 1.00 0.00 O ATOM 1090 CB VAL A 73 3.960 -3.117 -9.654 1.00 0.00 C ATOM 1091 CG1 VAL A 73 4.771 -3.340 -8.374 1.00 0.00 C ATOM 1092 CG2 VAL A 73 4.394 -1.797 -10.301 1.00 0.00 C ATOM 0 H VAL A 73 6.222 -3.905 -10.216 1.00 0.00 H new ATOM 0 HA VAL A 73 3.695 -5.171 -10.261 1.00 0.00 H new ATOM 0 HB VAL A 73 2.898 -3.073 -9.411 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.597 -2.514 -7.685 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.462 -4.274 -7.906 1.00 0.00 H new ATOM 0 HG13 VAL A 73 5.832 -3.391 -8.620 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.222 -0.976 -9.605 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.454 -1.845 -10.550 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.815 -1.629 -11.209 1.00 0.00 H new ATOM 1102 N ILE A 74 2.313 -4.042 -12.116 1.00 0.00 N ATOM 1103 CA ILE A 74 1.642 -3.745 -13.371 1.00 0.00 C ATOM 1104 C ILE A 74 0.692 -2.572 -13.182 1.00 0.00 C ATOM 1105 O ILE A 74 0.609 -1.681 -14.028 1.00 0.00 O ATOM 1106 CB ILE A 74 0.866 -4.975 -13.852 1.00 0.00 C ATOM 1107 CG1 ILE A 74 1.495 -6.252 -13.270 1.00 0.00 C ATOM 1108 CG2 ILE A 74 0.921 -5.037 -15.377 1.00 0.00 C ATOM 1109 CD1 ILE A 74 0.698 -7.477 -13.730 1.00 0.00 C ATOM 0 H ILE A 74 1.693 -4.337 -11.362 1.00 0.00 H new ATOM 0 HA ILE A 74 2.388 -3.482 -14.121 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.169 -4.901 -13.519 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.532 -6.338 -13.594 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.505 -6.200 -12.181 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.370 -5.911 -15.726 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.473 -4.135 -15.794 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.959 -5.109 -15.701 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.147 -8.380 -13.316 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.332 -7.392 -13.384 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.711 -7.532 -14.819 1.00 0.00 H new ATOM 1121 N GLU A 75 -0.013 -2.579 -12.058 1.00 0.00 N ATOM 1122 CA GLU A 75 -0.953 -1.514 -11.740 1.00 0.00 C ATOM 1123 C GLU A 75 -1.324 -1.570 -10.261 1.00 0.00 C ATOM 1124 O GLU A 75 -1.208 -2.616 -9.622 1.00 0.00 O ATOM 1125 CB GLU A 75 -2.219 -1.650 -12.594 1.00 0.00 C ATOM 1126 CG GLU A 75 -2.311 -0.477 -13.576 1.00 0.00 C ATOM 1127 CD GLU A 75 -2.625 0.815 -12.826 1.00 0.00 C ATOM 1128 OE1 GLU A 75 -3.635 0.852 -12.142 1.00 0.00 O ATOM 1129 OE2 GLU A 75 -1.848 1.749 -12.944 1.00 0.00 O ATOM 0 H GLU A 75 0.049 -3.312 -11.351 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.480 -0.556 -11.957 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.201 -2.593 -13.140 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.101 -1.670 -11.953 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.371 -0.372 -14.118 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.086 -0.673 -14.317 1.00 0.00 H new ATOM 1136 N VAL A 76 -1.768 -0.439 -9.727 1.00 0.00 N ATOM 1137 CA VAL A 76 -2.155 -0.359 -8.322 1.00 0.00 C ATOM 1138 C VAL A 76 -3.251 0.689 -8.152 1.00 0.00 C ATOM 1139 O VAL A 76 -3.377 1.602 -8.971 1.00 0.00 O ATOM 1140 CB VAL A 76 -0.936 0.015 -7.465 1.00 