USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=31 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 Set 1.1: A 47 ASN : amide:sc= -1.94 X(o=-3.6,f=-3.4) USER MOD Set 1.2: A 51 ASN : amide:sc= -1.68 K(o=-3.6,f=-7.2!) USER MOD Set 2.1: A 48 THR OG1 : rot 90:sc= 0.391 USER MOD Set 2.2: A 50 LYS NZ :NH3+ 175:sc= 0.41 (180deg=0) USER MOD Set 3.1: A 1 MET CE :methyl -168:sc= 0 (180deg=0) USER MOD Set 3.2: A 3 SER OG : rot 180:sc=-0.00523 USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0732) USER MOD Single : A 9 THR OG1 : rot -64:sc= 0.544 USER MOD Single : A 12 TYR OH : rot 130:sc= -0.19 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot -140:sc= -1.35 USER MOD Single : A 22 MET CE :methyl -103:sc=-0.00748 (180deg=-1.1) USER MOD Single : A 23 THR OG1 : rot 66:sc= -0.793! USER MOD Single : A 24 THR OG1 : rot 80:sc= -1.14 USER MOD Single : A 25 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.141) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.581 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+ 141:sc= 0.405 (180deg=0.0284) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 165:sc= -1.42 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.042) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -45:sc= 1.02 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 -11:sc= -1.85 USER MOD Single : A 58 ASN : amide:sc= -0.0203 K(o=-0.02,f=-6.1!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -151:sc= 0 (180deg=-1.26) USER MOD Single : A 64 SER OG : rot 180:sc= -1.67 USER MOD Single : A 65 ASN : amide:sc= -1.98 K(o=-2,f=-0.71) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= -0.845 K(o=-0.84,f=-0.073) USER MOD Single : A 75 LYS NZ :NH3+ -143:sc= 0.425 (180deg=-0.306) USER MOD Single : A 77 SER OG : rot 160:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.212 K(o=-0.21,f=-2.3!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.364 K(o=-0.36,f=-2.5!) USER MOD Single : A 85 THR OG1 : rot 9:sc= 0.823 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -40.610 -8.147 7.426 1.00 0.00 N ATOM 2 CA MET A 1 -39.867 -9.004 6.466 1.00 0.00 C ATOM 3 C MET A 1 -39.177 -10.163 7.180 1.00 0.00 C ATOM 4 O MET A 1 -38.033 -10.040 7.617 1.00 0.00 O ATOM 5 CB MET A 1 -38.833 -8.140 5.740 1.00 0.00 C ATOM 6 CG MET A 1 -38.344 -8.744 4.434 1.00 0.00 C ATOM 7 SD MET A 1 -39.584 -8.668 3.127 1.00 0.00 S ATOM 8 CE MET A 1 -39.355 -10.264 2.349 1.00 0.00 C ATOM 0 H1 MET A 1 -41.069 -7.368 6.913 1.00 0.00 H new ATOM 0 H2 MET A 1 -41.333 -8.715 7.911 1.00 0.00 H new ATOM 0 H3 MET A 1 -39.948 -7.757 8.127 1.00 0.00 H new ATOM 0 HA MET A 1 -40.569 -9.431 5.750 1.00 0.00 H new ATOM 0 HB2 MET A 1 -39.268 -7.161 5.538 1.00 0.00 H new ATOM 0 HB3 MET A 1 -37.979 -7.980 6.398 1.00 0.00 H new ATOM 0 HG2 MET A 1 -37.446 -8.218 4.109 1.00 0.00 H new ATOM 0 HG3 MET A 1 -38.062 -9.783 4.602 1.00 0.00 H new ATOM 0 HE1 MET A 1 -39.892 -10.287 1.401 1.00 0.00 H new ATOM 0 HE2 MET A 1 -38.293 -10.432 2.168 1.00 0.00 H new ATOM 0 HE3 MET A 1 -39.740 -11.046 3.003 1.00 0.00 H new ATOM 20 N PRO A 2 -39.865 -11.311 7.309 1.00 0.00 N ATOM 21 CA PRO A 2 -39.310 -12.493 7.974 1.00 0.00 C ATOM 22 C PRO A 2 -38.173 -13.124 7.177 1.00 0.00 C ATOM 23 O PRO A 2 -37.281 -13.756 7.743 1.00 0.00 O ATOM 24 CB PRO A 2 -40.502 -13.452 8.055 1.00 0.00 C ATOM 25 CG PRO A 2 -41.401 -13.034 6.944 1.00 0.00 C ATOM 26 CD PRO A 2 -41.236 -11.546 6.815 1.00 0.00 C ATOM 0 HA PRO A 2 -38.878 -12.248 8.944 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -40.185 -14.488 7.939 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -41.004 -13.379 9.020 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -41.134 -13.538 6.015 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -42.437 -13.294 7.161 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -41.353 -11.216 5.783 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -41.975 -11.007 7.408 1.00 0.00 H new ATOM 34 N SER A 3 -38.211 -12.945 5.860 1.00 0.00 N ATOM 35 CA SER A 3 -37.183 -13.496 4.985 1.00 0.00 C ATOM 36 C SER A 3 -36.245 -12.398 4.492 1.00 0.00 C ATOM 37 O SER A 3 -36.684 -11.411 3.905 1.00 0.00 O ATOM 38 CB SER A 3 -37.826 -14.206 3.793 1.00 0.00 C ATOM 39 OG SER A 3 -38.460 -13.280 2.927 1.00 0.00 O ATOM 0 H SER A 3 -38.942 -12.423 5.376 1.00 0.00 H new ATOM 0 HA SER A 3 -36.601 -14.218 5.558 1.00 0.00 H new ATOM 0 HB2 SER A 3 -37.066 -14.761 3.243 1.00 0.00 H new ATOM 0 HB3 SER A 3 -38.556 -14.933 4.150 1.00 0.00 H new ATOM 0 HG SER A 3 -38.861 -13.760 2.173 1.00 0.00 H new ATOM 45 N ASP A 4 -34.951 -12.579 4.736 1.00 0.00 N ATOM 46 CA ASP A 4 -33.951 -11.603 4.318 1.00 0.00 C ATOM 47 C ASP A 4 -32.942 -12.233 3.363 1.00 0.00 C ATOM 48 O ASP A 4 -32.072 -12.999 3.780 1.00 0.00 O ATOM 49 CB ASP A 4 -33.227 -11.029 5.537 1.00 0.00 C ATOM 50 CG ASP A 4 -34.105 -10.092 6.344 1.00 0.00 C ATOM 51 OD1 ASP A 4 -34.493 -9.033 5.808 1.00 0.00 O ATOM 52 OD2 ASP A 4 -34.404 -10.417 7.512 1.00 0.00 O ATOM 0 H ASP A 4 -34.571 -13.392 5.221 1.00 0.00 H new ATOM 0 HA ASP A 4 -34.464 -10.796 3.795 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -32.891 -11.847 6.175 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -32.336 -10.494 5.208 1.00 0.00 H new ATOM 57 N SER A 5 -33.063 -11.904 2.081 1.00 0.00 N ATOM 58 CA SER A 5 -32.162 -12.438 1.066 1.00 0.00 C ATOM 59 C SER A 5 -30.788 -11.781 1.160 1.00 0.00 C ATOM 60 O SER A 5 -29.821 -12.401 1.602 1.00 0.00 O ATOM 61 CB SER A 5 -32.748 -12.223 -0.331 1.00 0.00 C ATOM 62 OG SER A 5 -33.515 -13.343 -0.740 1.00 0.00 O ATOM 0 H SER A 5 -33.776 -11.270 1.720 1.00 0.00 H new ATOM 0 HA SER A 5 -32.048 -13.507 1.243 1.00 0.00 H new ATOM 0 HB2 SER A 5 -33.373 -11.330 -0.333 1.00 0.00 H new ATOM 0 HB3 SER A 5 -31.942 -12.050 -1.044 1.00 0.00 H new ATOM 0 HG SER A 5 -33.880 -13.180 -1.635 1.00 0.00 H new ATOM 68 N LYS A 6 -30.709 -10.522 0.740 1.00 0.00 N ATOM 69 CA LYS A 6 -29.454 -9.780 0.776 1.00 0.00 C ATOM 70 C LYS A 6 -28.413 -10.424 -0.134 1.00 0.00 C ATOM 71 O LYS A 6 -28.360 -11.647 -0.266 1.00 0.00 O ATOM 72 CB LYS A 6 -28.922 -9.706 2.210 1.00 0.00 C ATOM 73 CG LYS A 6 -29.166 -8.363 2.881 1.00 0.00 C ATOM 74 CD LYS A 6 -28.321 -7.266 2.254 1.00 0.00 C ATOM 75 CE LYS A 6 -27.863 -6.254 3.290 1.00 0.00 C ATOM 76 NZ LYS A 6 -28.780 -5.084 3.366 1.00 0.00 N ATOM 0 H LYS A 6 -31.500 -9.994 0.371 1.00 0.00 H new ATOM 0 HA LYS A 6 -29.648 -8.770 0.415 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -29.392 -10.490 2.804 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -27.851 -9.910 2.202 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -30.221 -8.102 2.801 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -28.936 -8.439 3.944 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -27.452 -7.708 1.767 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -28.897 -6.760 1.479 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -27.806 -6.735 4.267 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -26.858 -5.912 3.