USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 725 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -158:sc= -0.712 (180deg=-1.34!) USER MOD Single : A 1 MET N :NH3+ 166:sc= -0.0104 (180deg=-0.292) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 154:sc= -0.0457 (180deg=-0.4) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot -68:sc= 0.461 USER MOD Single : A 12 TYR OH : rot 165:sc= -0.1 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 65:sc= -1.91 USER MOD Single : A 22 MET CE :methyl -133:sc= -3.5! (180deg=-8.09!) USER MOD Single : A 23 THR OG1 : rot 63:sc= -3.57! USER MOD Single : A 24 THR OG1 : rot -80:sc= -1.31 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.0477 K(o=-0.048,f=-0.76) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.0199 K(o=-0.02,f=-1.6) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0313 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.394 X(o=-0.39,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -0.454 USER MOD Single : A 58 ASN : amide:sc= -0.593 K(o=-0.59,f=-3.6!) USER MOD Single : A 60 SER OG : rot 52:sc= 1.28 USER MOD Single : A 61 MET CE :methyl -168:sc=-0.00507 (180deg=-0.232) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN :FLIP amide:sc= -0.429 F(o=-2.4,f=-0.43) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc=-0.00422 K(o=-0.0042,f=-0.57) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 150:sc= -0.152 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 146:sc= -0.0184 (180deg=-0.817) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0412 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -32.946 0.475 5.366 1.00 0.00 N ATOM 2 CA MET A 1 -33.726 -0.353 4.410 1.00 0.00 C ATOM 3 C MET A 1 -33.706 -1.828 4.810 1.00 0.00 C ATOM 4 O MET A 1 -32.707 -2.518 4.608 1.00 0.00 O ATOM 5 CB MET A 1 -33.125 -0.178 3.013 1.00 0.00 C ATOM 6 CG MET A 1 -31.607 -0.278 2.983 1.00 0.00 C ATOM 7 SD MET A 1 -30.959 -0.499 1.316 1.00 0.00 S ATOM 8 CE MET A 1 -31.723 -2.053 0.857 1.00 0.00 C ATOM 0 H1 MET A 1 -32.776 1.414 4.953 1.00 0.00 H new ATOM 0 H2 MET A 1 -33.480 0.578 6.252 1.00 0.00 H new ATOM 0 H3 MET A 1 -32.035 0.013 5.562 1.00 0.00 H new ATOM 0 HA MET A 1 -34.765 -0.025 4.418 1.00 0.00 H new ATOM 0 HB2 MET A 1 -33.543 -0.935 2.350 1.00 0.00 H new ATOM 0 HB3 MET A 1 -33.424 0.793 2.617 1.00 0.00 H new ATOM 0 HG2 MET A 1 -31.179 0.625 3.418 1.00 0.00 H new ATOM 0 HG3 MET A 1 -31.289 -1.114 3.606 1.00 0.00 H new ATOM 0 HE1 MET A 1 -31.148 -2.518 0.056 1.00 0.00 H new ATOM 0 HE2 MET A 1 -31.745 -2.717 1.721 1.00 0.00 H new ATOM 0 HE3 MET A 1 -32.741 -1.870 0.514 1.00 0.00 H new ATOM 20 N PRO A 2 -34.812 -2.335 5.386 1.00 0.00 N ATOM 21 CA PRO A 2 -34.905 -3.735 5.809 1.00 0.00 C ATOM 22 C PRO A 2 -34.890 -4.698 4.627 1.00 0.00 C ATOM 23 O PRO A 2 -34.494 -5.856 4.761 1.00 0.00 O ATOM 24 CB PRO A 2 -36.251 -3.804 6.537 1.00 0.00 C ATOM 25 CG PRO A 2 -37.044 -2.674 5.980 1.00 0.00 C ATOM 26 CD PRO A 2 -36.052 -1.588 5.668 1.00 0.00 C ATOM 0 HA PRO A 2 -34.057 -4.028 6.428 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -36.747 -4.759 6.362 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -36.123 -3.704 7.615 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -37.583 -2.980 5.083 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -37.789 -2.329 6.697 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -36.365 -0.990 4.812 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -35.928 -0.903 6.507 1.00 0.00 H new ATOM 34 N SER A 3 -35.322 -4.212 3.468 1.00 0.00 N ATOM 35 CA SER A 3 -35.358 -5.029 2.261 1.00 0.00 C ATOM 36 C SER A 3 -33.960 -5.515 1.891 1.00 0.00 C ATOM 37 O SER A 3 -33.018 -4.725 1.813 1.00 0.00 O ATOM 38 CB SER A 3 -35.959 -4.235 1.100 1.00 0.00 C ATOM 39 OG SER A 3 -37.357 -4.438 1.011 1.00 0.00 O ATOM 0 H SER A 3 -35.652 -3.256 3.339 1.00 0.00 H new ATOM 0 HA SER A 3 -35.984 -5.899 2.460 1.00 0.00 H new ATOM 0 HB2 SER A 3 -35.751 -3.174 1.235 1.00 0.00 H new ATOM 0 HB3 SER A 3 -35.485 -4.536 0.166 1.00 0.00 H new ATOM 0 HG SER A 3 -37.716 -3.918 0.262 1.00 0.00 H new ATOM 45 N ASP A 4 -33.832 -6.817 1.664 1.00 0.00 N ATOM 46 CA ASP A 4 -32.550 -7.408 1.301 1.00 0.00 C ATOM 47 C ASP A 4 -32.725 -8.446 0.196 1.00 0.00 C ATOM 48 O ASP A 4 -32.179 -9.548 0.271 1.00 0.00 O ATOM 49 CB ASP A 4 -31.897 -8.051 2.527 1.00 0.00 C ATOM 50 CG ASP A 4 -31.202 -7.034 3.410 1.00 0.00 C ATOM 51 OD1 ASP A 4 -30.756 -5.995 2.882 1.00 0.00 O ATOM 52 OD2 ASP A 4 -31.104 -7.276 4.631 1.00 0.00 O ATOM 0 H ASP A 4 -34.601 -7.484 1.725 1.00 0.00 H new ATOM 0 HA ASP A 4 -31.902 -6.615 0.929 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -32.657 -8.574 3.108 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -31.175 -8.799 2.200 1.00 0.00 H new ATOM 57 N SER A 5 -33.492 -8.087 -0.827 1.00 0.00 N ATOM 58 CA SER A 5 -33.743 -8.987 -1.948 1.00 0.00 C ATOM 59 C SER A 5 -32.593 -8.945 -2.950 1.00 0.00 C ATOM 60 O SER A 5 -32.152 -9.982 -3.446 1.00 0.00 O ATOM 61 CB SER A 5 -35.053 -8.612 -2.644 1.00 0.00 C ATOM 62 OG SER A 5 -35.332 -9.497 -3.716 1.00 0.00 O ATOM 0 H SER A 5 -33.951 -7.179 -0.904 1.00 0.00 H new ATOM 0 HA SER A 5 -33.822 -10.001 -1.556 1.00 0.00 H new ATOM 0 HB2 SER A 5 -35.871 -8.638 -1.924 1.00 0.00 H new ATOM 0 HB3 SER A 5 -34.990 -7.590 -3.019 1.00 0.00 H new ATOM 0 HG SER A 5 -36.175 -9.237 -4.144 1.00 0.00 H new ATOM 68 N LYS A 6 -32.112 -7.742 -3.243 1.00 0.00 N ATOM 69 CA LYS A 6 -31.015 -7.567 -4.187 1.00 0.00 C ATOM 70 C LYS A 6 -29.699 -8.062 -3.592 1.00 0.00 C ATOM 71 O LYS A 6 -29.516 -8.059 -2.375 1.00 0.00 O ATOM 72 CB LYS A 6 -30.888 -6.096 -4.590 1.00 0.00 C ATOM 73 CG LYS A 6 -31.465 -5.788 -5.963 1.00 0.00 C ATOM 74 CD LYS A 6 -30.846 -6.668 -7.039 1.00 0.00 C ATOM 75 CE LYS A 6 -30.394 -5.849 -8.237 1.00 0.00 C ATOM 76 NZ LYS A 6 -29.332 -4.869 -7.873 1.00 0.00 N ATOM 0 H LYS A 6 -32.465 -6.874 -2.840 1.00 0.00 H new ATOM 0 HA LYS A 6 -31.236 -8.160 -5.075 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -31.393 -5.480 -3.846 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -29.835 -5.814 -4.576 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -32.545 -5.937 -5.947 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -31.291 -4.739 -6.205 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -29.995 -7.208 -6.624 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -31.571 -7.416 -7.361 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -30.021 -6.517 -9.013 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -31.249 -5.319 -8.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -28.754 -4.656 -8.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -29.772 -3.994 -7.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -28.728 -5.272 -7.129 1.00 0.00 H new ATOM 90 N LYS A 7 -28.789 -8.488 -4.461 1.00 0.00 N ATOM 91 CA LYS A 7 -27.491 -8.987 -4.026 1.00 0.00 C ATOM 92 C LYS A 7 -26.377 -8.020 -4.430 1.00 0.00 C ATOM 93 O LYS A 7 -26.387 -7.480 -5.535 1.00 0.00 O ATOM 94 CB LYS A 7 -27.226 -10.370 -4.634 1.00 0.00 C ATOM 95 CG LYS A 7 -26.943 -11.449 -3.603 1.00 0.00 C ATOM 96 CD LYS A 7 -26.429 -12.722 -4.256 1.00 0.00 C ATOM 97 CE LYS A 7 -24.981 -12.577 -4.699 1.00 0.00 C ATOM 98 NZ LYS A 7 -24.052 -13.344 -3.823 1.00 0.00 N ATOM 0 H LYS A 7 -28.927 -8.497 -5.472 1.00 0.00 H new ATOM 0 HA LYS A 7 -27.503 -9.070 -2.939 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -28.090 -10.667 -5.229 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -26.378 -10.301 -5.316 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -26.208 -11.084 -2.886 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -27.853 -11.667 -3.044 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -26.514 -13.552 -3.554 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -27.051 -12.967 -5.117 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -24.880 -12.924 -5.727 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -24.702 -11.523 -4.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -23.076 -13.219 -4.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -24.130 -12.996 -2.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -24.301 -14.353 -3.852 1.00 0.00 H new ATOM 112 N PRO A 8 -25.392 -7.792 -3.541 1.00 0.00 N ATOM 113 CA PRO A 8 -24.272 -6.890 -3.826 1.00 0.00 C ATOM 114 C PRO A 8 -23.428 -7.392 -4.990 1.00 0.00 C ATOM 115 O PRO A 8 -22.854 -6.605 -5.741 1.00 0.00 O ATOM 116 CB PRO A 8 -23.457 -6.896 -2.528 1.00 0.00 C ATOM 117 CG PRO A 8 -23.853 -8.149 -1.827 1.00 0.00 C ATOM 118 CD PRO A 8 -25.286 -8.397 -2.202 1.00 0.00 C ATOM 0 HA PRO A 8 -24.610 -5.895 -4.116 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -22.387 -6.881 -2.734 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -23.677 -6.018 -1.920 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -23.220 -8.983 -2.131 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -23.745 -8.043 -0.748 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -25.519 -9.462 -2.221 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -25.974 -7.933 -1.495 1.00 0.00 H new ATOM 126 N THR A 9 -23.361 -8.716 -5.130 1.00 0.00 N ATOM 127 CA THR A 9 -22.595 -9.349 -6.201 1.00 0.00 C ATOM 128 C THR A 9 -21.219 -8.709 -6.345 1.00 0.00 C ATOM 129 O THR A 9 -20.862 -8.203 -7.410 1.00 0.00 O ATOM 130 CB THR A 9 -23.364 -9.274 -7.523 1.00 0.00 C ATOM 131 OG1 THR A 9 -22.624 -9.880 -8.568 1.00 0.00 O ATOM 132 CG2 THR A 9 -23.691 -7.860 -7.954 1.00 0.00 C ATOM 0 H THR A 9 -23.832 -9.374 -4.509 1.00 0.00 H new ATOM 0 HA THR A 9 -22.451 -10.397 -5.940 1.00 0.00 H new ATOM 0 HB THR A 9 -24.299 -9.803 -7.339 1.00 0.00 H new ATOM 0 HG1 THR A 9 -21.828 -9.341 -8.760 1.00 0.00 H new ATOM 0 HG21 THR A 9 -24.236 -7.884 -8.898 1.00 0.00 H new ATOM 0 HG22 THR A 9 -24.306 -7.380 -7.192 1.00 0.00 H new ATOM 0 HG23 THR A 9 -22.767 -7.296 -8.083 1.00 0.00 H new ATOM 140 N ILE A 10 -20.454 -8.736 -5.261 1.00 0.00 N ATOM 141 CA ILE A 10 -19.118 -8.160 -5.251 1.00 0.00 C ATOM 142 C ILE A 10 -18.056 -9.254 -5.293 1.00 0.00 C ATOM 143 O ILE A 10 -17.675 -9.807 -4.261 1.00 0.00 O ATOM 144 CB ILE A 10 -18.909 -7.279 -4.000 1.00 0.00 C ATOM 145 CG1 ILE A 10 -19.779 -6.023 -4.088 1.00 0.00 C ATOM 146 CG2 ILE A 10 -17.442 -6.898 -3.833 1.00 0.00 C ATOM 147 CD1 ILE A 10 -19.358 -5.071 -5.186 1.00 0.00 C ATOM 0 H ILE A 10 -20.739 -9.153 -4.375 1.00 0.00 H new ATOM 0 HA ILE A 10 -19.019 -7.538 -6.140 1.00 0.00 H new ATOM 0 HB ILE A 10 -19.207 -7.856 -3.125 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -20.815 -6.319 -4.253 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -19.745 -5.500 -3.132 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -17.326 -6.278 -2.944 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -16.841 -7.801 -3.726 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -17.108 -6.342 -4.709 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -20.019 -4.204 -5.189 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -18.333 -4.745 -5.012 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -19.419 -5.577 -6.149 1.00 0.00 H new ATOM 159 N ILE A 11 -17.580 -9.556 -6.494 1.00 0.00 N ATOM 160 CA ILE A 11 -16.560 -10.574 -6.677 1.00 0.00 C ATOM 161 C ILE A 11 -15.586 -10.181 -7.781 1.00 0.00 C ATOM 162 O ILE A 11 -15.869 -10.356 -8.965 1.00 0.00 O ATOM 163 CB ILE A 11 -17.186 -11.938 -7.026 1.00 0.00 C ATOM 164 CG1 ILE A 11 -18.372 -12.232 -6.103 1.00 0.00 C ATOM 165 CG2 ILE A 11 -16.142 -13.041 -6.933 1.00 0.00 C ATOM 166 CD1 ILE A 11 -17.973 -12.501 -4.668 1.00 0.00 C ATOM 0 H ILE A 11 -17.887 -9.107 -7.357 1.00 0.00 H new ATOM 0 HA ILE A 11 -16.023 -10.658 -5.732 1.00 0.00 H new ATOM 0 HB ILE A 11 -17.552 -11.902 -8.052 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -19.059 -11.386 -6.128 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -18.915 -13.095 -6.488 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -16.600 -13.998 -7.182 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -15.331 -12.834 -7.631 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -15.746 -13.082 -5.918 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -18.865 -12.701 -4.074 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -17.310 -13.366 -4.631 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -17.456 -11.630 -4.265 1.00 0.00 H new ATOM 178 N TYR A 12 -14.435 -9.656 -7.381 1.00 0.00 N ATOM 179 CA TYR A 12 -13.408 -9.244 -8.333 1.00 0.00 C ATOM 180 C TYR A 12 -12.023 -9.644 -7.839 1.00 0.00 C ATOM 181 O TYR A 12 -11.356 -8.879 -7.146 1.00 0.00 O ATOM 182 CB TYR A 12 -13.461 -7.730 -8.568 1.00 0.00 C ATOM 183 CG TYR A 12 -13.940 -6.931 -7.374 1.00 0.00 C ATOM 184 CD1 TYR A 12 -13.091 -6.657 -6.309 1.00 0.00 C ATOM 185 CD2 TYR A 12 -15.242 -6.451 -7.315 1.00 0.00 C ATOM 186 CE1 TYR A 12 -13.526 -5.925 -5.219 1.00 0.00 C ATOM 187 CE2 TYR A 12 -15.685 -5.717 -6.230 1.00 0.00 C ATOM 188 CZ TYR A 12 -14.824 -5.458 -5.185 1.00 0.00 C ATOM 189 OH TYR A 12 -15.260 -4.729 -4.103 1.00 0.00 O ATOM 0 H TYR A 12 -14.188 -9.505 -6.403 1.00 0.00 H new ATOM 0 HA TYR A 12 -13.604 -9.752 -9.277 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -12.467 -7.382 -8.848 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -14.119 -7.528 -9.413 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -12.075 -7.022 -6.333 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -15.920 -6.655 -8.131 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -12.854 -5.720 -4.399 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -16.700 -5.349 -6.201 1.00 0.00 H new ATOM 0 HH TYR A 12 -16.099 -4.276 -4.330 1.00 0.00 H new ATOM 199 N PRO A 13 -11.568 -10.857 -8.193 1.00 0.00 N ATOM 200 CA PRO A 13 -10.264 -11.353 -7.785 1.00 0.00 C ATOM 201 C PRO A 13 -9.166 -10.959 -8.764 1.00 0.00 C ATOM 202 O PRO A 13 -8.615 -11.805 -9.472 1.00 0.00 O ATOM 203 CB PRO A 13 -10.480 -12.860 -7.781 1.00 0.00 C ATOM 204 CG PRO A 13 -11.443 -13.097 -8.898 1.00 0.00 C ATOM 205 CD PRO A 13 -12.291 -11.847 -9.014 1.00 0.00 C ATOM 0 HA PRO A 13 -9.934 -10.948 -6.828 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.545 -13.396 -7.941 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.884 -13.202 -6.828 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -10.914 -13.293 -9.830 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.065 -13.969 -8.695 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -12.381 -11.519 -10.050 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -13.302 -12.013 -8.643 1.00 0.00 H new ATOM 213 N CYS A 14 -8.857 -9.668 -8.803 1.00 0.00 N ATOM 214 CA CYS A 14 -7.829 -9.155 -9.701 1.00 0.00 C ATOM 215 C CYS A 14 -6.890 -8.203 -8.965 1.00 0.00 C ATOM 216 O CYS A 14 -6.957 -8.069 -7.744 1.00 0.00 O ATOM 217 CB CYS A 14 -8.477 -8.441 -10.889 1.00 0.00 C ATOM 218 SG CYS A 14 -9.355 -6.921 -10.453 1.00 0.00 S ATOM 0 H CYS A 14 -9.304 -8.957 -8.223 1.00 0.00 H new ATOM 0 HA CYS A 14 -7.243 -9.998 -10.068 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -7.705 -8.204 -11.621 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.175 -9.124 -11.372 1.00 0.00 H new ATOM 0 HG CYS A 14 -9.865 -6.392 -11.525 1.00 0.00 H new ATOM 224 N LEU A 15 -6.014 -7.546 -9.719 1.00 0.00 N ATOM 225 CA LEU A 15 -5.060 -6.607 -9.141 1.00 0.00 C ATOM 226 C LEU A 15 -5.547 -5.170 -9.301 1.00 0.00 C ATOM 227 O LEU A 15 -5.527 -4.616 -10.400 1.00 0.00 O ATOM 228 CB LEU A 15 -3.690 -6.771 -9.801 1.00 0.00 C ATOM 229 CG LEU A 15 -2.787 -7.828 -9.164 1.00 0.00 C ATOM 230 CD1 LEU A 15 -2.371 -7.402 -7.765 1.00 0.00 C ATOM 231 CD2 LEU A 15 -3.492 -9.175 -9.125 1.00 0.00 C ATOM 0 H LEU A 15 -5.945 -7.647 -10.732 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.971 -6.825 -8.077 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.837 -7.026 -10.850 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.174 -5.811 -9.775 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.889 -7.927 -9.773 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.729 -8.167 -7.328 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.827 -6.459 -7.818 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.258 -7.275 -7.145 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.836 -9.916 -8.669 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.407 -9.090 -8.538 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.740 -9.486 -10.140 1.00 0.00 H new ATOM 243 N TRP A 16 -5.984 -4.572 -8.198 1.00 0.00 N ATOM 244 CA TRP A 16 -6.477 -3.200 -8.215 1.00 0.00 C ATOM 245 C TRP A 16 -5.477 -2.253 -7.557 1.00 0.00 C ATOM 246 O TRP A 16 -4.750 -2.641 -6.641 1.00 0.00 O ATOM 247 CB TRP A 16 -7.826 -3.111 -7.501 1.00 0.00 C ATOM 248 CG TRP A 16 -8.429 -1.741 -7.538 1.00 0.00 C ATOM 249 CD1 TRP A 16 -8.864 -1.006 -6.472 1.00 0.00 C ATOM 250 CD2 TRP A 16 -8.664 -0.938 -8.702 1.00 0.00 C ATOM 251 NE1 TRP A 16 -9.355 0.203 -6.902 1.00 0.00 N ATOM 252 CE2 TRP A 16 -9.244 0.268 -8.267 1.00 0.00 C ATOM 253 CE3 TRP A 16 -8.441 -1.123 -10.069 1.00 0.00 C ATOM 254 CZ2 TRP A 16 -9.602 1.284 -9.149 1.00 0.00 C ATOM 255 CZ3 TRP A 16 -8.797 -0.114 -10.944 1.00 0.00 C ATOM 256 CH2 TRP A 16 -9.372 1.076 -10.480 1.00 0.00 C ATOM 0 H TRP A 16 -6.007 -5.016 -7.280 1.00 0.00 H new ATOM 0 HA TRP A 16 -6.604 -2.900 -9.255 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -8.518 -3.817 -7.959 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -7.700 -3.416 -6.462 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -8.827 -1.328 -5.442 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -9.740 0.934 -6.303 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -7.999 -2.038 -10.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -10.045 2.203 -8.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -8.629 -0.245 -12.003 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -9.639 1.845 -11.189 1.00 0.00 H new ATOM 267 N ASP A 17 -5.446 -1.012 -8.030 1.00 0.00 N ATOM 268 CA ASP A 17 -4.537 -0.010 -7.486 1.00 0.00 C ATOM 269 C ASP A 17 -5.270 0.931 -6.537 1.00 0.00 C ATOM 270 O ASP A 17 -6.497 1.017 -6.559 1.00 0.00 O ATOM 271 CB ASP A 17 -3.890 0.789 -8.619 1.00 0.00 C ATOM 272 CG ASP A 17 -2.819 0.000 -9.347 1.00 0.00 C ATOM 273 OD1 ASP A 17 -1.842 -0.421 -8.691 1.00 0.00 O ATOM 274 OD2 ASP A 17 -2.957 -0.197 -10.572 1.00 0.00 O ATOM 0 H ASP A 17 -6.039 -0.676 -8.788 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.758 -0.527 -6.925 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.658 1.094 -9.329 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.452 1.701 -8.213 1.00 0.00 H new ATOM 279 N TYR A 18 -4.511 1.638 -5.705 1.00 0.00 N ATOM 280 CA TYR A 18 -5.094 2.572 -4.751 1.00 0.00 C ATOM 281 C TYR A 18 -4.335 3.894 -4.754 1.00 0.00 C ATOM 282 O TYR A 18 -3.232 3.990 -4.216 1.00 0.00 O ATOM 283 CB TYR A 18 -5.087 1.969 -3.345 1.00 0.00 C ATOM 284 CG TYR A 18 -5.876 0.684 -3.232 1.00 0.00 C ATOM 285 CD1 TYR A 18 -7.243 0.705 -2.990 1.00 0.00 C ATOM 286 CD2 TYR A 18 -5.251 -0.551 -3.368 1.00 0.00 C ATOM 287 CE1 TYR A 18 -7.967 -0.467 -2.887 1.00 0.00 C ATOM 288 CE2 TYR A 18 -5.971 -1.727 -3.267 1.00 0.00 C ATOM 289 CZ TYR A 18 -7.327 -1.680 -3.027 1.00 0.00 C ATOM 290 OH TYR A 18 -8.046 -2.850 -2.924 1.00 0.00 O ATOM 0 H TYR A 18 -3.493 1.581 -5.673 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.124 2.764 -5.050 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.056 1.780 -3.045 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.494 2.698 -2.644 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -7.749 1.653 -2.880 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.188 -0.592 -3.555 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -9.030 -0.433 -2.698 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.472 -2.679 -3.376 1.00 0.00 H new ATOM 0 HH TYR A 18 -8.690 -2.904 -3.661 1.00 0.00 H new ATOM 300 N ARG A 19 -4.933 4.912 -5.365 1.00 0.00 N ATOM 301 CA ARG A 19 -4.313 6.229 -5.437 1.00 0.00 C ATOM 302 C ARG A 19 -4.514 6.991 -4.131 1.00 0.00 C ATOM 303 O ARG A 19 -5.579 7.559 -3.889 1.00 0.00 O ATOM 304 CB ARG A 19 -4.895 7.027 -6.605 1.00 0.00 C ATOM 305 CG ARG A 19 -4.066 8.242 -6.988 1.00 0.00 C ATOM 306 CD ARG A 19 -2.729 7.839 -7.589 1.00 0.00 C ATOM 307 NE ARG A 19 -1.859 8.991 -7.814 1.00 0.00 N ATOM 308 CZ ARG A 19 -1.975 9.817 -8.851 1.00 0.00 C ATOM 309 NH1 ARG A 19 -2.922 9.622 -9.761 1.00 0.00 N ATOM 310 NH2 ARG A 19 -1.142 10.841 -8.980 1.00 0.00 N ATOM 0 H ARG A 19 -5.845 4.850 -5.817 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.243 6.095 -5.599 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.986 6.372 -7.472 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.902 7.353 -6.345 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.619 8.850 -7.704 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.898 8.861 -6.107 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.231 7.133 -6.924 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.898 7.322 -8.534 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.119 9.173 -7.136 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.565 8.836 -9.667 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.006 10.258 -10.554 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.412 10.996 -8.284 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.231 11.474 -9.775 1.00 0.00 H new ATOM 324 N VAL A 20 -3.485 6.992 -3.289 1.00 0.00 N ATOM 325 CA VAL A 20 -3.549 7.677 -2.002 1.00 0.00 C ATOM 326 C VAL A 20 -2.522 8.800 -1.918 1.00 0.00 C ATOM 327 O VAL A 20 -1.330 8.584 -2.142 1.00 0.00 O ATOM 328 CB VAL A 20 -3.312 6.703 -0.836 1.00 0.00 C ATOM 329 CG1 VAL A 20 -3.606 7.378 0.494 1.00 0.00 C ATOM 330 CG2 VAL A 20 -4.157 5.449 -1.005 1.00 0.00 C ATOM 0 H VAL A 20 -2.597 6.526 -3.475 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.551 8.098 -1.923 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.263 6.409 -0.842 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.432 6.672 1.306 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.951 8.241 0.617 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.645 