0.00 C ATOM 1141 CG1 VAL A 76 -1.385 0.412 -6.056 1.00 0.00 C ATOM 1142 CG2 VAL A 76 0.010 -1.186 -7.371 1.00 0.00 C ATOM 0 H VAL A 76 -1.869 0.435 -10.244 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.532 -1.329 -7.997 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.422 0.857 -7.929 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.513 0.675 -5.457 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.056 1.269 -6.116 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.906 -0.425 -5.591 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.875 -0.921 -6.763 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.512 -2.026 -6.912 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.341 -1.467 -8.371 1.00 0.00 H new ATOM 1152 N GLU A 77 -4.039 0.555 -7.089 1.00 0.00 N ATOM 1153 CA GLU A 77 -5.121 1.498 -6.830 1.00 0.00 C ATOM 1154 C GLU A 77 -5.274 1.740 -5.333 1.00 0.00 C ATOM 1155 O GLU A 77 -6.176 1.201 -4.690 1.00 0.00 O ATOM 1156 CB GLU A 77 -6.435 0.961 -7.404 1.00 0.00 C ATOM 1157 CG GLU A 77 -6.296 0.755 -8.915 1.00 0.00 C ATOM 1158 CD GLU A 77 -7.646 0.375 -9.520 1.00 0.00 C ATOM 1159 OE1 GLU A 77 -8.586 1.138 -9.354 1.00 0.00 O ATOM 1160 OE2 GLU A 77 -7.720 -0.672 -10.142 1.00 0.00 O ATOM 0 H GLU A 77 -3.950 -0.191 -6.399 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.877 2.443 -7.314 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.695 0.019 -6.922 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.246 1.660 -7.196 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.924 1.667 -9.381 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.565 -0.028 -9.117 1.00 0.00 H new ATOM 1167 N GLN A 78 -4.384 2.568 -4.792 1.00 0.00 N ATOM 1168 CA GLN A 78 -4.414 2.904 -3.375 1.00 0.00 C ATOM 1169 C GLN A 78 -5.024 4.290 -3.197 1.00 0.00 C ATOM 1170 O GLN A 78 -4.340 5.302 -3.345 1.00 0.00 O ATOM 1171 CB GLN A 78 -2.990 2.878 -2.804 1.00 0.00 C ATOM 1172 CG GLN A 78 -3.041 3.002 -1.279 1.00 0.00 C ATOM 1173 CD GLN A 78 -3.343 4.439 -0.883 1.00 0.00 C ATOM 1174 OE1 GLN A 78 -2.573 5.343 -1.202 1.00 0.00 O ATOM 1175 NE2 GLN A 78 -4.428 4.704 -0.213 1.00 0.00 N ATOM 0 H GLN A 78 -3.633 3.018 -5.316 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.020 2.173 -2.840 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.492 1.950 -3.086 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -2.404 3.695 -3.225 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.806 2.337 -0.877 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.089 2.690 -0.849 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.063 3.950 0.049 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.643 5.666 0.050 1.00 0.00 H new ATOM 1184 N VAL A 79 -6.319 4.325 -2.905 1.00 0.00 N ATOM 1185 CA VAL A 79 -7.026 5.594 -2.735 1.00 0.00 C ATOM 1186 C VAL A 79 -7.442 5.816 -1.281 1.00 0.00 C ATOM 1187 O VAL A 79 -7.523 4.873 -0.496 1.00 0.00 O ATOM 1188 CB VAL A 79 -8.272 5.605 -3.630 1.00 0.00 C ATOM 1189 CG1 VAL A 79 -7.919 5.057 -5.017 1.00 0.00 C ATOM 1190 CG2 VAL A 79 -9.367 4.729 -3.004 1.00 0.00 C ATOM 0 H VAL A 79 -6.900 3.496 -2.781 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.349 