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -28.433 -4.417 4.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -28.815 -4.610 2.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -29.734 -5.407 3.626 1.00 0.00 H new ATOM 90 N LYS A 7 -27.588 -9.591 -0.763 1.00 0.00 N ATOM 91 CA LYS A 7 -26.547 -10.080 -1.662 1.00 0.00 C ATOM 92 C LYS A 7 -25.371 -9.104 -1.712 1.00 0.00 C ATOM 93 O LYS A 7 -25.565 -7.898 -1.863 1.00 0.00 O ATOM 94 CB LYS A 7 -27.119 -10.286 -3.068 1.00 0.00 C ATOM 95 CG LYS A 7 -26.808 -11.654 -3.655 1.00 0.00 C ATOM 96 CD LYS A 7 -26.733 -11.604 -5.172 1.00 0.00 C ATOM 97 CE LYS A 7 -25.569 -10.749 -5.646 1.00 0.00 C ATOM 98 NZ LYS A 7 -24.793 -11.416 -6.727 1.00 0.00 N ATOM 0 H LYS A 7 -27.620 -8.576 -0.667 1.00 0.00 H new ATOM 0 HA LYS A 7 -26.186 -11.035 -1.281 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -28.200 -10.151 -3.035 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -26.721 -9.517 -3.730 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -25.861 -12.016 -3.254 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -27.576 -12.365 -3.351 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -26.627 -12.615 -5.565 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -27.665 -11.204 -5.570 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -25.945 -9.792 -6.007 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -24.910 -10.535 -4.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -24.118 -10.740 -7.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -24.274 -12.226 -6.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -25.444 -11.749 -7.467 1.00 0.00 H new ATOM 112 N PRO A 8 -24.131 -9.612 -1.584 1.00 0.00 N ATOM 113 CA PRO A 8 -22.929 -8.772 -1.615 1.00 0.00 C ATOM 114 C PRO A 8 -22.624 -8.242 -3.014 1.00 0.00 C ATOM 115 O PRO A 8 -22.154 -7.116 -3.169 1.00 0.00 O ATOM 116 CB PRO A 8 -21.823 -9.719 -1.150 1.00 0.00 C ATOM 117 CG PRO A 8 -22.303 -11.074 -1.534 1.00 0.00 C ATOM 118 CD PRO A 8 -23.801 -11.039 -1.398 1.00 0.00 C ATOM 0 HA PRO A 8 -23.038 -7.883 -0.994 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -20.873 -9.484 -1.630 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -21.664 -9.645 -0.074 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -22.010 -11.317 -2.555 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -21.871 -11.838 -0.888 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -24.287 -11.664 -2.147 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -24.124 -11.402 -0.422 1.00 0.00 H new ATOM 126 N THR A 9 -22.893 -9.066 -4.026 1.00 0.00 N ATOM 127 CA THR A 9 -22.649 -8.690 -5.419 1.00 0.00 C ATOM 128 C THR A 9 -21.287 -8.016 -5.583 1.00 0.00 C ATOM 129 O THR A 9 -21.172 -6.963 -6.210 1.00 0.00 O ATOM 130 CB THR A 9 -23.759 -7.763 -5.924 1.00 0.00 C ATOM 131 OG1 THR A 9 -23.576 -7.464 -7.296 1.00 0.00 O ATOM 132 CG2 THR A 9 -23.834 -6.450 -5.175 1.00 0.00 C ATOM 0 H THR A 9 -23.281 -10.002 -3.907 1.00 0.00 H new ATOM 0 HA THR A 9 -22.649 -9.603 -6.015 1.00 0.00 H new ATOM 0 HB THR A 9 -24.687 -8.310 -5.757 1.00 0.00 H new ATOM 0 HG1 THR A 9 -22.741 -6.964 -7.413 1.00 0.00 H new ATOM 0 HG21 THR A 9 -24.641 -5.843 -5.585 1.00 0.00 H new ATOM 0 HG22 THR A 9 -24.025 -6.644 -4.119 1.00 0.00 H new ATOM 0 HG23 THR A 9 -22.889 -5.916 -5.281 1.00 0.00 H new ATOM 140 N ILE A 10 -20.257 -8.634 -5.014 1.00 0.00 N ATOM 141 CA ILE A 10 -18.903 -8.100 -5.090 1.00 0.00 C ATOM 142 C ILE A 10 -17.879 -9.226 -5.189 1.00 0.00 C ATOM 143 O ILE A 10 -17.501 -9.825 -4.182 1.00 0.00 O ATOM 144 CB ILE A 10 -18.586 -7.217 -3.863 1.00 0.00 C ATOM 145 CG1 ILE A 10 -19.394 -5.916 -3.921 1.00 0.00 C ATOM 146 CG2 ILE A 10 -17.093 -6.918 -3.777 1.00 0.00 C ATOM 147 CD1 ILE A 10 -18.871 -4.920 -4.935 1.00 0.00 C ATOM 0 H ILE A 10 -20.335 -9.508 -4.494 1.00 0.00 H new ATOM 0 HA ILE A 10 -18.843 -7.487 -5.989 1.00 0.00 H new ATOM 0 HB ILE A 10 -18.871 -7.765 -2.965 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -20.431 -6.153 -4.159 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -19.391 -5.452 -2.934 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -16.896 -6.295 -2.905 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -16.539 -7.853 -3.688 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -16.775 -6.393 -4.677 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -19.492 -4.025 -4.919 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -17.844 -4.653 -4.687 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -18.900 -5.364 -5.930 1.00 0.00 H new ATOM 159 N ILE A 11 -17.429 -9.500 -6.408 1.00 0.00 N ATOM 160 CA ILE A 11 -16.444 -10.547 -6.634 1.00 0.00 C ATOM 161 C ILE A 11 -15.467 -10.152 -7.735 1.00 0.00 C ATOM 162 O ILE A 11 -15.764 -10.285 -8.922 1.00 0.00 O ATOM 163 CB ILE A 11 -17.121 -11.876 -7.022 1.00 0.00 C ATOM 164 CG1 ILE A 11 -18.305 -12.161 -6.095 1.00 0.00 C ATOM 165 CG2 ILE A 11 -16.113 -13.016 -6.978 1.00 0.00 C ATOM 166 CD1 ILE A 11 -17.900 -12.491 -4.674 1.00 0.00 C ATOM 0 H ILE A 11 -17.730 -9.012 -7.252 1.00 0.00 H new ATOM 0 HA ILE A 11 -15.901 -10.680 -5.698 1.00 0.00 H new ATOM 0 HB ILE A 11 -17.498 -11.792 -8.041 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -18.963 -11.292 -6.083 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -18.881 -12.992 -6.501 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -16.606 -13.948 -7.254 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -15.303 -12.812 -7.678 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -15.708 -13.105 -5.970 