7.706 0.514 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.975 4.772 -0.170 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.212 5.722 -1.028 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.890 4.953 -1.938 1.00 0.00 H new ATOM 340 N ILE A 21 -2.990 10.001 -1.588 1.00 0.00 N ATOM 341 CA ILE A 21 -2.107 11.157 -1.467 1.00 0.00 C ATOM 342 C ILE A 21 -2.023 11.630 -0.021 1.00 0.00 C ATOM 343 O ILE A 21 -3.045 11.822 0.639 1.00 0.00 O ATOM 344 CB ILE A 21 -2.574 12.339 -2.344 1.00 0.00 C ATOM 345 CG1 ILE A 21 -3.197 11.851 -3.659 1.00 0.00 C ATOM 346 CG2 ILE A 21 -1.412 13.281 -2.619 1.00 0.00 C ATOM 347 CD1 ILE A 21 -2.393 10.786 -4.377 1.00 0.00 C ATOM 0 H ILE A 21 -3.973 10.199 -1.400 1.00 0.00 H new ATOM 0 HA ILE A 21 -1.126 10.830 -1.810 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.345 12.881 -1.796 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -4.193 11.459 -3.451 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.323 12.704 -4.325 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.754 14.110 -3.238 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.026 13.668 -1.676 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.621 12.741 -3.140 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.906 10.500 -5.295 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.405 11.178 -4.620 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.288 9.913 -3.733 1.00 0.00 H new ATOM 359 N MET A 22 -0.802 11.814 0.471 1.00 0.00 N ATOM 360 CA MET A 22 -0.591 12.265 1.837 1.00 0.00 C ATOM 361 C MET A 22 0.064 13.640 1.856 1.00 0.00 C ATOM 362 O MET A 22 0.908 13.949 1.015 1.00 0.00 O ATOM 363 CB MET A 22 0.277 11.264 2.604 1.00 0.00 C ATOM 364 CG MET A 22 0.155 9.830 2.111 1.00 0.00 C ATOM 365 SD MET A 22 0.530 8.621 3.395 1.00 0.00 S ATOM 366 CE MET A 22 -0.171 7.136 2.679 1.00 0.00 C ATOM 0 H MET A 22 0.055 11.657 -0.059 1.00 0.00 H new ATOM 0 HA MET A 22 -1.564 12.335 2.324 1.00 0.00 H new ATOM 0 HB2 MET A 22 1.320 11.574 2.532 1.00 0.00 H new ATOM 0 HB3 MET A 22 0.006 11.298 3.659 1.00 0.00 H new ATOM 0 HG2 MET A 22 -0.857 9.661 1.743 1.00 0.00 H new ATOM 0 HG3 MET A 22 0.830 9.681 1.268 1.00 0.00 H new ATOM 0 HE1 MET A 22 -0.769 6.618 3.429 1.00 0.00 H new ATOM 0 HE2 MET A 22 -0.803 7.404 1.832 1.00 0.00 H new ATOM 0 HE3 MET A 22 0.632 6.482 2.340 1.00 0.00 H new ATOM 376 N THR A 23 -0.331 14.461 2.820 1.00 0.00 N ATOM 377 CA THR A 23 0.217 15.806 2.949 1.00 0.00 C ATOM 378 C THR A 23 0.883 15.996 4.309 1.00 0.00 C ATOM 379 O THR A 23 0.387 16.731 5.163 1.00 0.00 O ATOM 380 CB THR A 23 -0.887 16.851 2.748 1.00 0.00 C ATOM 381 OG1 THR A 23 -1.658 17.004 3.926 1.00 0.00 O ATOM 382 CG2 THR A 23 -1.838 16.508 1.621 1.00 0.00 C ATOM 0 H THR A 23 -1.028 14.220 3.524 1.00 0.00 H new ATOM 0 HA THR A 23 0.975 15.940 2.177 1.00 0.00 H new ATOM 0 HB THR A 23 -0.365 17.774 2.496 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.086 17.333 4.651 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.594 17.288 1.533 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.283 16.434 0.686 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.323 15.555 1.832 1.00 0.00 H new ATOM 390 N THR A 24 2.014 15.326 4.503 1.00 0.00 N ATOM 391 CA THR A 24 2.750 15.421 5.760 1.00 0.00 C ATOM 392 C THR A 24 4.251 15.515 5.510 1.00 0.00 C ATOM 393 O THR A 24 4.763 14.974 4.530 1.00 0.00 O ATOM 394 CB THR A 24 2.444 14.214 6.648 1.00 0.00 C ATOM 395 OG1 THR A 24 1.099 13.803 6.491 1.00 0.00 O ATOM 396 CG2 THR A 24 2.674 14.481 8.120 1.00 0.00 C ATOM 0 H THR A 24 2.441 14.713 3.808 1.00 0.00 H new ATOM 0 HA THR A 24 2.429 16.330 6.269 1.00 0.00 H new ATOM 0 HB THR A 24 3.134 13.435 6.324 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.515 14.383 7.023 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.438 13.585 8.694 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.717 14.752 8.282 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.032 15.299 8.446 1.00 0.00 H new ATOM 404 N LYS A 25 4.951 16.207 6.403 1.00 0.00 N ATOM 405 CA LYS A 25 6.396 16.373 6.281 1.00 0.00 C ATOM 406 C LYS A 25 7.140 15.346 7.131 1.00 0.00 C ATOM 407 O LYS A 25 8.295 15.554 7.503 1.00 0.00 O ATOM 408 CB LYS A 25 6.803 17.787 6.695 1.00 0.00 C ATOM 409 CG LYS A 25 6.552 18.089 8.164 1.00 0.00 C ATOM 410 CD LYS A 25 6.444 19.583 8.417 1.00 0.00 C ATOM 411 CE LYS A 25 7.143 19.981 9.706 1.00 0.00 C ATOM 412 NZ LYS A 25 6.202 20.009 10.861 1.00 0.00 N ATOM 0 H LYS A 25 4.542 16.662 7.219 1.00 0.00 H new ATOM 0 HA LYS A 25 6.667 16.214 5.237 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.862 17.929 6.480 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.255 18.506 6.086 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.634 17.598 8.485 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.362 17.675 8.765 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.883 20.127 7.581 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.394 19.870 8.468 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.951 19.279 9.913 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.598 20.964 9.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.717 20.285 11.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.445 20.697 10.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.787 19.065 10.994 1.00 0.00 H new ATOM 426 N ASP A 26 6.472 14.236 7.434 1.00 0.00 N ATOM 427 CA ASP A 26 7.072 13.176 8.235 1.00 0.00 C ATOM 428 C ASP A 26 6.731 11.809 7.652 1.00 0.00 C ATOM 429 O ASP A 26 6.429 10.866 8.383 1.00 0.00 O ATOM 430 CB ASP A 26 6.589 13.264 9.683 1.00 0.00 C ATOM 431 CG ASP A 26 7.457 14.175 10.530 1.00 0.00 C ATOM 432 OD1 ASP A 26 8.681 13.926 10.603 1.00 0.00 O ATOM 433 OD2 ASP A 26 6.918 15.134 11.117 1.00 0.00 O ATOM 0 H ASP A 26 5.515 14.048 7.136 1.00 0.00 H new ATOM 0 HA ASP A 26 8.154 13.303 8.218 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.562 13.628 9.699 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.580 12.266 10.121 1.00 0.00 H new ATOM 438 N THR A 27 6.779 11.714 6.328 1.00 0.00 N ATOM 439 CA THR A 27 6.473 10.467 5.636 1.00 0.00 C ATOM 440 C THR A 27 7.576 9.429 5.839 1.00 0.00 C ATOM 441 O THR A 27 7.417 8.266 5.465 1.00 0.00 O ATOM 442 CB THR A 27 6.274 10.729 4.142 1.00 0.00 C ATOM 443 OG1 THR A 27 7.475 11.195 3.550 1.00 0.00 O ATOM 444 CG2 THR A 27 5.193 11.750 3.852 1.00 0.00 C ATOM 0 H THR A 27 7.027 12.487 5.711 1.00 0.00 H new ATOM 0 HA THR A 27 5.552 10.068 6.061 1.00 0.00 H new ATOM 0 HB THR A 27 5.970 9.772 3.719 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.328 11.355 2.594 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.103 11.889 2.775 1.00 0.00 H new ATOM 0 HG22 THR A 27 4.243 11.397 4.253 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.454 12.699 4.320 1.00 0.00 H new ATOM 452 N SER A 28 8.694 9.847 6.433 1.00 0.00 N ATOM 453 CA SER A 28 9.813 8.942 6.680 1.00 0.00 C ATOM 454 C SER A 28 9.339 7.663 7.367 1.00 0.00 C ATOM 455 O SER A 28 9.883 6.583 7.136 1.00 0.00 O ATOM 456 CB SER A 28 10.877 9.630 7.537 1.00 0.00 C ATOM 457 OG SER A 28 12.009 8.797 7.715 1.00 0.00 O ATOM 0 H SER A 28 8.847 10.804 6.751 1.00 0.00 H new ATOM 0 HA SER A 28 10.249 8.676 5.717 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.180 10.564 7.064 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.455 9.887 8.509 1.00 0.00 H new ATOM 0 HG SER A 28 12.674 9.262 8.265 1.00 0.00 H new ATOM 463 N THR A 29 8.316 7.793 8.203 1.00 0.00 N ATOM 464 CA THR A 29 7.763 6.646 8.912 1.00 0.00 C ATOM 465 C THR A 29 6.899 5.810 7.975 1.00 0.00 C ATOM 466 O THR A 29 6.767 4.597 8.146 1.00 0.00 O ATOM 467 CB THR A 29 6.937 7.107 10.114 1.00 0.00 C ATOM 468 OG1 THR A 29 6.472 5.997 10.859 1.00 0.00 O ATOM 469 CG2 THR A 29 5.731 7.939 9.728 1.00 0.00 C ATOM 0 H THR A 29 7.854 8.679 8.406 1.00 0.00 H new ATOM 0 HA THR A 29 8.590 6.032 9.270 1.00 0.00 H new ATOM 0 HB THR A 29 7.611 7.726 10.707 1.00 0.00 H new ATOM 0 HG1 THR A 29 5.947 6.313 11.624 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.189 8.233 10.627 1.00 0.00 H new ATOM 0 HG22 THR A 29 6.060 8.831 9.194 1.00 0.00 H new ATOM 0 HG23 THR A 29 5.075 7.352 9.085 1.00 0.00 H new ATOM 477 N LEU A 30 6.314 6.470 6.979 1.00 0.00 N ATOM 478 CA LEU A 30 5.464 5.793 6.008 1.00 0.00 C ATOM 479 C LEU A 30 6.306 5.106 4.939 1.00 0.00 C ATOM 480 O LEU A 30 6.023 3.977 4.541 1.00 0.00 O ATOM 481 CB LEU A 30 4.507 6.792 5.358 1.00 0.00 C ATOM 482 CG LEU A 30 3.529 6.188 4.347 1.00 0.00 C ATOM 483 CD1 LEU A 30 2.173 5.948 4.992 1.00 0.00 C ATOM 484 CD2 LEU A 30 3.390 7.093 3.132 1.00 0.00 C ATOM 0 H LEU A 30 6.414 7.473 6.824 1.00 0.00 H new ATOM 0 HA LEU A 30 4.884 5.033 6.532 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.935 7.287 6.143 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.094 7.562 4.857 1.00 0.00 H new ATOM 0 HG LEU A 30 3.926 5.228 4.017 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.492 5.518 4.258 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.285 5.259 5.829 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.769 6.894 5.352 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.691 6.647 2.424 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.017 8.068 3.445 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.362 7.213 2.655 1.00 0.00 H new ATOM 496 N LYS A 31 7.348 5.792 4.480 1.00 0.00 N ATOM 497 CA LYS A 31 8.229 5.240 3.458 1.00 0.00 C ATOM 498 C LYS A 31 8.887 3.948 3.939 1.00 0.00 C ATOM 499 O LYS A 31 9.334 3.132 3.134 1.00 0.00 O ATOM 500 CB LYS A 31 9.300 6.263 3.067 1.00 0.00 C ATOM 501 CG LYS A 31 10.358 6.483 4.136 1.00 0.00 C ATOM 502 CD LYS A 31 11.505 7.336 3.619 1.00 0.00 C ATOM 503 CE LYS A 31 11.063 8.767 3.358 1.00 0.00 C ATOM 504 NZ LYS A 31 11.698 9.332 2.137 1.00 0.00 N ATOM 0 H LYS A 31 7.602 6.727 4.798 1.00 0.00 H new ATOM 0 HA LYS A 31 7.623 5.009 2.582 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.787 5.932 2.150 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.817 7.215 2.846 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.906 6.966 5.002 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.742 5.520 4.472 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.318 7.332 4.345 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.897 6.902 2.699 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.979 8.798 3.250 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.315 9.387 4.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.370 10.309 1.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.732 9.327 2.