6.400 -3.018 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.633 6.629 -3.724 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.807 5.067 -5.649 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.146 5.679 -5.468 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.553 4.035 -4.922 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -10.250 4.739 -3.642 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.003 3.706 -2.905 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -9.626 5.119 -2.020 1.00 0.00 H new ATOM 1200 N PHE A 80 -7.740 7.071 -0.945 1.00 0.00 N ATOM 1201 CA PHE A 80 -8.193 7.414 0.403 1.00 0.00 C ATOM 1202 C PHE A 80 -8.465 8.910 0.541 1.00 0.00 C ATOM 1203 O PHE A 80 -8.317 9.677 -0.413 1.00 0.00 O ATOM 1204 CB PHE A 80 -7.194 6.997 1.477 1.00 0.00 C ATOM 1205 CG PHE A 80 -7.973 6.771 2.756 1.00 0.00 C ATOM 1206 CD1 PHE A 80 -8.882 5.708 2.842 1.00 0.00 C ATOM 1207 CD2 PHE A 80 -7.814 7.641 3.841 1.00 0.00 C ATOM 1208 CE1 PHE A 80 -9.627 5.516 4.012 1.00 0.00 C ATOM 1209 CE2 PHE A 80 -8.555 7.446 5.012 1.00 0.00 C ATOM 1210 CZ PHE A 80 -9.461 6.384 5.098 1.00 0.00 C ATOM 0 H PHE A 80 -7.676 7.863 -1.584 1.00 0.00 H new ATOM 0 HA PHE A 80 -9.119 6.859 0.552 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.669 6.088 1.181 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -6.438 7.770 1.619 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -9.008 5.037 2.006 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -7.118 8.464 3.774 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -10.330 4.698 4.077 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -8.427 8.116 5.850 1.00 0.00 H new ATOM 0 HZ PHE A 80 -10.032 6.233 6.002 1.00 0.00 H new ATOM 1220 N LEU A 81 -8.870 9.303 1.746 1.00 0.00 N ATOM 1221 CA LEU A 81 -9.178 10.694 2.055 1.00 0.00 C ATOM 1222 C LEU A 81 -8.181 11.257 3.076 1.00 0.00 C ATOM 1223 O LEU A 81 -8.580 11.798 4.108 1.00 0.00 O ATOM 1224 CB LEU A 81 -10.598 10.771 2.633 1.00 0.00 C ATOM 1225 CG LEU A 81 -10.720 9.793 3.815 1.00 0.00 C ATOM 1226 CD1 LEU A 81 -11.587 10.411 4.913 1.00 0.00 C ATOM 1227 CD2 LEU A 81 -11.359 8.480 3.341 1.00 0.00 C ATOM 0 H LEU A 81 -8.993 8.666 2.533 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.108 11.285 1.142 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.814 11.787 2.963 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.330 10.523 1.864 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.725 9.590 4.210 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.670 9.714 5.747 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -11.130 11.338 5.259 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.580 10.622 4.517 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.443 7.792 4.182 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -12.351 8.683 2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.737 8.032 2.566 1.00 0.00 H new ATOM 1239 N GLU A 82 -6.883 11.120 2.793 1.00 0.00 N ATOM 1240 CA GLU A 82 -5.855 11.615 3.711 1.00 0.00 C ATOM 1241 C GLU A 82 -4.665 12.207 2.947 1.00 0.00 C ATOM 1242 O GLU A 82 -4.833 12.770 1.867 1.00 0.00 O ATOM 1243 CB GLU A 82 -5.384 10.475 