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -18.792 -12.681 -4.076 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -17.267 -13.378 -4.673 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -17.350 -11.652 -4.248 1.00 0.00 H new ATOM 178 N TYR A 12 -14.296 -9.676 -7.330 1.00 0.00 N ATOM 179 CA TYR A 12 -13.263 -9.273 -8.279 1.00 0.00 C ATOM 180 C TYR A 12 -11.876 -9.639 -7.758 1.00 0.00 C ATOM 181 O TYR A 12 -11.231 -8.850 -7.072 1.00 0.00 O ATOM 182 CB TYR A 12 -13.334 -7.768 -8.560 1.00 0.00 C ATOM 183 CG TYR A 12 -13.848 -6.937 -7.402 1.00 0.00 C ATOM 184 CD1 TYR A 12 -13.063 -6.708 -6.278 1.00 0.00 C ATOM 185 CD2 TYR A 12 -15.118 -6.374 -7.442 1.00 0.00 C ATOM 186 CE1 TYR A 12 -13.530 -5.943 -5.225 1.00 0.00 C ATOM 187 CE2 TYR A 12 -15.591 -5.609 -6.391 1.00 0.00 C ATOM 188 CZ TYR A 12 -14.794 -5.397 -5.288 1.00 0.00 C ATOM 189 OH TYR A 12 -15.262 -4.634 -4.242 1.00 0.00 O ATOM 0 H TYR A 12 -14.037 -9.559 -6.350 1.00 0.00 H new ATOM 0 HA TYR A 12 -13.441 -9.810 -9.211 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -12.339 -7.414 -8.831 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -13.978 -7.602 -9.424 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -12.072 -7.135 -6.226 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -15.745 -6.536 -8.306 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -12.908 -5.774 -4.358 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -16.581 -5.180 -6.435 1.00 0.00 H new ATOM 0 HH TYR A 12 -15.618 -3.789 -4.587 1.00 0.00 H new ATOM 199 N PRO A 13 -11.396 -10.852 -8.077 1.00 0.00 N ATOM 200 CA PRO A 13 -10.087 -11.321 -7.637 1.00 0.00 C ATOM 201 C PRO A 13 -8.970 -10.907 -8.591 1.00 0.00 C ATOM 202 O PRO A 13 -8.371 -11.745 -9.264 1.00 0.00 O ATOM 203 CB PRO A 13 -10.269 -12.831 -7.636 1.00 0.00 C ATOM 204 CG PRO A 13 -11.201 -13.091 -8.772 1.00 0.00 C ATOM 205 CD PRO A 13 -12.091 -11.873 -8.886 1.00 0.00 C ATOM 0 HA PRO A 13 -9.790 -10.905 -6.674 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.319 -13.346 -7.775 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.686 -13.181 -6.692 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -10.648 -13.255 -9.697 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -11.793 -13.988 -8.590 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -12.202 -11.554 -9.922 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -13.092 -12.072 -8.504 1.00 0.00 H new ATOM 213 N CYS A 14 -8.694 -9.608 -8.640 1.00 0.00 N ATOM 214 CA CYS A 14 -7.648 -9.082 -9.509 1.00 0.00 C ATOM 215 C CYS A 14 -6.877 -7.961 -8.819 1.00 0.00 C ATOM 216 O CYS A 14 -7.348 -7.384 -7.838 1.00 0.00 O ATOM 217 CB CYS A 14 -8.252 -8.571 -10.817 1.00 0.00 C ATOM 218 SG CYS A 14 -8.320 -9.809 -12.132 1.00 0.00 S ATOM 0 H CYS A 14 -9.180 -8.901 -8.089 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.953 -9.893 -9.729 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.261 -8.209 -10.621 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.669 -7.718 -11.165 1.00 0.00 H new ATOM 0 HG CYS A 14 -8.848 -9.282 -13.197 1.00 0.00 H new ATOM 224 N LEU A 15 -5.690 -7.657 -9.337 1.00 0.00 N ATOM 225 CA LEU A 15 -4.856 -6.606 -8.771 1.00 0.00 C ATOM 226 C LEU A 15 -5.443 -5.228 -9.060 1.00 0.00 C ATOM 227 O LEU A 15 -5.558 -4.821 -10.216 1.00 0.00 O ATOM 228 CB LEU A 15 -3.434 -6.696 -9.333 1.00 0.00 C ATOM 229 CG LEU A 15 -2.406 -7.327 -8.393 1.00 0.00 C ATOM 230 CD1 LEU A 15 -1.296 -7.995 -9.188 1.00 0.00 C ATOM 231 CD2 LEU A 15 -1.834 -6.276 -7.453 1.00 0.00 C ATOM 0 H LEU A 15 -5.286 -8.125 -10.148 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.823 -6.746 -7.691 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.461 -7.273 -10.258 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.098 -5.692 -9.593 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.905 -8.090 -7.795 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.574 -8.438 -8.503 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.720 -8.774 -9.822 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.797 -7.252 -9.811 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.104 -6.740 -6.790 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.349 -5.492 -8.035 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.639 -5.842 -6.860 1.00 0.00 H new ATOM 243 N TRP A 16 -5.814 -4.515 -8.003 1.00 0.00 N ATOM 244 CA TRP A 16 -6.390 -3.181 -8.144 1.00 0.00 C ATOM 245 C TRP A 16 -5.465 -2.122 -7.553 1.00 0.00 C ATOM 246 O TRP A 16 -4.880 -2.316 -6.488 1.00 0.00 O ATOM 247 CB TRP A 16 -7.757 -3.121 -7.459 1.00 0.00 C ATOM 248 CG TRP A 16 -8.607 -1.984 -7.934 1.00 0.00 C ATOM 249 CD1 TRP A 16 -8.960 -0.871 -7.225 1.00 0.00 C ATOM 250 CD2 TRP A 16 -9.216 -1.848 -9.224 1.00 0.00 C ATOM 251 NE1 TRP A 16 -9.749 -0.051 -7.995 1.00 0.00 N ATOM 252 CE2 TRP A 16 -9.920 -0.629 -9.226 1.00 0.00 C ATOM 253 CE3 TRP A 16 -9.232 -2.637 -10.377 1.00 0.00 C ATOM 254 CZ2 TRP A 16 -10.632 -0.183 -10.336 1.00 0.00 C ATOM 255 CZ3 TRP A 16 -9.939 -2.194 -11.478 1.00 0.00 C ATOM 256 CH2 TRP A 16 -10.631 -0.977 -11.451 1.00 0.00 C ATOM 0 H TRP A 16 -5.727 -4.837 -7.039 1.00 0.00 H new ATOM 0 HA TRP A 16 -6.513 -2.975 -9.207 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -8.285 -4.058 -7.634 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -7.613 -3.033 -6.382 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -8.662 -0.666 -6.207 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -10.143 0.842 -7.699 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -8.701 -3.577 -10.407 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -11.166 0.756 -10.