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.437 8.756 1.312 1.00 0.00 H new ATOM 518 N GLU A 32 8.948 3.770 5.258 1.00 0.00 N ATOM 519 CA GLU A 32 9.559 2.580 5.840 1.00 0.00 C ATOM 520 C GLU A 32 8.535 1.469 6.036 1.00 0.00 C ATOM 521 O GLU A 32 8.860 0.286 5.920 1.00 0.00 O ATOM 522 CB GLU A 32 10.219 2.922 7.176 1.00 0.00 C ATOM 523 CG GLU A 32 9.244 3.429 8.226 1.00 0.00 C ATOM 524 CD GLU A 32 9.813 3.367 9.630 1.00 0.00 C ATOM 525 OE1 GLU A 32 10.153 2.254 10.083 1.00 0.00 O ATOM 526 OE2 GLU A 32 9.914 4.430 10.277 1.00 0.00 O ATOM 0 H GLU A 32 8.582 4.434 5.941 1.00 0.00 H new ATOM 0 HA GLU A 32 10.319 2.223 5.145 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.724 2.035 7.559 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.986 3.678 7.009 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.970 4.458 7.995 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.329 2.838 8.182 1.00 0.00 H new ATOM 533 N LEU A 33 7.299 1.849 6.338 1.00 0.00 N ATOM 534 CA LEU A 33 6.235 0.875 6.555 1.00 0.00 C ATOM 535 C LEU A 33 5.645 0.396 5.230 1.00 0.00 C ATOM 536 O LEU A 33 5.065 -0.687 5.155 1.00 0.00 O ATOM 537 CB LEU A 33 5.137 1.471 7.446 1.00 0.00 C ATOM 538 CG LEU A 33 4.172 2.434 6.750 1.00 0.00 C ATOM 539 CD1 LEU A 33 3.075 1.668 6.027 1.00 0.00 C ATOM 540 CD2 LEU A 33 3.573 3.401 7.762 1.00 0.00 C ATOM 0 H LEU A 33 7.009 2.822 6.438 1.00 0.00 H new ATOM 0 HA LEU A 33 6.668 0.012 7.061 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.559 0.653 7.876 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.612 1.996 8.275 1.00 0.00 H new ATOM 0 HG LEU A 33 4.729 3.007 6.009 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.400 2.372 5.539 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.521 1.014 5.277 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.516 1.068 6.745 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.888 4.081 7.255 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.030 2.841 8.523 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.371 3.975 8.233 1.00 0.00 H new ATOM 552 N LEU A 34 5.796 1.206 4.187 1.00 0.00 N ATOM 553 CA LEU A 34 5.276 0.855 2.870 1.00 0.00 C ATOM 554 C LEU A 34 6.232 -0.084 2.139 1.00 0.00 C ATOM 555 O LEU A 34 5.811 -0.892 1.311 1.00 0.00 O ATOM 556 CB LEU A 34 5.047 2.118 2.035 1.00 0.00 C ATOM 557 CG LEU A 34 3.939 3.040 2.544 1.00 0.00 C ATOM 558 CD1 LEU A 34 3.882 4.314 1.716 1.00 0.00 C ATOM 559 CD2 LEU A 34 2.598 2.322 2.515 1.00 0.00 C ATOM 0 H LEU A 34 6.272 2.107 4.228 1.00 0.00 H new ATOM 0 HA LEU A 34 4.325 0.341 3.009 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.979 2.683 1.996 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.811 1.821 1.013 1.00 0.00 H new ATOM 0 HG LEU A 34 4.162 3.313 3.575 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.087 4.958 2.093 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.836 4.836 1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.682 4.062 0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.819 2.991 2.880 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.368 2.021 1.493 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.645 1.438 3.151 1.00 0.00 H new ATOM 571 N GLU A 35 7.519 0.028 2.453 1.00 0.00 N ATOM 572 CA GLU A 35 8.536 -0.810 1.825 1.00 0.00 C ATOM 573 C GLU A 35 8.758 -2.103 2.611 1.00 0.00 C ATOM 574 O GLU A 35 9.520 -2.972 2.184 1.00 0.00 O ATOM 575 CB GLU A 35 9.853 -0.042 1.705 1.00 0.00 C ATOM 576 CG GLU A 35 9.958 0.793 0.440 1.00 0.00 C ATOM 577 CD GLU A 35 10.211 -0.048 -0.795 1.00 0.00 C ATOM 578 OE1 GLU A 35 10.987 -1.022 -0.700 1.00 0.00 O ATOM 579 OE2 GLU A 35 9.636 0.267 -1.856 1.00 0.00 O ATOM 0 H GLU A 35 7.883 0.690 3.138 1.00 0.00 H new ATOM 0 HA GLU A 35 8.180 -1.075 0.830 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.963 0.611 2.571 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.681 -0.751 1.732 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.037 1.360 0.306 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.765 1.517 0.553 1.00 0.00 H new ATOM 586 N THR A 36 8.095 -2.227 3.760 1.00 0.00 N ATOM 587 CA THR A 36 8.229 -3.416 4.601 1.00 0.00 C ATOM 588 C THR A 36 8.108 -4.696 3.774 1.00 0.00 C ATOM 589 O THR A 36 8.752 -5.702 4.073 1.00 0.00 O ATOM 590 CB THR A 36 7.168 -3.406 5.702 1.00 0.00 C ATOM 591 OG1 THR A 36 7.363 -4.488 6.595 1.00 0.00 O ATOM 592 CG2 THR A 36 5.753 -3.497 5.174 1.00 0.00 C ATOM 0 H THR A 36 7.460 -1.519 4.130 1.00 0.00 H new ATOM 0 HA THR A 36 9.220 -3.396 5.055 1.00 0.00 H new ATOM 0 HB THR A 36 7.288 -2.448 6.208 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.676 -4.464 7.293 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.052 -3.485 6.008 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.553 -2.648 4.520 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.633 -4.424 4.613 1.00 0.00 H new ATOM 600 N TYR A 37 7.283 -4.648 2.735 1.00 0.00 N ATOM 601 CA TYR A 37 7.082 -5.801 1.863 1.00 0.00 C ATOM 602 C TYR A 37 6.556 -6.998 2.653 1.00 0.00 C ATOM 603 O TYR A 37 6.952 -8.138 2.409 1.00 0.00 O ATOM 604 CB TYR A 37 8.393 -6.169 1.164 1.00 0.00 C ATOM 605 CG TYR A 37 8.270 -6.265 -0.341 1.00 0.00 C ATOM 606 CD1 TYR A 37 7.959 -5.148 -1.104 1.00 0.00 C ATOM 607 CD2 TYR A 37 8.468 -7.473 -0.997 1.00 0.00 C ATOM 608 CE1 TYR A 37 7.847 -5.231 -2.478 1.00 0.00 C ATOM 609 CE2 TYR A 37 8.358 -7.564 -2.372 1.00 0.00 C ATOM 610 CZ TYR A 37 8.047 -6.439 -3.107 1.00 0.00 C ATOM 611 OH TYR A 37 7.938 -6.526 -4.476 1.00 0.00 O ATOM 0 H TYR A 37 6.742 -3.823 2.475 1.00 0.00 H new ATOM 0 HA TYR A 37 6.339 -5.534 1.111 1.00 0.00 H new ATOM 0 HB2 TYR A 37 9.149 -5.424 1.412 1.00 0.00 H new ATOM 0 HB3 TYR A 37 8.747 -7.124 1.553 1.00 0.00 H new ATOM 0 HD1 TYR A 37 7.802 -4.198 -0.615 1.00 0.00 H new ATOM 0 HD2 TYR A 37 8.712 -8.355 -0.424 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.604 -4.352 -3.056 1.00 0.00 H new ATOM 0 HE2 TYR A 37 8.515 -8.511 -2.868 1.00 0.00 H new ATOM 0 HH TYR A 37 8.110 -7.448 -4.760 1.00 0.00 H new ATOM 621 N GLN A 38 5.658 -6.730 3.597 1.00 0.00 N ATOM 622 CA GLN A 38 5.078 -7.786 4.417 1.00 0.00 C ATOM 623 C GLN A 38 4.324 -8.792 3.554 1.00 0.00 C ATOM 624 O GLN A 38 4.601 -9.992 3.593 1.00 0.00 O ATOM 625 CB GLN A 38 4.136 -7.188 5.465 1.00 0.00 C ATOM 626 CG GLN A 38 4.821 -6.854 6.779 1.00 0.00 C ATOM 627 CD GLN A 38 4.549 -7.886 7.856 1.00 0.00 C ATOM 628 OE1 GLN A 38 4.266 -9.048 7.562 1.00 0.00 O ATOM 629 NE2 GLN A 38 4.633 -7.467 9.113 1.00 0.00 N ATOM 0 H GLN A 38 5.318 -5.793 3.812 1.00 0.00 H new ATOM 0 HA GLN A 38 5.891 -8.306 4.924 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.684 -6.283 5.060 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.325 -7.891 5.656 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.896 -6.779 6.616 1.00 0.00 H new ATOM 0 HG3 GLN A 38 4.482 -5.877 7.123 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.870 -6.495 9.312 1.00 0.00 H new ATOM 0 HE22 GLN A 38 4.460 -8.117 9.880 1.00 0.00 H new ATOM 638 N ARG A 39 3.372 -8.294 2.772 1.00 0.00 N ATOM 639 CA ARG A 39 2.578 -9.146 1.894 1.00 0.00 C ATOM 640 C ARG A 39 2.899 -8.857 0.428 1.00 0.00 C ATOM 641 O ARG A 39 3.542 -7.856 0.112 1.00 0.00 O ATOM 642 CB ARG A 39 1.077 -8.947 2.153 1.00 0.00 C ATOM 643 CG ARG A 39 0.739 -7.673 2.914 1.00 0.00 C ATOM 644 CD ARG A 39 -0.747 -7.361 2.847 1.00 0.00 C ATOM 645 NE ARG A 39 -1.135 -6.341 3.819 1.00 0.00 N ATOM 646 CZ ARG A 39 -0.941 -5.037 3.645 1.00 0.00 C ATOM 647 NH1 ARG A 39 -0.365 -4.587 2.536 1.00 0.00 N ATOM 648 NH2 ARG A 39 -1.323 -4.179 4.579 1.00 0.00 N ATOM 0 H ARG A 39 3.131 -7.304 2.728 1.00 0.00 H new ATOM 0 HA ARG A 39 2.834 -10.183 2.111 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.553 -8.936 1.197 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.700 -9.803 2.713 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.043 -7.779 3.955 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.306 -6.839 2.500 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.001 -7.021 1.843 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.318 -8.272 3.029 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.582 -6.648 4.683 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.069 -5.243 1.813 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.219 -3.586 2.408 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.766 -4.518 5.433 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.174 -3.179 4.445 1.00 0.00 H new ATOM 662 N PRO A 40 2.457 -9.735 -0.490 1.00 0.00 N ATOM 663 CA PRO A 40 2.706 -9.565 -1.925 1.00 0.00 C ATOM 664 C PRO A 40 2.012 -8.331 -2.493 1.00 0.00 C ATOM 665 O PRO A 40 1.001 -8.439 -3.188 1.00 0.00 O ATOM 666 CB PRO A 40 2.128 -10.841 -2.547 1.00 0.00 C ATOM 667 CG PRO A 40 1.143 -11.344 -1.549 1.00 0.00 C ATOM 668 CD PRO A 40 1.687 -10.958 -0.203 1.00 0.00 C ATOM 0 HA PRO A 40 3.765 -9.418 -2.137 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.649 -10.632 -3.504 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.909 -11.577 -2.736 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.160 -10.903 -1.714 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.025 -12.425 -1.627 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.889 -10.772 0.516 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.318 -11.742 0.216 1.00 0.00 H new ATOM 676 N PHE A 41 2.564 -7.159 -2.197 1.00 0.00 N ATOM 677 CA PHE A 41 2.000 -5.905 -2.681 1.00 0.00 C ATOM 678 C PHE A 41 3.104 -4.949 -3.123 1.00 0.00 C ATOM 679 O PHE A 41 4.269 -5.122 -2.764 1.00 0.00 O ATOM 680 CB PHE A 41 1.138 -5.252 -1.594 1.00 0.00 C ATOM 681 CG PHE A 41 1.934 -4.625 -0.482 1.00 0.00 C ATOM 682 CD1 PHE A 41 2.281 -5.360 0.639 1.00 0.00 C ATOM 683 CD2 PHE A 41 2.331 -3.299 -0.559 1.00 0.00 C ATOM 684 CE1 PHE A 41 3.012 -4.787 1.662 1.00 0.00 C ATOM 685 CE2 PHE A 41 3.060 -2.721 0.461 1.00 0.00 C ATOM 686 CZ PHE A 41 3.401 -3.465 1.573 1.00 0.00 C ATOM 0 H PHE A 41 3.401 -7.052 -1.624 1.00 0.00 H new ATOM 0 HA PHE A 41 1.371 -6.126 -3.543 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.508 -4.489 -2.052 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.471 -6.004 -1.172 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.977 -6.393 0.715 1.00 0.00 H new ATOM 0 HD2 PHE A 41 2.067 -2.712 -1.426 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.279 -5.372 2.530 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.364 -1.687 0.389 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.971 -3.014 2.372 1.00 0.00 H new ATOM 696 N LYS A 42 2.729 -3.940 -3.899 1.00 0.00 N ATOM 697 CA LYS A 42 3.685 -2.954 -4.388 1.00 0.00 C ATOM 698 C LYS A 42 3.083 -1.553 -4.352 1.00 0.00 C ATOM 699 O LYS A 42 1.867 -1.393 -4.258 1.00 0.00 O ATOM 700 CB LYS A 42 4.123 -3.299 -5.812 1.00 0.00 C ATOM 701 CG LYS A 42 2.962 -3.542 -6.762 1.00 0.00 C ATOM 702 CD LYS A 42 3.339 -4.518 -7.865 1.00 0.00 C ATOM 703 CE LYS A 42 2.727 -5.890 -7.628 1.00 0.00 C ATOM 704 NZ LYS A 42 3.074 -6.848 -8.714 1.00 0.00 N ATOM 0 H LYS A 42 1.768 -3.783 -4.204 1.00 0.00 H new ATOM 0 HA LYS A 42 4.557 -2.973 -3.735 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.737 -2.487 -6.202 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.752 -4.189 -5.785 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.110 -3.932 -6.205 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.648 -2.596 -7.203 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.003 -4.130 -8.826 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.424 -4.607 -7.919 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.075 -6.283 -6.673 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.643 -5.797 -7.