4.628 1.00 0.00 C ATOM 1244 CG GLU A 82 -4.939 9.265 3.790 1.00 0.00 C ATOM 1245 CD GLU A 82 -3.415 9.190 3.720 1.00 0.00 C ATOM 1246 OE1 GLU A 82 -2.802 8.964 4.751 1.00 0.00 O ATOM 1247 OE2 GLU A 82 -2.884 9.349 2.638 1.00 0.00 O ATOM 0 H GLU A 82 -6.523 10.677 1.948 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.291 12.410 4.317 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.558 10.818 5.251 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.191 10.183 5.301 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.334 8.348 4.227 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.351 9.341 2.784 1.00 0.00 H new ATOM 1254 N HIS A 83 -3.466 12.084 3.521 1.00 0.00 N ATOM 1255 CA HIS A 83 -2.254 12.611 2.892 1.00 0.00 C ATOM 1256 C HIS A 83 -1.121 11.594 3.011 1.00 0.00 C ATOM 1257 O HIS A 83 -0.435 11.300 2.033 1.00 0.00 O ATOM 1258 CB HIS A 83 -1.820 13.926 3.561 1.00 0.00 C ATOM 1259 CG HIS A 83 -3.027 14.763 3.898 1.00 0.00 C ATOM 1260 ND1 HIS A 83 -3.292 15.966 3.261 1.00 0.00 N ATOM 1261 CD2 HIS A 83 -4.044 14.588 4.805 1.00 0.00 C ATOM 1262 CE1 HIS A 83 -4.427 16.460 3.786 1.00 0.00 C ATOM 1263 NE2 HIS A 83 -4.927 15.660 4.731 1.00 0.00 N ATOM 0 H HIS A 83 -3.309 11.625 4.418 1.00 0.00 H new ATOM 0 HA HIS A 83 -2.473 12.802 1.841 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -1.253 13.712 4.467 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -1.159 14.480 2.895 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -4.143 13.746 5.474 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -4.880 17.392 3.480 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -5.774 15.804 5.280 1.00 0.00 H new ATOM 1271 N HIS A 84 -0.945 11.069 4.228 1.00 0.00 N ATOM 1272 CA HIS A 84 0.095 10.079 4.519 1.00 0.00 C ATOM 1273 C HIS A 84 1.391 10.771 4.940 1.00 0.00 C ATOM 1274 O HIS A 84 1.371 11.917 5.392 1.00 0.00 O ATOM 1275 CB HIS A 84 0.350 9.172 3.306 1.00 0.00 C ATOM 1276 CG HIS A 84 0.921 7.859 3.766 1.00 0.00 C ATOM 1277 ND1 HIS A 84 2.017 7.276 3.149 1.00 0.00 N ATOM 1278 CD2 HIS A 84 0.564 7.004 4.780 1.00 0.00 C ATOM 1279 CE1 HIS A 84 2.278 6.124 3.790 1.00 0.00 C ATOM 1280 NE2 HIS A 84 1.422 5.909 4.792 1.00 0.00 N ATOM 0 H HIS A 84 -1.517 11.317 5.035 1.00 0.00 H new ATOM 0 HA HIS A 84 -0.256 9.457 5.343 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -0.580 9.005 2.763 1.00 0.00 H new ATOM 0 HB3 HIS A 84 1.040 9.657 2.615 1.00 0.00 H new ATOM 0 HD1 HIS A 84 2.532 7.653 2.353 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -0.258 7.158 5.464 1.00 0.00 H new ATOM 0 HE1 HIS A 84 3.083 5.453 3.527 1.00 0.00 H new ATOM 1288 N HIS A 85 2.513 10.064 4.801 1.00 0.00 N ATOM 1289 CA HIS A 85 3.810 10.613 5.182 1.00 0.00 C ATOM 1290 C HIS A 85 4.764 10.634 3.985 1.00 0.00 C ATOM 1291 O HIS A 85 4.742 11.567 3.184 1.00 0.00 O ATOM 1292 CB HIS A 85 4.403 9.777 6.324 1.00 0.00 C ATOM 1293 CG HIS A 85 5.849 10.142 6.541 1.00 0.00 C ATOM 1294 ND1 HIS A 85 6.297 11.453 6.495 1.00 0.00 N ATOM 1295 CD2 HIS A 85 6.958 9.376 6.804 1.00 0.00 C ATOM 1296 CE1 HIS A 85 7.622 11.437 6.726 1.00 0.00 C ATOM 1297 NE2 HIS A 85 8.076 10.196 6.920 1.00 0.00 N ATOM 0 H HIS A 85 2.548 