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -9.958 -2.796 -12.374 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -11.175 -0.658 -12.328 1.00 0.00 H new ATOM 267 N ASP A 17 -5.341 -0.998 -8.253 1.00 0.00 N ATOM 268 CA ASP A 17 -4.490 0.097 -7.798 1.00 0.00 C ATOM 269 C ASP A 17 -5.265 1.039 -6.885 1.00 0.00 C ATOM 270 O ASP A 17 -6.493 1.114 -6.953 1.00 0.00 O ATOM 271 CB ASP A 17 -3.933 0.869 -8.996 1.00 0.00 C ATOM 272 CG ASP A 17 -2.977 0.036 -9.827 1.00 0.00 C ATOM 273 OD1 ASP A 17 -3.405 -1.017 -10.344 1.00 0.00 O ATOM 274 OD2 ASP A 17 -1.803 0.438 -9.961 1.00 0.00 O ATOM 0 H ASP A 17 -5.819 -0.822 -9.137 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.660 -0.328 -7.233 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.758 1.204 -9.624 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.418 1.762 -8.642 1.00 0.00 H new ATOM 279 N TYR A 18 -4.544 1.759 -6.028 1.00 0.00 N ATOM 280 CA TYR A 18 -5.174 2.694 -5.104 1.00 0.00 C ATOM 281 C TYR A 18 -4.372 3.987 -4.999 1.00 0.00 C ATOM 282 O TYR A 18 -3.353 4.043 -4.310 1.00 0.00 O ATOM 283 CB TYR A 18 -5.317 2.057 -3.720 1.00 0.00 C ATOM 284 CG TYR A 18 -6.256 0.871 -3.693 1.00 0.00 C ATOM 285 CD1 TYR A 18 -7.628 1.046 -3.819 1.00 0.00 C ATOM 286 CD2 TYR A 18 -5.769 -0.421 -3.540 1.00 0.00 C ATOM 287 CE1 TYR A 18 -8.490 -0.034 -3.793 1.00 0.00 C ATOM 288 CE2 TYR A 18 -6.625 -1.507 -3.514 1.00 0.00 C ATOM 289 CZ TYR A 18 -7.984 -1.307 -3.641 1.00 0.00 C ATOM 290 OH TYR A 18 -8.839 -2.385 -3.616 1.00 0.00 O ATOM 0 H TYR A 18 -3.528 1.712 -5.956 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.164 2.934 -5.492 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.334 1.739 -3.372 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.676 2.810 -3.018 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -8.028 2.042 -3.939 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.705 -0.580 -3.440 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -9.555 0.119 -3.891 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -6.232 -2.506 -3.395 1.00 0.00 H new ATOM 0 HH TYR A 18 -8.538 -3.026 -2.939 1.00 0.00 H new ATOM 300 N ARG A 19 -4.840 5.026 -5.685 1.00 0.00 N ATOM 301 CA ARG A 19 -4.169 6.321 -5.663 1.00 0.00 C ATOM 302 C ARG A 19 -4.320 6.980 -4.295 1.00 0.00 C ATOM 303 O ARG A 19 -5.398 7.459 -3.944 1.00 0.00 O ATOM 304 CB ARG A 19 -4.738 7.231 -6.755 1.00 0.00 C ATOM 305 CG ARG A 19 -3.711 7.644 -7.797 1.00 0.00 C ATOM 306 CD ARG A 19 -3.180 9.044 -7.532 1.00 0.00 C ATOM 307 NE ARG A 19 -4.233 10.054 -7.612 1.00 0.00 N ATOM 308 CZ ARG A 19 -4.002 11.354 -7.780 1.00 0.00 C ATOM 309 NH1 ARG A 19 -2.759 11.807 -7.887 1.00 0.00 N ATOM 310 NH2 ARG A 19 -5.017 12.204 -7.843 1.00 0.00 N ATOM 0 H ARG A 19 -5.680 4.996 -6.262 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.108 6.163 -5.855 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.562 6.718 -7.252 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.153 8.126 -6.291 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.884 6.934 -7.796 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.162 7.606 -8.789 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.721 9.076 -6.544 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.398 9.278 -8.254 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.202 9.745 -7.535 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.974 11.158 -7.841 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.589 12.804 -8.016 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.975 11.862 -7.763 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.841 13.200 -7.972 1.00 0.00 H new ATOM 324 N VAL A 20 -3.238 6.992 -3.525 1.00 0.00 N ATOM 325 CA VAL A 20 -3.257 7.586 -2.192 1.00 0.00 C ATOM 326 C VAL A 20 -2.212 8.686 -2.056 1.00 0.00 C ATOM 327 O VAL A 20 -1.029 8.469 -2.321 1.00 0.00 O ATOM 328 CB VAL A 20 -3.000 6.525 -1.107 1.00 0.00 C ATOM 329 CG1 VAL A 20 -3.246 7.105 0.277 1.00 0.00 C ATOM 330 CG2 VAL A 20 -3.868 5.298 -1.340 1.00 0.00 C ATOM 0 H VAL A 20 -2.338 6.598 -3.799 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.250 8.015 -2.055 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.956 6.218 -1.167 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.059 6.340 1.031 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.576 7.949 0.442 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.280 7.443 0.351 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.671 4.560 -0.562 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.919 5.585 -1.310 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.637 4.868 -2.315 1.00 0.00 H new ATOM 340 N ILE A 21 -2.654 9.870 -1.637 1.00 0.00 N ATOM 341 CA ILE A 21 -1.751 11.002 -1.459 1.00 0.00 C ATOM 342 C ILE A 21 -1.664 11.400 0.011 1.00 0.00 C ATOM 343 O ILE A 21 -2.661 11.365 0.731 1.00 0.00 O ATOM 344 CB ILE A 21 -2.191 12.236 -2.278 1.00 0.00 C ATOM 345 CG1 ILE A 21 -2.830 11.838 -3.619 1.00 0.00 C ATOM 346 CG2 ILE A 21 -1.006 13.160 -2.510 1.00 0.00 C ATOM 347 CD1 ILE A 21 -2.200 10.634 -4.293 1.00 0.00 C ATOM 0 H ILE A 21 -3.630 10.069 -1.415 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.775 10.675 -1.818 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.950 12.762 -1.699 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.888 11.632 -3.454 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.773 12.688 -4.299 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.328 14.026 -3.088 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.610 13.491 -1.550 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.230 12.626 -3.058 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.717 10.430 -5.231 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.149 10.839 -4.496 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.281 9.767 -3.638 1.00 0.00 H new ATOM 359 N MET A 22 -0.469 11.783 0.450 1.00 0.00 N ATOM 360 CA MET A 22 -0.262 12.188 1.832 1.00 0.00 C ATOM 361 C MET A 22 0.197 13.638 1.900 1.00 0.00 C ATOM 362 O MET A 22 0.963 14.099 1.054 1.00 0.00 O ATOM 363 CB MET A 22 0.771 11.283 2.505 1.00 0.00 C ATOM 364 CG MET A 22 0.836 9.876 1.928 1.00 0.00 C ATOM 365 SD MET A 22 1.978 8.808 2.829 1.00 0.00 S ATOM 366 CE MET A 22 2.113 7.427 1.698 1.00 0.00 C ATOM 0 H MET A 22 0.368 11.821 -0.132 1.00 0.00 H new ATOM 0 HA MET A 22 -1.211 12.094 2.361 1.00 0.00 H new ATOM 0 HB2 MET A 22 1.754 11.745 2.418 1.00 0.00 H new ATOM 0 HB3 MET A 22 0.542 11.217 3.569 1.00 0.00 H new ATOM 0 HG2 MET A 22 -0.160 9.434 1.946 1.00 0.00 H new ATOM 0 HG3 MET A 22 1.142 9.930 0.883 1.00 0.00 H new ATOM 0 HE1 MET A 22 1.512 6.595 2.066 1.00 0.00 H new ATOM 0 HE2 MET A 22 1.754 7.727 0.713 1.00 0.00 H new ATOM 0 HE3 MET A 22 3.155 7.117 1.625 1.00 0.00 H new ATOM 376 N THR A 23 -0.275 14.352 2.914 1.00 0.00 N ATOM 377 CA THR A 23 0.088 15.753 3.093 1.00 0.00 C ATOM 378 C THR A 23 0.733 15.974 4.457 1.00 0.00 C ATOM 379 O THR A 23 0.148 