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.638 -7.771 -8.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.720 -6.486 -9.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.107 -6.957 -8.764 1.00 0.00 H new ATOM 718 N LEU A 43 3.942 -0.542 -4.428 1.00 0.00 N ATOM 719 CA LEU A 43 3.491 0.842 -4.406 1.00 0.00 C ATOM 720 C LEU A 43 4.183 1.660 -5.488 1.00 0.00 C ATOM 721 O LEU A 43 5.409 1.658 -5.595 1.00 0.00 O ATOM 722 CB LEU A 43 3.754 1.467 -3.034 1.00 0.00 C ATOM 723 CG LEU A 43 2.584 1.385 -2.050 1.00 0.00 C ATOM 724 CD1 LEU A 43 2.844 0.320 -0.995 1.00 0.00 C ATOM 725 CD2 LEU A 43 2.338 2.738 -1.396 1.00 0.00 C ATOM 0 H LEU A 43 4.953 -0.656 -4.505 1.00 0.00 H new ATOM 0 HA LEU A 43 2.419 0.848 -4.602 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.619 0.976 -2.588 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.019 2.515 -3.174 1.00 0.00 H new ATOM 0 HG LEU A 43 1.689 1.105 -2.606 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.001 0.278 -0.305 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.966 -0.649 -1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.751 0.568 -0.444 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.503 2.659 -0.700 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.232 3.049 -0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.103 3.476 -2.163 1.00 0.00 H new ATOM 737 N GLU A 44 3.389 2.363 -6.288 1.00 0.00 N ATOM 738 CA GLU A 44 3.925 3.189 -7.361 1.00 0.00 C ATOM 739 C GLU A 44 4.041 4.641 -6.911 1.00 0.00 C ATOM 740 O GLU A 44 3.085 5.411 -7.008 1.00 0.00 O ATOM 741 CB GLU A 44 3.038 3.094 -8.604 1.00 0.00 C ATOM 742 CG GLU A 44 3.192 1.783 -9.360 1.00 0.00 C ATOM 743 CD GLU A 44 2.334 1.726 -10.609 1.00 0.00 C ATOM 744 OE1 GLU A 44 2.484 2.615 -11.472 1.00 0.00 O ATOM 745 OE2 GLU A 44 1.514 0.792 -10.721 1.00 0.00 O ATOM 0 H GLU A 44 2.372 2.377 -6.213 1.00 0.00 H new ATOM 0 HA GLU A 44 4.920 2.820 -7.611 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.996 3.213 -8.307 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.275 3.921 -9.274 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.238 1.647 -9.636 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.926 0.955 -8.703 1.00 0.00 H new ATOM 752 N PHE A 45 5.218 5.006 -6.415 1.00 0.00 N ATOM 753 CA PHE A 45 5.462 6.364 -5.943 1.00 0.00 C ATOM 754 C PHE A 45 5.254 7.373 -7.066 1.00 0.00 C ATOM 755 O PHE A 45 6.040 7.438 -8.012 1.00 0.00 O ATOM 756 CB PHE A 45 6.884 6.492 -5.384 1.00 0.00 C ATOM 757 CG PHE A 45 7.331 5.306 -4.574 1.00 0.00 C ATOM 758 CD1 PHE A 45 6.436 4.616 -3.771 1.00 0.00 C ATOM 759 CD2 PHE A 45 8.650 4.880 -4.618 1.00 0.00 C ATOM 760 CE1 PHE A 45 6.847 3.526 -3.028 1.00 0.00 C ATOM 761 CE2 PHE A 45 9.066 3.791 -3.876 1.00 0.00 C ATOM 762 CZ PHE A 45 8.164 3.114 -3.081 1.00 0.00 C ATOM 0 H PHE A 45 6.019 4.380 -6.329 1.00 0.00 H new ATOM 0 HA PHE A 45 4.749 6.576 -5.147 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.578 6.636 -6.212 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.940 7.386 -4.763 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.405 4.934 -3.726 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.360 5.405 -5.239 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.139 2.997 -2.407 1.00 0.00 H new ATOM 0 HE2 PHE A 45 10.096 3.470 -3.918 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.488 2.263 -2.501 1.00 0.00 H new ATOM 772 N LYS A 46 4.187 8.158 -6.956 1.00 0.00 N ATOM 773 CA LYS A 46 3.870 9.165 -7.961 1.00 0.00 C ATOM 774 C LYS A 46 4.705 10.424 -7.752 1.00 0.00 C ATOM 775 O LYS A 46 5.113 11.078 -8.713 1.00 0.00 O ATOM 776 CB LYS A 46 2.381 9.509 -7.914 1.00 0.00 C ATOM 777 CG LYS A 46 1.483 8.412 -8.465 1.00 0.00 C ATOM 778 CD LYS A 46 1.637 8.268 -9.971 1.00 0.00 C ATOM 779 CE LYS A 46 0.991 9.428 -10.710 1.00 0.00 C ATOM 780 NZ LYS A 46 1.207 9.338 -12.181 1.00 0.00 N ATOM 0 H LYS A 46 3.527 8.116 -6.180 1.00 0.00 H new ATOM 0 HA LYS A 46 4.109 8.754 -8.942 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.097 9.715 -6.882 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.211 10.425 -8.480 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.725 7.466 -7.982 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.444 8.636 -8.224 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.695 8.217 -10.226 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.185 7.331 -10.296 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.079 9.442 -10.500 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.401 10.368 -10.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.751 10.147 -12.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.227 9.350 -12.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.794 8.453 -12.539 1.00 0.00 H new ATOM 794 N ASN A 47 4.953 10.759 -6.490 1.00 0.00 N ATOM 795 CA ASN A 47 5.739 11.940 -6.154 1.00 0.00 C ATOM 796 C ASN A 47 7.220 11.593 -6.033 1.00 0.00 C ATOM 797 O ASN A 47 7.648 10.997 -5.045 1.00 0.00 O ATOM 798 CB ASN A 47 5.239 12.554 -4.845 1.00 0.00 C ATOM 799 CG ASN A 47 5.839 13.922 -4.584 1.00 0.00 C ATOM 800 OD1 ASN A 47 7.003 14.039 -4.197 1.00 0.00 O ATOM 801 ND2 ASN A 47 5.045 14.965 -4.789 1.00 0.00 N ATOM 0 H ASN A 47 4.621 10.230 -5.684 1.00 0.00 H new ATOM 0 HA ASN A 47 5.620 12.666 -6.958 1.00 0.00 H new ATOM 0 HB2 ASN A 47 4.153 12.636 -4.877 1.00 0.00 H new ATOM 0 HB3 ASN A 47 5.484 11.888 -4.017 1.00 0.00 H new ATOM 0 HD21 ASN A 47 5.392 15.910 -4.626 1.00 0.00 H new ATOM 0 HD22 ASN A 47 4.087 14.822 -5.110 1.00 0.00 H new ATOM 808 N THR A 48 7.995 11.970 -7.044 1.00 0.00 N ATOM 809 CA THR A 48 9.429 11.699 -7.050 1.00 0.00 C ATOM 810 C THR A 48 10.218 12.942 -6.656 1.00 0.00 C ATOM 811 O THR A 48 10.805 13.613 -7.504 1.00 0.00 O ATOM 812 CB THR A 48 9.871 11.215 -8.432 1.00 0.00 C ATOM 813 OG1 THR A 48 9.044 11.763 -9.444 1.00 0.00 O ATOM 814 CG2 THR A 48 9.836 9.709 -8.578 1.00 0.00 C ATOM 0 H THR A 48 7.655 12.464 -7.869 1.00 0.00 H new ATOM 0 HA THR A 48 9.630 10.917 -6.318 1.00 0.00 H new ATOM 0 HB THR A 48 10.902 11.551 -8.539 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.344 11.443 -10.320 1.00 0.00 H new ATOM 0 HG21 THR A 48 10.161 9.433 -9.581 1.00 0.00 H new ATOM 0 HG22 THR A 48 10.502 9.257 -7.843 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.819 9.351 -8.415 1.00 0.00 H new ATOM 822 N SER A 49 10.227 13.246 -5.361 1.00 0.00 N ATOM 823 CA SER A 49 10.944 14.409 -4.853 1.00 0.00 C ATOM 824 C SER A 49 10.420 15.692 -5.489 1.00 0.00 C ATOM 825 O SER A 49 11.165 16.655 -5.674 1.00 0.00 O ATOM 826 CB SER A 49 12.444 14.269 -5.123 1.00 0.00 C ATOM 827 OG SER A 49 13.207 14.769 -4.040 1.00 0.00 O ATOM 0 H SER A 49 9.745 12.702 -4.645 1.00 0.00 H new ATOM 0 HA SER A 49 10.779 14.464 -3.777 1.00 0.00 H new ATOM 0 HB2 SER A 49 12.690 13.220 -5.291 1.00 0.00 H new ATOM 0 HB3 SER A 49 12.704 14.808 -6.034 1.00 0.00 H new ATOM 0 HG SER A 49 14.161 14.666 -4.237 1.00 0.00 H new ATOM 833 N LYS A 50 9.133 15.699 -5.822 1.00 0.00 N ATOM 834 CA LYS A 50 8.508 16.863 -6.437 1.00 0.00 C ATOM 835 C LYS A 50 8.319 17.982 -5.418 1.00 0.00 C ATOM 836 O LYS A 50 8.509 19.159 -5.730 1.00 0.00 O ATOM 837 CB LYS A 50 7.160 16.482 -7.050 1.00 0.00 C ATOM 838 CG LYS A 50 6.863 17.193 -8.360 1.00 0.00 C ATOM 839 CD LYS A 50 7.055 16.269 -9.553 1.00 0.00 C ATOM 840 CE LYS A 50 6.188 16.690 -10.728 1.00 0.00 C ATOM 841 NZ LYS A 50 6.845 17.736 -11.557 1.00 0.00 N ATOM 0 H LYS A 50 8.503 14.910 -5.676 1.00 0.00 H new ATOM 0 HA LYS A 50 9.168 17.223 -7.226 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.138 15.405 -7.218 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.369 16.709 -6.336 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.839 17.566 -8.349 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.516 18.060 -8.461 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.103 16.273 -9.853 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.809 15.247 -9.266 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.969 15.820 -11.348 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.234 17.066 -10.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.221 17.995 -12.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.031 18.576 -10.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.743 17.369 -11.931 1.00 0.00 H new ATOM 855 N ASN A 51 7.945 17.609 -4.199 1.00 0.00 N ATOM 856 CA ASN A 51 7.729 18.581 -3.134 1.00 0.00 C ATOM 857 C ASN A 51 6.639 19.577 -3.521 1.00 0.00 C ATOM 858 O ASN A 51 6.928 20.703 -3.924 1.00 0.00 O ATOM 859 CB ASN A 51 9.030 19.324 -2.824 1.00 0.00 C ATOM 860 CG ASN A 51 9.142 19.709 -1.362 1.00 0.00 C ATOM 861 OD1 ASN A 51 10.081 19.311 -0.673 1.00 0.00 O ATOM 862 ND2 ASN A 51 8.181 20.488 -0.880 1.00 0.00 N ATOM 0 H ASN A 51 7.785 16.640 -3.924 1.00 0.00 H new ATOM 0 HA ASN A 51 7.405 18.043 -2.243 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.878 18.696 -3.097 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.087 20.222 -3.439 1.00 0.00 H new ATOM 0 HD21 ASN A 51 8.203 20.780 0.097 1.00 0.00 H new ATOM 0 HD22 ASN A 51 7.421 20.795 -1.487 1.00 0.00 H new ATOM 869 N ALA A 52 5.386 19.153 -3.393 1.00 0.00 N ATOM 870 CA ALA A 52 4.253 20.008 -3.730 1.00 0.00 C ATOM 871 C ALA A 52 3.179 19.953 -2.650 1.00 0.00 C ATOM 872 O ALA A 52 1.996 20.148 -2.931 1.00 0.00 O ATOM 873 CB ALA A 52 3.671 19.605 -5.077 1.00 0.00 C ATOM 0 H ALA A 52 5.129 18.224 -3.059 1.00 0.00 H new ATOM 0 HA ALA A 52 4.613 21.035 -3.793 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.826 20.251 -5.316 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.435 19.706 -5.848 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.334 18.569 -5.033 1.00 0.00 H new ATOM 879 N LYS A 53 3.596 19.685 -1.412 1.00 0.00 N ATOM 880 CA LYS A 53 2.675 19.603 -0.277 1.00 0.00 C ATOM 881 C LYS A 53 1.962 18.253 -0.232 1.00 0.00 C ATOM 882 O LYS A 53 1.905 17.607 0.814 1.00 0.00 O ATOM 883 CB LYS A 53 1.645 20.738 -0.328 1.00 0.00 C ATOM 884 CG LYS A 53 1.422 21.416 1.013 1.00 0.00 C ATOM 885 CD LYS A 53 0.763 22.776 0.845 1.00 0.00 C ATOM 886 CE LYS A 53 1.785 23.901 0.892 1.00 0.00 C ATOM 887 NZ LYS A 53 1.146 25.222 1.141 1.00 0.00 N ATOM 0 H LYS A 53 4.573 19.520 -1.169 1.00 0.00 H new ATOM 0 HA LYS A 53 3.269 19.705 0.631 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.973 21.483 -1.053 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.696 20.340 -0.687 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.797 20.783 1.643 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.376 21.534 1.526 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.229 22.808 -0.105 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.023 22.922 1.632 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.514 23.697 1.676 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.332 23.934 -0.