9.115 4.429 1.00 0.00 H new ATOM 0 HA HIS A 85 3.673 11.640 5.520 1.00 0.00 H new ATOM 0 HB2 HIS A 85 3.837 9.946 7.240 1.00 0.00 H new ATOM 0 HB3 HIS A 85 4.320 8.716 6.089 1.00 0.00 H new ATOM 0 HD2 HIS A 85 6.962 8.301 6.905 1.00 0.00 H new ATOM 0 HE1 HIS A 85 8.243 12.320 6.751 1.00 0.00 H new ATOM 0 HE2 HIS A 85 9.036 9.911 7.112 1.00 0.00 H new ATOM 1305 N HIS A 86 5.603 9.601 3.875 1.00 0.00 N ATOM 1306 CA HIS A 86 6.567 9.507 2.780 1.00 0.00 C ATOM 1307 C HIS A 86 7.182 8.111 2.729 1.00 0.00 C ATOM 1308 O HIS A 86 6.735 7.198 3.426 1.00 0.00 O ATOM 1309 CB HIS A 86 7.683 10.545 2.969 1.00 0.00 C ATOM 1310 CG HIS A 86 7.266 11.863 2.372 1.00 0.00 C ATOM 1311 ND1 HIS A 86 6.741 11.963 1.092 1.00 0.00 N ATOM 1312 CD2 HIS A 86 7.288 13.142 2.869 1.00 0.00 C ATOM 1313 CE1 HIS A 86 6.471 13.262 0.866 1.00 0.00 C ATOM 1314 NE2 HIS A 86 6.785 14.023 1.917 1.00 0.00 N ATOM 0 H HIS A 86 5.633 8.820 4.530 1.00 0.00 H new ATOM 0 HA HIS A 86 6.043 9.702 1.844 1.00 0.00 H new ATOM 0 HB2 HIS A 86 7.900 10.669 4.030 1.00 0.00 H new ATOM 0 HB3 HIS A 86 8.600 10.196 2.495 1.00 0.00 H new ATOM 0 HD2 HIS A 86 7.642 13.422 3.850 1.00 0.00 H new ATOM 0 HE1 HIS A 86 6.051 13.642 -0.054 1.00 0.00 H new ATOM 0 HE2 HIS A 86 6.679 15.034 2.003 1.00 0.00 H new ATOM 1322 N HIS A 87 8.214 7.958 1.902 1.00 0.00 N ATOM 1323 CA HIS A 87 8.899 6.677 1.760 1.00 0.00 C ATOM 1324 C HIS A 87 9.969 6.517 2.843 1.00 0.00 C ATOM 1325 O HIS A 87 10.828 5.638 2.757 1.00 0.00 O ATOM 1326 CB HIS A 87 9.542 6.596 0.370 1.00 0.00 C ATOM 1327 CG HIS A 87 10.106 5.219 0.145 1.00 0.00 C ATOM 1328 ND1 HIS A 87 9.299 4.097 0.034 1.00 0.00 N ATOM 1329 CD2 HIS A 87 11.396 4.769 0.007 1.00 0.00 C ATOM 1330 CE1 HIS A 87 10.105 3.036 -0.162 1.00 0.00 C ATOM 1331 NE2 HIS A 87 11.392 3.391 -0.187 1.00 0.00 N ATOM 0 H HIS A 87 8.593 8.705 1.321 1.00 0.00 H new ATOM 0 HA HIS A 87 8.173 5.872 1.874 1.00 0.00 H new ATOM 0 HB2 HIS A 87 8.802 6.825 -0.396 1.00 0.00 H new ATOM 0 HB3 HIS A 87 10.333 7.341 0.282 1.00 0.00 H new ATOM 0 HD2 HIS A 87 12.279 5.390 0.043 1.00 0.00 H new ATOM 0 HE1 HIS A 87 9.753 2.022 -0.284 1.00 0.00 H new ATOM 0 HE2 HIS A 87 12.200 2.782 -0.320 1.00 0.00 H new ATOM 1339 N HIS A 88 9.908 7.376 3.864 1.00 0.00 N ATOM 1340 CA HIS A 88 10.874 7.332 4.964 1.00 0.00 C ATOM 1341 C HIS A 88 12.238 7.859 4.512 1.00 0.00 C ATOM 1342 O HIS A 88 12.428 8.014 3.316 1.00 0.00 O ATOM 1343 CB HIS A 88 11.019 5.897 5.489 1.00 0.00 C ATOM 1344 CG HIS A 88 11.385 5.922 6.949 1.00 0.00 C ATOM 1345 ND1 HIS A 88 12.659 6.252 7.386 1.00 0.00 N ATOM 1346 CD2 HIS A 88 10.657 5.659 8.084 1.00 0.00 C ATOM 1347 CE1 HIS A 88 12.659 6.179 8.729 1.00 0.00 C ATOM 1348 NE2 HIS A 88 11.464 5.822 9.206 1.00 0.00 N ATOM 1349 OXT HIS A 88 13.070 8.104 5.369 1.00 0.00 O ATOM 0 H HIS A 88 9.203 8.108 3.952 1.00 0.00 H new ATOM 0 HA HIS A 88 10.503 7.970 5.766 1.00 0.00 H new ATOM 0 HB2 HIS A 88 10.085 5.353 5.348 1.00 0.00 H new ATOM 0 HB3 HIS A 88 11.785 5.368 4.922 1.00 0.00 H new ATOM 0 HD1 HIS A 88 13.452 6.504 6.796 1.00 0.00 H new ATOM 0 HD2 HIS A 88 9.617 5.370 8.103 1.00 0.00 H new ATOM 0 HE1 HIS A 88 13.521 6.384 9.347 1.00 0.00 H new TER 1357 HIS A 88