16.601 5.340 1.00 0.00 O ATOM 380 CB THR A 23 -1.147 16.646 2.937 1.00 0.00 C ATOM 381 OG1 THR A 23 -1.944 16.625 4.111 1.00 0.00 O ATOM 382 CG2 THR A 23 -2.033 16.244 1.777 1.00 0.00 C ATOM 0 H THR A 23 -0.909 13.985 3.624 1.00 0.00 H new ATOM 0 HA THR A 23 0.813 16.020 2.324 1.00 0.00 H new ATOM 0 HB THR A 23 -0.753 17.645 2.749 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.452 17.043 4.848 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.889 16.917 1.723 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.466 16.303 0.848 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.383 15.222 1.924 1.00 0.00 H new ATOM 390 N THR A 24 1.942 15.451 4.623 1.00 0.00 N ATOM 391 CA THR A 24 2.664 15.590 5.882 1.00 0.00 C ATOM 392 C THR A 24 4.164 15.726 5.644 1.00 0.00 C ATOM 393 O THR A 24 4.690 15.258 4.635 1.00 0.00 O ATOM 394 CB THR A 24 2.384 14.390 6.789 1.00 0.00 C ATOM 395 OG1 THR A 24 1.200 13.726 6.390 1.00 0.00 O ATOM 396 CG2 THR A 24 2.233 14.763 8.247 1.00 0.00 C ATOM 0 H THR A 24 2.442 14.928 3.904 1.00 0.00 H new ATOM 0 HA THR A 24 2.313 16.498 6.372 1.00 0.00 H new ATOM 0 HB THR A 24 3.254 13.742 6.686 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.392 13.147 5.623 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.036 13.866 8.834 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.151 15.233 8.599 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.403 15.460 8.360 1.00 0.00 H new ATOM 404 N LYS A 25 4.849 16.370 6.586 1.00 0.00 N ATOM 405 CA LYS A 25 6.291 16.566 6.485 1.00 0.00 C ATOM 406 C LYS A 25 7.042 15.522 7.305 1.00 0.00 C ATOM 407 O LYS A 25 8.157 15.765 7.767 1.00 0.00 O ATOM 408 CB LYS A 25 6.669 17.971 6.958 1.00 0.00 C ATOM 409 CG LYS A 25 6.186 18.291 8.363 1.00 0.00 C ATOM 410 CD LYS A 25 4.939 19.160 8.340 1.00 0.00 C ATOM 411 CE LYS A 25 4.236 19.164 9.688 1.00 0.00 C ATOM 412 NZ LYS A 25 5.170 19.489 10.800 1.00 0.00 N ATOM 0 H LYS A 25 4.428 16.764 7.427 1.00 0.00 H new ATOM 0 HA LYS A 25 6.575 16.452 5.439 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.753 18.078 6.923 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.254 18.703 6.265 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.975 17.364 8.896 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.976 18.802 8.913 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.210 20.180 8.067 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.255 18.796 7.573 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.424 19.891 9.672 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.786 18.187 9.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.627 19.665 11.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.819 18.691 10.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.718 20.339 10.556 1.00 0.00 H new ATOM 426 N ASP A 26 6.423 14.359 7.483 1.00 0.00 N ATOM 427 CA ASP A 26 7.033 13.276 8.246 1.00 0.00 C ATOM 428 C ASP A 26 6.460 11.928 7.824 1.00 0.00 C ATOM 429 O ASP A 26 6.242 11.044 8.653 1.00 0.00 O ATOM 430 CB ASP A 26 6.811 13.490 9.745 1.00 0.00 C ATOM 431 CG ASP A 26 7.961 12.965 10.581 1.00 0.00 C ATOM 432 OD1 ASP A 26 9.005 13.648 10.651 1.00 0.00 O ATOM 433 OD2 ASP A 26 7.818 11.871 11.166 1.00 0.00 O ATOM 0 H ASP A 26 5.499 14.143 7.109 1.00 0.00 H new ATOM 0 HA ASP A 26 8.104 13.278 8.041 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.679 14.554 9.942 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.889 12.993 10.047 1.00 0.00 H new ATOM 438 N THR A 27 6.217 11.779 6.526 1.00 0.00 N ATOM 439 CA THR A 27 5.667 10.540 5.986 1.00 0.00 C ATOM 440 C THR A 27 6.731 9.445 5.906 1.00 0.00 C ATOM 441 O THR A 27 6.427 8.302 5.561 1.00 0.00 O ATOM 442 CB THR A 27 5.071 10.788 4.599 1.00 0.00 C ATOM 443 OG1 THR A 27 6.079 11.180 3.684 1.00 0.00 O ATOM 444 CG2 THR A 27 4.001 11.858 4.591 1.00 0.00 C ATOM 0 H THR A 27 6.392 12.501 5.828 1.00 0.00 H new ATOM 0 HA THR A 27 4.882 10.201 6.662 1.00 0.00 H new ATOM 0 HB THR A 27 4.617 9.842 4.305 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.679 11.332 2.802 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.620 11.984 3.577 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.185 11.562 5.251 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.426 12.800 4.939 1.00 0.00 H new ATOM 452 N SER A 28 7.978 9.793 6.223 1.00 0.00 N ATOM 453 CA SER A 28 9.075 8.832 6.183 1.00 0.00 C ATOM 454 C SER A 28 8.714 7.556 6.938 1.00 0.00 C ATOM 455 O SER A 28 9.171 6.468 6.589 1.00 0.00 O ATOM 456 CB SER A 28 10.343 9.449 6.776 1.00 0.00 C ATOM 457 OG SER A 28 11.133 10.057 5.771 1.00 0.00 O ATOM 0 H SER A 28 8.251 10.733 6.510 1.00 0.00 H new ATOM 0 HA SER A 28 9.258 8.573 5.140 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.073 10.190 7.528 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.924 8.678 7.282 1.00 0.00 H new ATOM 0 HG SER A 28 11.936 10.445 6.177 1.00 0.00 H new ATOM 463 N THR A 29 7.892 7.698 7.973 1.00 0.00 N ATOM 464 CA THR A 29 7.468 6.556 8.774 1.00 0.00 C ATOM 465 C THR A 29 6.567 5.632 7.963 1.00 0.00 C ATOM 466 O THR A 29 6.728 4.411 7.989 1.00 0.00 O ATOM 467 CB THR A 29 6.734 7.033 10.030 1.00 0.00 C ATOM 468 OG1 THR A 29 6.369 5.934 10.844 1.00 0.00 O ATOM 469 CG2 THR A 29 5.476 7.816 9.725 1.00 0.00 C ATOM 0 H THR A 29 7.507 8.592 8.276 1.00 0.00 H new ATOM 0 HA THR A 29 8.357 5.999 9.072 1.00 0.00 H new ATOM 0 HB THR A 29 7.436 7.689 10.544 1.00 0.00 H new ATOM 0 HG1 THR A 29 5.903 6.259 11.642 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.004 8.124 10.658 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.730 8.698 9.138 1.00 0.00 H new ATOM 0 HG23 THR A 29 4.786 7.190 9.159 1.00 0.00 H new ATOM 477 N LEU A 30 5.620 6.222 7.243 1.00 0.00 N ATOM 478 CA LEU A 30 4.694 5.452 6.419 1.00 0.00 C ATOM 479 C LEU A 30 5.373 4.994 5.133 1.00 0.00 C ATOM 480 O LEU A 30 5.070 3.922 4.609 1.00 0.00 O ATOM 481 CB LEU A 30 3.453 6.290 6.097 1.00 0.00 C ATOM 482 CG LEU A 30 2.538 5.721 5.007 1.00 0.00 C ATOM 483 CD1 LEU A 30 2.231 4.253 5.270 1.00 0.00 C ATOM 484 CD2 LEU A 30 1.251 6.529 4.919 1.00 0.00 C ATOM 0 H LEU A 30 5.473 7.231 7.213 1.00 0.00 H new ATOM 0 HA LEU A 30 4.386 4.568 6.977 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.870 6.410 7.010 