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.876 25.962 1.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.469 25.429 0.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.645 25.199 2.052 1.00 0.00 H new ATOM 901 N PHE A 54 1.417 17.829 -1.369 1.00 0.00 N ATOM 902 CA PHE A 54 0.709 16.558 -1.450 1.00 0.00 C ATOM 903 C PHE A 54 1.554 15.514 -2.160 1.00 0.00 C ATOM 904 O PHE A 54 1.871 15.654 -3.342 1.00 0.00 O ATOM 905 CB PHE A 54 -0.623 16.731 -2.182 1.00 0.00 C ATOM 906 CG PHE A 54 -1.368 17.980 -1.801 1.00 0.00 C ATOM 907 CD1 PHE A 54 -0.954 19.220 -2.260 1.00 0.00 C ATOM 908 CD2 PHE A 54 -2.484 17.912 -0.981 1.00 0.00 C ATOM 909 CE1 PHE A 54 -1.639 20.368 -1.910 1.00 0.00 C ATOM 910 CE2 PHE A 54 -3.172 19.057 -0.627 1.00 0.00 C ATOM 911 CZ PHE A 54 -2.749 20.286 -1.093 1.00 0.00 C ATOM 0 H PHE A 54 1.453 18.348 -2.246 1.00 0.00 H new ATOM 0 HA PHE A 54 0.513 16.217 -0.433 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.438 16.743 -3.256 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.254 15.866 -1.977 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.086 19.290 -2.899 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.819 16.953 -0.615 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.306 21.328 -2.275 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -4.039 18.991 0.013 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.286 21.182 -0.819 1.00 0.00 H new ATOM 921 N TYR A 55 1.917 14.464 -1.435 1.00 0.00 N ATOM 922 CA TYR A 55 2.724 13.396 -2.003 1.00 0.00 C ATOM 923 C TYR A 55 1.837 12.251 -2.475 1.00 0.00 C ATOM 924 O TYR A 55 1.252 11.530 -1.668 1.00 0.00 O ATOM 925 CB TYR A 55 3.735 12.886 -0.974 1.00 0.00 C ATOM 926 CG TYR A 55 4.767 13.916 -0.574 1.00 0.00 C ATOM 927 CD1 TYR A 55 4.491 14.858 0.409 1.00 0.00 C ATOM 928 CD2 TYR A 55 6.016 13.947 -1.179 1.00 0.00 C ATOM 929 CE1 TYR A 55 5.431 15.803 0.777 1.00 0.00 C ATOM 930 CE2 TYR A 55 6.962 14.887 -0.817 1.00 0.00 C ATOM 931 CZ TYR A 55 6.665 15.811 0.160 1.00 0.00 C ATOM 932 OH TYR A 55 7.604 16.750 0.524 1.00 0.00 O ATOM 0 H TYR A 55 1.666 14.331 -0.456 1.00 0.00 H new ATOM 0 HA TYR A 55 3.266 13.795 -2.860 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.199 12.557 -0.084 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.245 12.013 -1.381 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.526 14.852 0.894 1.00 0.00 H new ATOM 0 HD2 TYR A 55 6.252 13.224 -1.946 1.00 0.00 H new ATOM 0 HE1 TYR A 55 5.201 16.530 1.542 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.929 14.897 -1.298 1.00 0.00 H new ATOM 0 HH TYR A 55 8.419 16.619 -0.004 1.00 0.00 H new ATOM 942 N SER A 56 1.740 12.095 -3.789 1.00 0.00 N ATOM 943 CA SER A 56 0.921 11.042 -4.375 1.00 0.00 C ATOM 944 C SER A 56 1.617 9.687 -4.301 1.00 0.00 C ATOM 945 O SER A 56 2.805 9.568 -4.608 1.00 0.00 O ATOM 946 CB SER A 56 0.588 11.381 -5.830 1.00 0.00 C ATOM 947 OG SER A 56 -0.178 12.570 -5.916 1.00 0.00 O ATOM 0 H SER A 56 2.219 12.685 -4.470 1.00 0.00 H new ATOM 0 HA SER A 56 -0.002 10.978 -3.799 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.510 11.497 -6.399 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.036 10.556 -6.281 1.00 0.00 H new ATOM 0 HG SER A 56 -0.375 12.765 -6.856 1.00 0.00 H new ATOM 953 N PHE A 57 0.868 8.666 -3.895 1.00 0.00 N ATOM 954 CA PHE A 57 1.405 7.314 -3.782 1.00 0.00 C ATOM 955 C PHE A 57 0.370 6.284 -4.223 1.00 0.00 C ATOM 956 O PHE A 57 -0.812 6.404 -3.902 1.00 0.00 O ATOM 957 CB PHE A 57 1.839 7.034 -2.342 1.00 0.00 C ATOM 958 CG PHE A 57 3.084 7.768 -1.937 1.00 0.00 C ATOM 959 CD1 PHE A 57 4.329 7.333 -2.365 1.00 0.00 C ATOM 960 CD2 PHE A 57 3.012 8.890 -1.128 1.00 0.00 C ATOM 961 CE1 PHE A 57 5.478 8.006 -1.994 1.00 0.00 C ATOM 962 CE2 PHE A 57 4.157 9.567 -0.755 1.00 0.00 C ATOM 963 CZ PHE A 57 5.392 9.123 -1.188 1.00 0.00 C ATOM 0 H PHE A 57 -0.116 8.750 -3.638 1.00 0.00 H new ATOM 0 HA PHE A 57 2.273 7.236 -4.436 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.029 7.310 -1.667 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.003 5.963 -2.222 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.402 6.459 -2.995 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.050 9.240 -0.785 1.00 0.00 H new ATOM 0 HE1 PHE A 57 6.442 7.658 -2.335 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.087 10.442 -0.126 1.00 0.00 H new ATOM 0 HZ PHE A 57 6.289 9.649 -0.896 1.00 0.00 H new ATOM 973 N ASN A 58 0.820 5.272 -4.960 1.00 0.00 N ATOM 974 CA ASN A 58 -0.076 4.226 -5.442 1.00 0.00 C ATOM 975 C ASN A 58 0.174 2.913 -4.705 1.00 0.00 C ATOM 976 O ASN A 58 1.251 2.697 -4.152 1.00 0.00 O ATOM 977 CB ASN A 58 0.102 4.027 -6.950 1.00 0.00 C ATOM 978 CG ASN A 58 -1.089 4.528 -7.743 1.00 0.00 C ATOM 979 OD1 ASN A 58 -2.195 4.645 -7.215 1.00 0.00 O ATOM 980 ND2 ASN A 58 -0.868 4.825 -9.019 1.00 0.00 N ATOM 0 H ASN A 58 1.795 5.155 -5.235 1.00 0.00 H new ATOM 0 HA ASN A 58 -1.101 4.539 -5.245 1.00 0.00 H new ATOM 0 HB2 ASN A 58 1.000 4.549 -7.279 1.00 0.00 H new ATOM 0 HB3 ASN A 58 0.255 2.968 -7.159 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.632 5.165 -9.603 1.00 0.00 H new ATOM 0 HD22 ASN A 58 0.065 4.713 -9.415 1.00 0.00 H new ATOM 987 N VAL A 59 -0.831 2.042 -4.701 1.00 0.00 N ATOM 988 CA VAL A 59 -0.719 0.752 -4.028 1.00 0.00 C ATOM 989 C VAL A 59 -1.346 -0.362 -4.861 1.00 0.00 C ATOM 990 O VAL A 59 -2.555 -0.376 -5.086 1.00 0.00 O ATOM 991 CB VAL A 59 -1.394 0.776 -2.641 1.00 0.00 C ATOM 992 CG1 VAL A 59 -0.883 -0.370 -1.780 1.00 0.00 C ATOM 993 CG2 VAL A 59 -1.165 2.113 -1.952 1.00 0.00 C ATOM 0 H VAL A 59 -1.730 2.205 -5.155 1.00 0.00 H new ATOM 0 HA VAL A 59 0.346 0.557 -3.904 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.468 0.648 -2.780 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.370 -0.338 -0.805 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.108 -1.319 -2.267 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.195 -0.275 -1.651 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.650 2.107 -0.976 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.095 2.278 -1.825 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.586 2.913 -2.561 1.00 0.00 H new ATOM 1003 N SER A 60 -0.513 -1.294 -5.312 1.00 0.00 N ATOM 1004 CA SER A 60 -0.984 -2.414 -6.119 1.00 0.00 C ATOM 1005 C SER A 60 -0.965 -3.709 -5.313 1.00 0.00 C ATOM 1006 O SER A 60 0.099 -4.212 -4.951 1.00 0.00 O ATOM 1007 CB SER A 60 -0.121 -2.565 -7.374 1.00 0.00 C ATOM 1008 OG SER A 60 -0.925 -2.741 -8.527 1.00 0.00 O ATOM 0 H SER A 60 0.491 -1.296 -5.133 1.00 0.00 H new ATOM 0 HA SER A 60 -2.012 -2.209 -6.418 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.507 -1.682 -7.496 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.547 -3.418 -7.259 1.00 0.00 H new ATOM 0 HG SER A 60 -1.594 -2.027 -8.571 1.00 0.00 H new ATOM 1014 N MET A 61 -2.150 -4.244 -5.037 1.00 0.00 N ATOM 1015 CA MET A 61 -2.274 -5.481 -4.274 1.00 0.00 C ATOM 1016 C MET A 61 -3.327 -6.395 -4.896 1.00 0.00 C ATOM 1017 O MET A 61 -4.331 -5.927 -5.430 1.00 0.00 O ATOM 1018 CB MET A 61 -2.638 -5.167 -2.819 1.00 0.00 C ATOM 1019 CG MET A 61 -2.960 -6.398 -1.985 1.00 0.00 C ATOM 1020 SD MET A 61 -1.567 -7.535 -1.855 1.00 0.00 S ATOM 1021 CE MET A 61 -2.119 -8.595 -0.520 1.00 0.00 C ATOM 0 H MET A 61 -3.039 -3.840 -5.331 1.00 0.00 H new ATOM 0 HA MET A 61 -1.315 -5.998 -4.296 1.00 0.00 H new ATOM 0 HB2 MET A 61 -1.809 -4.632 -2.355 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.497 -4.497 -2.806 1.00 0.00 H new ATOM 0 HG2 MET A 61 -3.263 -6.086 -0.986 1.00 0.00 H new ATOM 0 HG3 MET A 61 -3.809 -6.919 -2.427 1.00 0.00 H new ATOM 0 HE1 MET A 61 -1.288 -9.211 -0.177 1.00 0.00 H new ATOM 0 HE2 MET A 61 -2.481 -7.982 0.306 1.00 0.00 H new ATOM 0 HE3 MET A 61 -2.925 -9.238 -0.875 1.00 0.00 H new ATOM 1031 N GLU A 62 -3.087 -7.701 -4.821 1.00 0.00 N ATOM 1032 CA GLU A 62 -4.016 -8.679 -5.377 1.00 0.00 C ATOM 1033 C GLU A 62 -5.303 -8.733 -4.558 1.00 0.00 C ATOM 1034 O GLU A 62 -5.334 -9.301 -3.469 1.00 0.00 O ATOM 1035 CB GLU A 62 -3.366 -10.063 -5.420 1.00 0.00 C ATOM 1036 CG GLU A 62 -4.135 -11.070 -6.260 1.00 0.00 C ATOM 1037 CD GLU A 62 -3.858 -12.503 -5.850 1.00 0.00 C ATOM 1038 OE1 GLU A 62 -3.904 -12.792 -4.636 1.00 0.00 O ATOM 1039 OE2 GLU A 62 -3.595 -13.337 -6.742 1.00 0.00 O ATOM 0 H GLU A 62 -2.260 -8.105 -4.382 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.265 -8.371 -6.392 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.355 -9.968 -5.816 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.275 -10.445 -4.403 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.203 -10.871 -6.172 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.872 -10.939 -7.310 1.00 0.00 H new ATOM 1046 N VAL A 63 -6.360 -8.132 -5.094 1.00 0.00 N ATOM 1047 CA VAL A 63 -7.651 -8.107 -4.416 1.00 0.00 C ATOM 1048 C VAL A 63 -8.497 -9.316 -4.800 1.00 0.00 C ATOM 1049 O VAL A 63 -8.495 -9.745 -5.953 1.00 0.00 O ATOM 1050 CB VAL A 63 -8.429 -6.816 -4.745 1.00 0.00 C ATOM 1051 CG1 VAL A 63 -9.806 -6.830 -4.094 1.00 0.00 C ATOM 1052 CG2 VAL A 63 -7.636 -5.591 -4.308 1.00 0.00 C ATOM 0 H VAL A 63 -6.348 -7.656 -5.996 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.451 -8.138 -3.345 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.570 -6.767 -5.825 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -10.335 -5.909 -4.341 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.374 -7.684 -4.462 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.696 -6.906 -3.012 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.199 -4.689 -4.547 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.461 -5.635 -3.233 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.680 -5.571 -4.831 1.00 0.00 H new ATOM 1062 N SER A 64 -9.222 -9.855 -3.823 1.00 0.00 N ATOM 1063 CA SER A 64 -10.080 -11.014 -4.050 1.00 0.00 C ATOM 1064 C SER A 64 -11.553 -10.624 -3.956 1.00 0.00 C ATOM 1065 O SER A 64 -12.404 -11.208 -4.627 1.00 0.00 O ATOM 1066 CB SER A 64 -9.767 -12.113 -3.033 1.00 0.00 C ATOM 1067 OG SER A 64 -8.728 -12.958 -3.498 1.00 0.00 O ATOM 0 H SER A 64 -9.232 -9.506 -2.864 1.00 0.00 H new ATOM 0 HA SER A 64 -9.884 -11.391 -5.054 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.476 -11.662 -2.084 1.00 0.00 H new ATOM 0 HB3 SER A 64 -10.663 -12.704 -2.844 1.00 0.00 H new ATOM 0 HG SER A 64 -8.546 -13.651 -2.829 1.00 0.00 H new ATOM 1073 N ASN A 65 -11.846 -9.632 -3.120 1.00 0.00 N ATOM 1074 CA ASN A 65 -13.215 -9.161 -2.934 1.00 0.00 C ATOM 1075 C ASN A 65 -13.238 -7.836 -2.175 1.00 0.00 C ATOM 1076 O ASN A 65 -12.190 -7.307 -1.803 1.00 0.00 O ATOM 1077 CB ASN A 65 -14.049 -10.206 -2.185 1.00 0.00 C ATOM 1078 CG ASN A 65 -13.243 -10.963 -1.144 1.00 0.00 C ATOM 1079 OD1 ASN A 65 -12.686 -10.237 -0.180 1.00 0.00 O flip ATOM 1080 ND2 ASN A 65 -13.124 -12.187 -1.204 1.00 0.00 N flip ATOM 0 H ASN A 65 -11.152 -9.138 -2.559 1.00 0.00 H new ATOM 0 HA ASN A 65 -13.650 -9.004 -3.921 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -14.890 -9.713 -1.699 