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.777 7.285 5.792 1.00 0.00 H new ATOM 0 HG LEU A 30 3.058 5.793 4.052 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.580 3.871 4.484 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.160 3.683 5.281 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.733 4.153 6.234 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.612 6.112 4.140 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.730 6.489 5.876 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.488 7.565 4.678 1.00 0.00 H new ATOM 496 N LYS A 31 6.294 5.810 4.634 1.00 0.00 N ATOM 497 CA LYS A 31 7.018 5.486 3.410 1.00 0.00 C ATOM 498 C LYS A 31 7.984 4.325 3.635 1.00 0.00 C ATOM 499 O LYS A 31 8.389 3.654 2.686 1.00 0.00 O ATOM 500 CB LYS A 31 7.785 6.713 2.910 1.00 0.00 C ATOM 501 CG LYS A 31 6.886 7.855 2.468 1.00 0.00 C ATOM 502 CD LYS A 31 7.686 8.991 1.847 1.00 0.00 C ATOM 503 CE LYS A 31 7.264 9.251 0.409 1.00 0.00 C ATOM 504 NZ LYS A 31 7.955 10.437 -0.166 1.00 0.00 N ATOM 0 H LYS A 31 6.557 6.700 5.057 1.00 0.00 H new ATOM 0 HA LYS A 31 6.290 5.185 2.656 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.444 7.067 3.703 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.421 6.418 2.075 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.157 7.486 1.747 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.326 8.230 3.324 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.550 9.898 2.437 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.748 8.748 1.877 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.484 8.373 -0.198 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.186 9.404 0.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.203 10.247 -1.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.325 11.263 -0.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.821 10.631 0.377 1.00 0.00 H new ATOM 518 N GLU A 32 8.353 4.095 4.893 1.00 0.00 N ATOM 519 CA GLU A 32 9.274 3.016 5.233 1.00 0.00 C ATOM 520 C GLU A 32 8.526 1.719 5.526 1.00 0.00 C ATOM 521 O GLU A 32 9.061 0.629 5.330 1.00 0.00 O ATOM 522 CB GLU A 32 10.128 3.410 6.441 1.00 0.00 C ATOM 523 CG GLU A 32 9.331 3.581 7.724 1.00 0.00 C ATOM 524 CD GLU A 32 10.163 3.331 8.965 1.00 0.00 C ATOM 525 OE1 GLU A 32 11.405 3.432 8.878 1.00 0.00 O ATOM 526 OE2 GLU A 32 9.575 3.032 10.026 1.00 0.00 O ATOM 0 H GLU A 32 8.029 4.641 5.691 1.00 0.00 H new ATOM 0 HA GLU A 32 9.922 2.847 4.373 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.893 2.649 6.598 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.647 4.343 6.219 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.923 4.591 7.762 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.484 2.895 7.715 1.00 0.00 H new ATOM 533 N LEU A 33 7.291 1.841 6.000 1.00 0.00 N ATOM 534 CA LEU A 33 6.482 0.670 6.322 1.00 0.00 C ATOM 535 C LEU A 33 5.746 0.149 5.089 1.00 0.00 C ATOM 536 O LEU A 33 5.423 -1.035 5.004 1.00 0.00 O ATOM 537 CB LEU A 33 5.485 0.994 7.441 1.00 0.00 C ATOM 538 CG LEU A 33 4.269 1.825 7.025 1.00 0.00 C ATOM 539 CD1 LEU A 33 3.204 0.941 6.390 1.00 0.00 C ATOM 540 CD2 LEU A 33 3.701 2.565 8.227 1.00 0.00 C ATOM 0 H LEU A 33 6.829 2.735 6.169 1.00 0.00 H new ATOM 0 HA LEU A 33 7.155 -0.114 6.669 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.132 0.057 7.871 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.014 1.527 8.231 1.00 0.00 H new ATOM 0 HG LEU A 33 4.589 2.557 6.284 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.349 1.552 6.102 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.616 0.453 5.506 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.885 0.184 7.107 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.837 3.152 7.917 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.397 1.845 8.987 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.462 3.228 8.639 1.00 0.00 H new ATOM 552 N LEU A 34 5.486 1.037 4.135 1.00 0.00 N ATOM 553 CA LEU A 34 4.790 0.658 2.911 1.00 0.00 C ATOM 554 C LEU A 34 5.775 0.218 1.829 1.00 0.00 C ATOM 555 O LEU A 34 5.403 -0.476 0.885 1.00 0.00 O ATOM 556 CB LEU A 34 3.934 1.818 2.399 1.00 0.00 C ATOM 557 CG LEU A 34 4.712 3.063 1.963 1.00 0.00 C ATOM 558 CD1 LEU A 34 5.182 2.924 0.520 1.00 0.00 C ATOM 559 CD2 LEU A 34 3.857 4.314 2.132 1.00 0.00 C ATOM 0 H LEU A 34 5.746 2.022 4.186 1.00 0.00 H new ATOM 0 HA LEU A 34 4.140 -0.185 3.146 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.342 1.466 1.554 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.233 2.104 3.183 1.00 0.00 H new ATOM 0 HG LEU A 34 5.591 3.160 2.600 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.733 3.819 0.229 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.831 2.053 0.431 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.318 2.801 -0.134 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.426 5.189 1.817 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.959 4.226 1.521 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.574 4.423 3.179 1.00 0.00 H new ATOM 571 N GLU A 35 7.033 0.629 1.972 1.00 0.00 N ATOM 572 CA GLU A 35 8.065 0.277 1.003 1.00 0.00 C ATOM 573 C GLU A 35 8.731 -1.050 1.361 1.00 0.00 C ATOM 574 O GLU A 35 9.228 -1.761 0.487 1.00 0.00 O ATOM 575 CB GLU A 35 9.119 1.385 0.925 1.00 0.00 C ATOM 576 CG GLU A 35 9.983 1.497 2.171 1.00 0.00 C ATOM 577 CD GLU A 35 11.220 0.622 2.103 1.00 0.00 C ATOM 578 OE1 GLU A 35 12.161 0.982 1.366 1.00 0.00 O ATOM 579 OE2 GLU A 35 11.246 -0.421 2.786 1.00 0.00 O ATOM 0 H GLU A 35 7.361 1.205 2.748 1.00 0.00 H new ATOM 0 HA GLU A 35 7.586 0.167 0.030 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.762 1.203 0.064 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.619 2.338 0.754 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.284 2.536 2.308 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.393 1.219 3.044 1.00 0.00 H new ATOM 586 N THR A 36 8.743 -1.377 2.650 1.00 0.00 N ATOM 587 CA THR A 36 9.352 -2.617 3.122 1.00 0.00 C ATOM 588 C THR A 36 8.780 -3.832 2.395 1.00 0.00 C ATOM 589 O THR A 36 9.426 -4.877 2.316 1.00 0.00 O ATOM 590 CB THR A 36 9.147 -2.769 4.630 1.00 0.00 C ATOM 591 OG1 THR A 36 9.524 -4.065 5.059 1.00 0.00 O ATOM 592 CG2 THR A 36 7.718 -2.539 5.065 1.00 0.00 C ATOM 0 H THR A 36 8.338 -0.800 3.387 1.00 0.00 H new ATOM 0 HA THR A 36 10.419 -2.564 2.907 1.00 0.00 H new ATOM 0 HB THR A 36 9.776 -2.004 5.086 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.387 -4.142 6.026 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.642 -2.662 6.145 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.413 -1.529 4.793 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.067 -3.260 4.571 1.00 0.00 H new ATOM 600 N TYR A 37 7.568 -3.690 1.865 1.00 0.00 N ATOM 601 CA TYR A 37 6.915 -4.780 1.146 1.00 0.00 C ATOM 602 C TYR A 37 6.596 -5.938 2.088 1.00 0.00 C ATOM 603 O TYR A 37 6.793 -7.104 1.747 1.00 0.00 O ATOM 604 CB TYR A 37 7.802 -5.264 -0.006 1.00 0.00 C ATOM 605 CG TYR A 37 7.363 -4.763 -1.365 1.00 0.00 C ATOM 606 CD1 TYR A 37 7.101 -3.415 -1.577 1.00 0.00 C ATOM 607 CD2 TYR A 37 7.213 -5.637 -2.433 1.00 0.00 C ATOM 608 CE1 TYR A 37 6.701 -2.954 -2.818 1.00 0.00 C ATOM 609 CE2 TYR A 37 6.815 -5.183 -3.676 1.00 0.00 C ATOM 610 CZ TYR A 37 6.558 -3.842 -3.862 1.00 0.00 C ATOM 611 OH TYR A 37 6.162 -3.386 -5.099 1.00 0.00 O ATOM 0 H TYR A 37 7.019 -2.832 1.920 1.00 0.00 H new ATOM 0 HA TYR A 37 5.978 -4.404 0.736 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.827 -4.941 0.176 1.00 0.00 H new ATOM 0 HB3 TYR A 37 7.808 -6.354 -0.015 1.00 0.00 H new ATOM 0 HD1 TYR A 37 7.211 -2.717 -0.760 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.411 -6.689 -2.290 1.00 0.00 H new ATOM 0 HE1 TYR A 37 6.502 -1.903 -2.968 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.706 -5.876 -4.497 1.00 0.00 H new ATOM 0 HH TYR A 37 6.338 -4.075 -5.773 1.00 0.00 H new ATOM 621 N GLN A 38 6.099 -5.609 3.278 1.00 0.00 N ATOM 622 CA GLN A 38 5.750 -6.622 4.270 1.00 0.00 C ATOM 623 C GLN A 38 4.788 -7.650 3.684 1.00 0.00 C ATOM 624 O GLN A 38 4.947 -8.854 3.891 1.00 0.00 O ATOM 625 CB GLN A 38 5.125 -5.963 5.502 1.00 0.00 C ATOM 626 CG GLN A 38 6.127 -5.661 6.606 1.00 0.00 C ATOM 627 CD GLN A 38 5.638 -6.096 7.974 1.00 0.00 C ATOM 628 OE1 GLN A 38 5.556 -7.288 8.267 1.00 0.00 O ATOM 629 NE2 GLN A 38 5.307 -5.126 8.819 1.00 0.00 N ATOM 0 H GLN A 38 5.929 -4.649 3.578 1.00 0.00 H new ATOM 0 HA GLN A 38 6.664 -7.136 4.566 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.639 -5.035 5.200 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.347 -6.616 5.898 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.068 -6.164 6.384 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.333 -4.591 6.622 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.391 -4.150 8.534 1.00 0.00 H new ATOM 0 HE22 GLN A 38 4.969 -5.357 9.753 1.00 0.00 H new ATOM 638 N ARG A 39 3.791 -7.168 2.950 1.00 0.00 N ATOM 639 CA ARG A 39 2.801 -8.043 2.329 1.00 0.00 C ATOM 640 C ARG A 39 2.960 -8.041 0.810 1.00 0.00 C ATOM 641 O ARG A 39 3.710 -7.235 0.259 1.00 0.00 O ATOM 642 CB ARG A 39 1.376 -7.616 2.712 1.00 0.00 C ATOM 643 CG ARG A 39 1.290 -6.258 3.393 1.00 0.00 C ATOM 644 CD ARG A 39 -0.148 -5.779 3.504 1.00 0.00 C ATOM 645 NE ARG A 39 -0.772 -6.208 4.755 1.00 0.00 N ATOM 646 CZ ARG A 39 -0.576 -5.607 5.926 1.00 0.00 C ATOM 647 NH1 ARG A 39 0.225 -4.552 6.012 1.00 0.00 N ATOM 648 NH2 ARG A 39 -1.185 -6.060 7.013 1.00 0.00 N ATOM 0 H ARG A 39 3.646 -6.175 2.770 1.00 0.00 H new ATOM 0 HA ARG A 39 2.969 -9.055 2.697 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.761 -7.598 1.812 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.949 -8.369 3.375 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.731 -6.320 4.388 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.874 -5.530 2.830 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.174 -4.691 3.440 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.724 -6.162 2.661 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.394 -7.016 4.728 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.694 -4.198 5.178 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.372 -4.095 6.912 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.803 -6.869 6.951 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.035 -5.600 7.911 1.00 0.00 H new ATOM 662 N PRO A 40 2.258 -8.948 0.109 1.00 0.00 N ATOM 663 CA PRO A 40 2.334 -9.043 -1.352 1.00 0.00 C ATOM 664 C PRO A 40 1.624 -7.885 -2.048 1.00 0.00 C ATOM 665 O PRO A 40 0.667 -8.088 -2.794 1.00 0.00 O ATOM 666 CB PRO A 40 1.630 -10.365 -1.658 1.00 0.00 C ATOM 667 CG PRO A 40 0.681 -10.557 -0.527 1.00 0.00 C ATOM 668 CD PRO A 40 1.344 -9.955 0.682 1.00 0.00 C ATOM 0 HA PRO A 40 3.363 -9.000 -1.710 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.105 -10.323 -2.613 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.342 -11.188 -1.722 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.272 -10.070 -0.731 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.471 -11.615 -0.370 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.616 -9.500 1.354 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.885 -10.706 1.259 1.00 0.00 H new ATOM 676 N PHE A 41 2.104 -6.667 -1.801 1.00 0.00 N ATOM 677 CA PHE A 41 1.516 -5.479 -2.409 1.00 0.00 C ATOM 678 C PHE A 41 2.601 -4.566 -2.975 1.00 0.00 C ATOM 679 O PHE A 41 3.704 -4.489 -2.436 1.00 0.00 O ATOM 680 CB PHE A 41 0.661 -4.720 -1.387 1.00 0.00 C ATOM 681 CG PHE A 41 1.459 -3.911 -0.400 1.00 0.00 C ATOM 682 CD1 PHE A 41 2.233 -4.537 0.563 1.00 0.00 C ATOM 683 CD2 PHE A 41 1.433 -2.526 -0.440 1.00 0.00 C ATOM 684 CE1 PHE A 41 2.966 -3.796 1.470 1.00 0.00 C ATOM 685 CE2 PHE A 41 2.164 -1.780 0.464 1.00 0.00 C ATOM 686 CZ PHE A 41 2.933 -2.415 1.421 1.00 0.00 C ATOM 0 H PHE A 41 2.896 -6.479 -1.186 1.00 0.00 H new ATOM 0 HA PHE A 41 0.875 -5.800 -3.230 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.019 -4.055 -1.920 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.045 -5.435 -0.841 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.264 -5.616 0.605 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.835 -2.024 -1.186 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.565 -4.296 2.217 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.135 -0.701 0.423 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.506 -1.834 2.128 1.00 0.00 H new ATOM 696 N LYS A 42 2.279 -3.877 -4.065 1.00 0.00 N ATOM 697 CA LYS A 42 3.227 -2.970 -4.703 1.00 0.00 C ATOM 698 C LYS A 42 2.727 -1.529 -4.644 1.00 0.00 C ATOM 699 