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -14.465 -10.914 -2.902 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -13.568 -12.706 -1.961 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -12.581 -12.682 -0.496 1.00 0.00 H new ATOM 1087 N GLU A 66 -14.437 -7.306 -1.948 1.00 0.00 N ATOM 1088 CA GLU A 66 -14.593 -6.043 -1.232 1.00 0.00 C ATOM 1089 C GLU A 66 -13.941 -6.110 0.144 1.00 0.00 C ATOM 1090 O GLU A 66 -13.457 -5.104 0.663 1.00 0.00 O ATOM 1091 CB GLU A 66 -16.075 -5.691 -1.088 1.00 0.00 C ATOM 1092 CG GLU A 66 -16.915 -6.821 -0.515 1.00 0.00 C ATOM 1093 CD GLU A 66 -17.355 -6.556 0.911 1.00 0.00 C ATOM 1094 OE1 GLU A 66 -17.982 -5.504 1.152 1.00 0.00 O ATOM 1095 OE2 GLU A 66 -17.074 -7.402 1.786 1.00 0.00 O ATOM 0 H GLU A 66 -15.314 -7.731 -2.249 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.096 -5.266 -1.812 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.171 -4.816 -0.446 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.471 -5.414 -2.065 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.795 -6.968 -1.141 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.342 -7.748 -0.548 1.00 0.00 H new ATOM 1102 N SER A 67 -13.931 -7.302 0.733 1.00 0.00 N ATOM 1103 CA SER A 67 -13.338 -7.502 2.051 1.00 0.00 C ATOM 1104 C SER A 67 -11.925 -6.929 2.108 1.00 0.00 C ATOM 1105 O SER A 67 -11.605 -6.117 2.978 1.00 0.00 O ATOM 1106 CB SER A 67 -13.311 -8.992 2.401 1.00 0.00 C ATOM 1107 OG SER A 67 -13.666 -9.205 3.756 1.00 0.00 O ATOM 0 H SER A 67 -14.327 -8.145 0.318 1.00 0.00 H new ATOM 0 HA SER A 67 -13.953 -6.975 2.780 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.999 -9.533 1.752 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.315 -9.394 2.215 1.00 0.00 H new ATOM 0 HG SER A 67 -13.643 -10.165 3.953 1.00 0.00 H new ATOM 1113 N GLU A 68 -11.084 -7.351 1.170 1.00 0.00 N ATOM 1114 CA GLU A 68 -9.709 -6.874 1.113 1.00 0.00 C ATOM 1115 C GLU A 68 -9.672 -5.394 0.756 1.00 0.00 C ATOM 1116 O GLU A 68 -9.026 -4.601 1.437 1.00 0.00 O ATOM 1117 CB GLU A 68 -8.891 -7.674 0.094 1.00 0.00 C ATOM 1118 CG GLU A 68 -9.281 -9.142 0.007 1.00 0.00 C ATOM 1119 CD GLU A 68 -8.082 -10.069 0.064 1.00 0.00 C ATOM 1120 OE1 GLU A 68 -7.447 -10.153 1.137 1.00 0.00 O ATOM 1121 OE2 GLU A 68 -7.777 -10.709 -0.963 1.00 0.00 O ATOM 0 H GLU A 68 -11.330 -8.021 0.441 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.267 -7.014 2.099 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.008 -7.218 -0.889 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.835 -7.603 0.355 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.961 -9.383 0.825 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.825 -9.315 -0.921 1.00 0.00 H new ATOM 1128 N ARG A 69 -10.373 -5.029 -0.317 1.00 0.00 N ATOM 1129 CA ARG A 69 -10.427 -3.642 -0.776 1.00 0.00 C ATOM 1130 C ARG A 69 -10.574 -2.670 0.393 1.00 0.00 C ATOM 1131 O ARG A 69 -9.972 -1.596 0.401 1.00 0.00 O ATOM 1132 CB ARG A 69 -11.586 -3.453 -1.757 1.00 0.00 C ATOM 1133 CG ARG A 69 -11.414 -2.260 -2.682 1.00 0.00 C ATOM 1134 CD ARG A 69 -12.740 -1.835 -3.297 1.00 0.00 C ATOM 1135 NE ARG A 69 -12.573 -0.756 -4.267 1.00 0.00 N ATOM 1136 CZ ARG A 69 -12.141 -0.939 -5.513 1.00 0.00 C ATOM 1137 NH1 ARG A 69 -11.830 -2.156 -5.943 1.00 0.00 N ATOM 1138 NH2 ARG A 69 -12.019 0.097 -6.332 1.00 0.00 N ATOM 0 H ARG A 69 -10.914 -5.679 -0.887 1.00 0.00 H new ATOM 0 HA ARG A 69 -9.486 -3.424 -1.281 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -11.692 -4.356 -2.359 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.512 -3.335 -1.194 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -10.986 -1.426 -2.126 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -10.708 -2.511 -3.474 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -13.205 -2.692 -3.785 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -13.418 -1.511 -2.508 1.00 0.00 H new ATOM 0 HE ARG A 69 -12.801 0.194 -3.973 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -11.922 -2.957 -5.318 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -11.500 -2.290 -6.899 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -12.256 1.034 -6.007 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -11.688 -0.044 -7.286 1.00 0.00 H new ATOM 1152 N ASN A 70 -11.373 -3.056 1.381 1.00 0.00 N ATOM 1153 CA ASN A 70 -11.592 -2.223 2.556 1.00 0.00 C ATOM 1154 C ASN A 70 -10.375 -2.255 3.473 1.00 0.00 C ATOM 1155 O ASN A 70 -10.046 -1.261 4.122 1.00 0.00 O ATOM 1156 CB ASN A 70 -12.834 -2.689 3.317 1.00 0.00 C ATOM 1157 CG ASN A 70 -13.352 -1.638 4.277 1.00 0.00 C ATOM 1158 OD1 ASN A 70 -12.675 -1.272 5.240 1.00 0.00 O ATOM 1159 ND2 ASN A 70 -14.560 -1.144 4.023 1.00 0.00 N ATOM 0 H ASN A 70 -11.880 -3.941 1.391 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.748 -1.197 2.221 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -13.618 -2.945 2.605 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.598 -3.598 3.871 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -14.960 -0.434 4.636 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -15.087 -1.475 3.215 1.00 0.00 H new ATOM 1166 N GLU A 71 -9.709 -3.404 3.521 1.00 0.00 N ATOM 1167 CA GLU A 71 -8.525 -3.568 4.354 1.00 0.00 C ATOM 1168 C GLU A 71 -7.312 -2.893 3.720 1.00 0.00 C ATOM 1169 O GLU A 71 -6.516 -2.254 4.409 1.00 0.00 O ATOM 1170 CB GLU A 71 -8.239 -5.056 4.579 1.00 0.00 C ATOM 1171 CG GLU A 71 -7.966 -5.409 6.033 1.00 0.00 C ATOM 1172 CD GLU A 71 -7.819 -6.902 6.251 1.00 0.00 C ATOM 1173 OE1 GLU A 71 -7.479 -7.614 5.284 1.00 0.00 O ATOM 1174 OE2 GLU A 71 -8.046 -7.358 7.392 1.00 0.00 O ATOM 0 H GLU A 71 -9.970 -4.236 2.992 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.718 -3.092 5.315 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.090 -5.639 4.226 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.380 -5.348 3.975 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.056 -4.906 6.361 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.779 -5.033 6.654 1.00 0.00 H new ATOM 1181 N ILE A 72 -7.175 -3.038 2.404 1.00 0.00 N ATOM 1182 CA ILE A 72 -6.054 -2.440 1.685 1.00 0.00 C ATOM 1183 C ILE A 72 -6.098 -0.917 1.770 1.00 0.00 C ATOM 1184 O ILE A 72 -5.062 -0.254 1.723 1.00 0.00 O ATOM 1185 CB ILE A 72 -6.036 -2.853 0.197 1.00 0.00 C ATOM 1186 CG1 ILE A 72 -6.363 -4.344 0.045 1.00 0.00 C ATOM 1187 CG2 ILE A 72 -4.681 -2.531 -0.416 1.00 0.00 C ATOM 1188 CD1 ILE A 72 -6.023 -4.915 -1.316 1.00 0.00 C ATOM 0 H ILE A 72 -7.823 -3.562 1.816 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.148 -2.810 2.164 1.00 0.00 H new ATOM 0 HB ILE A 72 -6.801 -2.286 -0.334 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.821 -4.904 0.808 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.426 -4.493 0.235 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -4.677 -2.826 -1.465 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.492 -1.460 -0.339 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.902 -3.076 0.117 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.284 -5.973 -1.342 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.585 -4.383 -2.084 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.955 -4.800 -1.502 1.00 0.00 H new ATOM 1200 N PHE A 73 -7.302 -0.367 1.895 1.00 0.00 N ATOM 1201 CA PHE A 73 -7.477 1.079 1.984 1.00 0.00 C ATOM 1202 C PHE A 73 -7.198 1.582 3.398 1.00 0.00 C ATOM 1203 O PHE A 73 -6.423 2.517 3.592 1.00 0.00 O ATOM 1204 CB PHE A 73 -8.895 1.470 1.557 1.00 0.00 C ATOM 1205 CG PHE A 73 -8.930 2.426 0.399 1.00 0.00 C ATOM 1206 CD1 PHE A 73 -8.279 3.646 0.471 1.00 0.00 C ATOM 1207 CD2 PHE A 73 -9.617 2.105 -0.761 1.00 0.00 C ATOM 1208 CE1 PHE A 73 -8.309 4.528 -0.591 1.00 0.00 C ATOM 1209 CE2 PHE A 73 -9.650 2.982 -1.828 1.00 0.00 C ATOM 1210 CZ PHE A 73 -8.997 4.195 -1.743 1.00 0.00 C ATOM 0 H PHE A 73 -8.170 -0.900 1.937 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.760 1.546 1.309 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -9.447 0.569 1.291 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -9.410 1.920 2.405 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.741 3.911 1.369 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -10.132 1.159 -0.832 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -7.796 5.476 -0.522 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -10.186 2.719 -2.728 1.00 0.00 H new ATOM 0 HZ PHE A 73 -9.023 4.883 -2.575 1.00 0.00 H new ATOM 1220 N GLN A 74 -7.837 0.957 4.382 1.00 0.00 N ATOM 1221 CA GLN A 74 -7.658 1.345 5.776 1.00 0.00 C ATOM 1222 C GLN A 74 -6.228 1.081 6.240 1.00 0.00 C ATOM 1223 O GLN A 74 -5.727 1.745 7.146 1.00 0.00 O ATOM 1224 CB GLN A 74 -8.646 0.594 6.669 1.00 0.00 C ATOM 1225 CG GLN A 74 -8.407 -0.908 6.715 1.00 0.00 C ATOM 1226 CD GLN A 74 -8.313 -1.441 8.131 1.00 0.00 C ATOM 1227 OE1 GLN A 74 -7.239 -1.454 8.733 1.00 0.00 O ATOM 1228 NE2 GLN A 74 -9.441 -1.887 8.672 1.00 0.00 N ATOM 0 H GLN A 74 -8.483 0.180 4.240 1.00 0.00 H new ATOM 0 HA GLN A 74 -7.851 2.415 5.854 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -8.585 0.994 7.681 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.659 0.781 6.313 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.217 -1.417 6.192 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -7.486 -1.142 6.181 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -10.309 -1.858 8.138 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -9.439 -2.259 9.622 1.00 0.00 H new ATOM 1237 N LYS A 75 -5.576 0.106 5.613 1.00 0.00 N ATOM 1238 CA LYS A 75 -4.205 -0.245 5.966 1.00 0.00 C ATOM 1239 C LYS A 75 -3.223 0.797 5.440 1.00 0.00 C ATOM 1240 O LYS A 75 -2.305 1.211 6.147 1.00 0.00 O ATOM 1241 CB LYS A 75 -3.851 -1.625 5.409 1.00 0.00 C ATOM 1242 CG LYS A 75 -4.341 -2.775 6.274 1.00 0.00 C ATOM 1243 CD LYS A 75 -3.374 -3.068 7.411 1.00 0.00 C ATOM 1244 CE LYS A 75 -3.896 -2.541 8.738 1.00 0.00 C ATOM 1245 NZ LYS A 75 -2.881 -2.661 9.822 1.00 0.00 N ATOM 0 H LYS A 75 -5.975 -0.454 4.859 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.131 -0.270 7.053 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.277 -1.725 4.411 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.769 -1.698 5.302 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.322 -2.532 6.683 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.463 -3.667 5.660 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.212 -4.143 7.484 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.407 -2.614 7.193 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.185 -1.496 8.625 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.794 -3.091 9.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.276 -2.291 10.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.624 -3.661 9.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.034 -2.115 9.566 1.00 0.00 H new ATOM 1259 N ILE A 76 -3.420 1.217 4.195 1.00 0.00 N ATOM 1260 CA ILE A 76 -2.551 2.210 3.577 1.00 0.00 C ATOM 1261 C ILE A 76 -2.773 3.588 4.192 1.00 0.00 C ATOM 1262 O ILE A 76 -1.835 4.370 4.342 1.00 0.00 O ATOM 1263 CB ILE A 76 -2.778 2.287 2.054 1.00 0.00 C ATOM 1264 CG1 ILE A 76 -1.775 3.246 1.410 1.00 0.00 C ATOM 1265 CG2 ILE A 76 -4.204 2.719 1.745 1.00 0.00 C ATOM 1266 CD1 ILE A 76 -0.393 2.651 1.244 1.00 0.00 C ATOM 0 H ILE A 76 -4.174 0.885 3.594 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.524 1.896 3.762 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.623 1.293 1.634 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.151 3.550 0.433 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.703 4.147 2.019 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.344 2.767 0.665 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.903 1.998 2.169 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.389 3.702 2.179 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.266 3.386 0.781 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.003 2.372 2.221 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.452 1.766 0.610 1.00 0.00 H new ATOM 1278 N SER A 77 -4.020 3.876 4.547 1.00 0.00 N ATOM 1279 CA SER A 77 -4.365 5.158 5.150 1.00 0.00 C ATOM 1280 C SER A 77 -4.496 5.028 6.664 1.00 0.00 C ATOM 1281 O SER A 77 -5.222 5.791 7.301 1.00 0.00 O ATOM 1282 CB SER A 77 -5.671 5.689 4.556 1.00 0.00 C ATOM 1283 OG SER A 77 -5.466 6.211 3.255 1.00 0.00 O ATOM 0 H SER A 77 -4.808 3.240 4.428 1.00 0.00 H new ATOM 0 HA SER A 77 -3.563 5.863 4.932 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.409 4.887 4.517 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.078 6.466 5.203 1.00 0.00 H new ATOM 0 HG SER A 77 -6.282 6.098 2.725 1.00 0.00 H new ATOM 1289 N GLN A 78 -3.788 4.058 7.234 1.00 0.00 N ATOM 1290 CA GLN A 78 -3.826 3.829 8.674 1.00 0.00 C ATOM 1291 C GLN A 78 -3.314 5.049 9.432 1.00 0.00 C ATOM 1292 O GLN A 78 -3.989 5.566 10.324 1.00 0.00 O ATOM 1293 CB GLN A 78 -2.996 2.595 9.038 1.00 0.00 C ATOM 1294 CG GLN A 78 -3.804 1.493 9.702 1.00 0.00 C ATOM 1295 CD GLN A 78 -4.130 1.802 11.151 1.00 0.00 C ATOM 1296 OE1 GLN A 78 -3.263 1.732 12.023 1.00 0.00 O ATOM 1297 NE2 GLN A 78 -5.385 2.145 11.415 1.00 0.00 N ATOM 0 H GLN A 78 -3.181 3.418 6.721 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.862 3.656 8.963 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.532 2.200 8.134 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -2.188 2.895 9.706 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.731 1.343 9.149 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.247 0.557 9.650 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -6.071 2.190 10.661 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -5.664 2.363 12.372 1.00 0.00 H new ATOM 1306 N LEU A 79 -2.118 5.504 9.074 1.00 0.00 N ATOM 1307 CA LEU A 79 -1.516 6.664 9.721 1.00 0.00 C ATOM 1308 C LEU A 79 -2.384 7.904 9.532 1.00 0.00 C ATOM 1309 O LEU A 79 -3.447 7.841 8.914 1.00 0.00 O ATOM 1310 CB LEU A 79 -0.113 6.915 9.163 1.00 0.00 C ATOM 1311 CG LEU A 79 1.025 6.274 9.960 1.00 0.00 C ATOM 1312 CD1 LEU A 79 2.245 6.068 9.077 1.00 0.00 C ATOM 1313 CD2 LEU A 79 1.378 7.132 11.166 1.00 0.00 C ATOM 0 H LEU A 79 -1.546 5.087 8.339 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.441 6.456 10.788 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.074 6.543 8.139 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.056 7.991 9.118 1.00 0.00 H new ATOM 0 HG LEU A 79 0.690 5.299 10.316 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.044 5.611 9.661 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.985 5.415 8.244 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.582 7.030 8.692 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.189 6.662 11.722 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.693 8.120 10.830 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.505 7.230 11.811 1.00 0.00 H new ATOM 1325 N ASP A 80 -1.922 9.029 10.067 1.00 0.00 N ATOM 1326 CA ASP A 80 -2.655 10.285 9.955 1.00 0.00 C ATOM 1327 C ASP A 80 -1.972 11.229 8.971 1.00 0.00 C ATOM 1328 O ASP A 80 -2.030 12.447 9.123 1.00 0.00 O ATOM 1329 CB ASP A 80 -2.770 10.956 11.325 1.00 0.00 C ATOM 1330 CG ASP A 80 -3.929 10.413 12.140 1.00 0.00 C ATOM 1331 OD1 ASP A 80 -4.135 9.181 12.130 1.00 0.00 O ATOM 1332 OD2 ASP A 80 -4.629 11.220 12.786 1.00 0.00 O ATOM 0 H ASP A 80 -1.044 9.097 10.582 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.654 10.061 9.582 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.841 10.810 11.877 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.896 12.030 11.191 1.00 0.00 H new ATOM 1337 N LYS A 81 -1.326 10.655 7.962 1.00 0.00 N ATOM 1338 CA LYS A 81 -0.630 11.445 6.953 1.00 0.00 C ATOM 1339 C LYS A 81 -1.531 11.704 5.750 1.00 0.00 C ATOM 1340 O LYS A 81 -1.633 12.833 5.268 1.00 0.00 O ATOM 1341 CB LYS A 81 0.645 10.728 6.502 1.00 0.00 C ATOM 1342 CG LYS A 81 1.445 10.126 7.650 1.00 0.00 C ATOM 1343 CD LYS A 81 2.803 10.795 7.806 1.00 0.00 C ATOM 1344 CE LYS A 81 2.968 11.409 9.187 1.00 0.00 C ATOM 1345 NZ LYS A 81 3.002 10.373 10.255 1.00 0.00 N ATOM 0 H LYS A 81 -1.270 9.646 7.821 1.00 0.00 H new ATOM 0 HA LYS A 81 -0.362 12.403 7.399 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.378 9.936 5.802 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.276 11.433 5.961 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.882 10.227 8.578 1.00 0.00 H new ATOM 0 HG3 LYS A 81 1.584 9.059 7.476 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.592 10.062 7.636 1.00 0.00 H new ATOM 0 HD3 LYS A 81 2.918 11.569 7.047 1.00 0.00 H new ATOM 0 HE2 LYS A 81 3.889 11.992 9.217 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.147 12.100 9.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 3.642 10.679 11.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 2.045 10.240 10.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.342 9.475 9.856 1.00 0.00 H new ATOM 1359 N VAL A 82 -2.185 10.651 5.269 1.00 0.00 N ATOM 1360 CA VAL A 82 -3.079 10.759 4.121 1.00 0.00 C ATOM 1361 C VAL A 82 -4.123 11.850 4.330 1.00 0.00 C ATOM 1362 O VAL A 82 -4.632 12.033 5.437 1.00 0.00 O ATOM 1363 CB VAL A 82 -3.800 9.425 3.843 1.00 0.00 C ATOM 1364 CG1 VAL A 82 -2.804 8.353 3.429 1.00 0.00 C ATOM 1365 CG2 VAL A 82 -4.597 8.983 5.062 1.00 0.00 C ATOM 0 H VAL A 82 -2.112 9.711 5.658 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.457 11.017 3.264 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.497 9.576 3.018 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.333 7.419 3.237 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.285 8.668 2.524 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.079 8.202 4.229 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.099 8.040 4.846 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.923 8.850 5.909 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.341 9.742 5.305 1.00 0.00 H new ATOM 1375 N VAL A 83 -4.437 12.573 3.261 1.00 0.00 N ATOM 1376 CA VAL A 83 -5.417 13.646 3.326 1.00 0.00 C ATOM 1377 C VAL A 83 -6.489 13.470 2.252 1.00 0.00 C ATOM 1378 O VAL A 83 -7.683 13.597 2.526 1.00 0.00 O ATOM 1379 CB VAL A 83 -4.741 15.020 3.151 1.00 0.00 C ATOM 1380 CG1 VAL A 83 -5.774 16.138 3.135 1.00 0.00 C ATOM 1381 CG2 VAL A 83 -3.718 15.248 4.254 1.00 0.00 C ATOM 0 H VAL A 83 -4.025 12.434 2.338 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.886 13.602 4.309 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.225 15.028 2.191 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.271 17.097 3.010 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.467 15.982 2.308 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.325 16.137 4.075 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.248 16.222 4.119 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.215 15.217 5.224 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.957 14.469 4.211 1.00 0.00 H new ATOM 1391 N GLN A 84 -6.055 13.177 1.031 1.00 0.00 N ATOM 1392 CA GLN A 84 -6.977 12.983 -0.083 1.00 0.00 C ATOM 1393 C GLN A 84 -6.819 11.590 -0.684 1.00 0.00 C ATOM 1394 O GLN A 84 -5.839 11.309 -1.374 1.00 0.00 O ATOM 1395 CB GLN A 84 -6.740 14.045 -1.158 1.00 0.00 C ATOM 1396 CG GLN A 84 -7.714 13.960 -2.322 1.00 0.00 C ATOM 1397 CD GLN A 84 -7.956 15.304 -2.980 1.00 0.00 C ATOM 1398 OE1 GLN A 84 -7.026 15.940 -3.478 1.00 0.00 O ATOM 1399 NE2 GLN A 84 -9.209 15.744 -2.987 1.00 0.00 N ATOM 0 H GLN A 84 -5.071 13.069 0.787 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.994 13.081 0.298 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -6.815 15.033 -0.704 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -5.723 13.945 -1.538 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -7.328 13.261 -3.064 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -8.663 13.557 -1.968 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -9.949 15.184 -2.563 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -9.432 16.642 -3.417 1.00 0.00 H new ATOM 1408 N THR A 85 -7.792 10.724 -0.423 1.00 0.00 N ATOM 1409 CA THR A 85 -7.761 9.360 -0.939 1.00 0.00 C ATOM 1410 C THR A 85 -8.398 9.292 -2.323 1.00 0.00 C ATOM 1411 O THR A 85 -9.243 10.117 -2.671 1.00 0.00 O ATOM 1412 CB THR A 85 -8.486 8.413 0.016 1.00 0.00 C ATOM 1413 OG1 THR A 85 -9.633 9.038 0.569 1.00 0.00 O ATOM 1414 CG2 THR A 85 -7.622 7.942 1.166 1.00 0.00 C ATOM 0 H THR A 85 -8.612 10.942 0.143 1.00 0.00 H new ATOM 0 HA THR A 85 -6.719 9.051 -1.020 1.00 0.00 H new ATOM 0 HB THR A 85 -8.759 7.549 -0.589 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.084 8.415 1.176 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.199 7.273 1.805 1.00 0.00 H new ATOM 0 HG22 THR A 85 -6.754 7.411 0.775 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.290 8.802 1.748 1.00 0.00 H new ATOM 1422 N LEU A 86 -7.987 8.302 -3.110 1.00 0.00 N ATOM 1423 CA LEU A 86 -8.518 8.125 -4.457 1.00 0.00 C ATOM 1424 C LEU A 86 -8.279 9.370 -5.306 1.00 0.00 C ATOM 1425 O LEU A 86 -9.076 10.326 -5.190 1.00 0.00 O ATOM 1426 CB LEU A 86 -10.014 7.812 -4.398 1.00 0.00 C ATOM 1427 CG LEU A 86 -10.577 7.115 -5.637 1.00 0.00 C ATOM 1428 CD1 LEU A 86 -10.178 5.648 -5.652 1.00 0.00 C ATOM 1429 CD2 LEU A 86 -12.091 7.257 -5.686 1.00 0.00 C ATOM 1430 OXT LEU A 86 -7.299 9.380 -6.079 1.00 0.00 O ATOM 0 H LEU A 86 -7.288 7.611 -2.838 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.996 7.288 -4.920 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -10.205 7.184 -3.528 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -10.559 8.743 -4.244 1.00 0.00 H new ATOM 0 HG LEU A 86 -10.157 7.594 -6.522 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.588 5.169 -6.541 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.091 5.567 -5.664 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -10.569 5.156 -4.762 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -12.475 6.755 -6.574 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -12.528 6.804 -4.796 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -12.356 8.314 -5.723 1.00 0.00 H new TER 1442 LEU A 86