O LYS A 42 1.577 -1.276 -4.286 1.00 0.00 O ATOM 700 CB LYS A 42 3.460 -3.381 -6.159 1.00 0.00 C ATOM 701 CG LYS A 42 3.645 -4.877 -6.347 1.00 0.00 C ATOM 702 CD LYS A 42 4.119 -5.209 -7.753 1.00 0.00 C ATOM 703 CE LYS A 42 4.342 -6.700 -7.928 1.00 0.00 C ATOM 704 NZ LYS A 42 5.534 -7.178 -7.175 1.00 0.00 N ATOM 0 H LYS A 42 1.370 -3.929 -4.525 1.00 0.00 H new ATOM 0 HA LYS A 42 4.170 -3.032 -4.160 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.614 -3.050 -6.761 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.342 -2.864 -6.537 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.368 -5.249 -5.621 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.703 -5.389 -6.149 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.382 -4.863 -8.478 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.046 -4.675 -7.961 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.458 -7.241 -7.589 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.468 -6.926 -8.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.730 -8.168 -7.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.356 -6.589 -7.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.349 -7.111 -6.154 1.00 0.00 H new ATOM 718 N LEU A 43 3.598 -0.592 -4.996 1.00 0.00 N ATOM 719 CA LEU A 43 3.244 0.823 -4.983 1.00 0.00 C ATOM 720 C LEU A 43 3.836 1.546 -6.189 1.00 0.00 C ATOM 721 O LEU A 43 5.020 1.396 -6.492 1.00 0.00 O ATOM 722 CB LEU A 43 3.733 1.483 -3.693 1.00 0.00 C ATOM 723 CG LEU A 43 2.788 1.346 -2.496 1.00 0.00 C ATOM 724 CD1 LEU A 43 3.349 0.363 -1.479 1.00 0.00 C ATOM 725 CD2 LEU A 43 2.543 2.703 -1.851 1.00 0.00 C ATOM 0 H LEU A 43 4.554 -0.785 -5.294 1.00 0.00 H new ATOM 0 HA LEU A 43 2.158 0.897 -5.033 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.698 1.052 -3.426 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.899 2.543 -3.886 1.00 0.00 H new ATOM 0 HG LEU A 43 1.834 0.959 -2.855 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.663 0.280 -0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.470 -0.614 -1.946 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.317 0.718 -1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.869 2.586 -1.002 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.490 3.119 -1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.094 3.377 -2.581 1.00 0.00 H new ATOM 737 N GLU A 44 3.009 2.329 -6.869 1.00 0.00 N ATOM 738 CA GLU A 44 3.457 3.077 -8.038 1.00 0.00 C ATOM 739 C GLU A 44 3.759 4.525 -7.664 1.00 0.00 C ATOM 740 O GLU A 44 2.869 5.376 -7.655 1.00 0.00 O ATOM 741 CB GLU A 44 2.402 3.030 -9.147 1.00 0.00 C ATOM 742 CG GLU A 44 1.701 1.687 -9.268 1.00 0.00 C ATOM 743 CD GLU A 44 0.996 1.516 -10.600 1.00 0.00 C ATOM 744 OE1 GLU A 44 0.078 2.310 -10.893 1.00 0.00 O ATOM 745 OE2 GLU A 44 1.361 0.587 -11.351 1.00 0.00 O ATOM 0 H GLU A 44 2.026 2.463 -6.632 1.00 0.00 H new ATOM 0 HA GLU A 44 4.371 2.613 -8.407 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.657 3.803 -8.960 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.877 3.269 -10.098 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.431 0.887 -9.142 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.975 1.586 -8.461 1.00 0.00 H new ATOM 752 N PHE A 45 5.023 4.794 -7.354 1.00 0.00 N ATOM 753 CA PHE A 45 5.452 6.134 -6.973 1.00 0.00 C ATOM 754 C PHE A 45 5.174 7.134 -8.090 1.00 0.00 C ATOM 755 O PHE A 45 5.524 6.902 -9.246 1.00 0.00 O ATOM 756 CB PHE A 45 6.947 6.135 -6.638 1.00 0.00 C ATOM 757 CG PHE A 45 7.288 5.501 -5.314 1.00 0.00 C ATOM 758 CD1 PHE A 45 6.380 4.682 -4.655 1.00 0.00 C ATOM 759 CD2 PHE A 45 8.525 5.726 -4.729 1.00 0.00 C ATOM 760 CE1 PHE A 45 6.700 4.103 -3.443 1.00 0.00 C ATOM 761 CE2 PHE A 45 8.849 5.149 -3.516 1.00 0.00 C ATOM 762 CZ PHE A 45 7.936 4.336 -2.872 1.00 0.00 C ATOM 0 H PHE A 45 5.770 4.099 -7.359 1.00 0.00 H new ATOM 0 HA PHE A 45 4.885 6.433 -6.092 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.484 5.610 -7.428 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.306 7.164 -6.638 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.412 4.496 -5.096 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.244 6.360 -5.227 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.984 3.468 -2.942 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.816 5.333 -3.071 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.188 3.884 -1.924 1.00 0.00 H new ATOM 772 N LYS A 46 4.543 8.248 -7.734 1.00 0.00 N ATOM 773 CA LYS A 46 4.218 9.285 -8.703 1.00 0.00 C ATOM 774 C LYS A 46 5.330 10.329 -8.774 1.00 0.00 C ATOM 775 O LYS A 46 5.627 10.862 -9.842 1.00 0.00 O ATOM 776 CB LYS A 46 2.893 9.956 -8.337 1.00 0.00 C ATOM 777 CG LYS A 46 1.675 9.092 -8.624 1.00 0.00 C ATOM 778 CD LYS A 46 1.348 9.067 -10.108 1.00 0.00 C ATOM 779 CE LYS A 46 0.269 10.079 -10.457 1.00 0.00 C ATOM 780 NZ LYS A 46 -0.374 9.777 -11.766 1.00 0.00 N ATOM 0 H LYS A 46 4.247 8.455 -6.780 1.00 0.00 H new ATOM 0 HA LYS A 46 4.121 8.817 -9.683 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.905 10.212 -7.278 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.804 10.891 -8.890 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.857 8.076 -8.273 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.818 9.472 -8.068 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.249 9.280 -10.684 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.017 8.068 -10.392 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.489 10.086 -9.674 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.705 11.078 -10.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.104 10.490 -11.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.344 9.795 -12.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.812 8.835 -11.728 1.00 0.00 H new ATOM 794 N ASN A 47 5.941 10.611 -7.628 1.00 0.00 N ATOM 795 CA ASN A 47 7.023 11.587 -7.557 1.00 0.00 C ATOM 796 C ASN A 47 8.168 11.069 -6.691 1.00 0.00 C ATOM 797 O ASN A 47 8.119 9.947 -6.188 1.00 0.00 O ATOM 798 CB ASN A 47 6.505 12.915 -7.003 1.00 0.00 C ATOM 799 CG ASN A 47 6.194 13.918 -8.097 1.00 0.00 C ATOM 800 OD1 ASN A 47 5.438 13.626 -9.025 1.00 0.00 O ATOM 801 ND2 ASN A 47 6.779 15.105 -7.996 1.00 0.00 N ATOM 0 H ASN A 47 5.705 10.177 -6.735 1.00 0.00 H new ATOM 0 HA ASN A 47 7.401 11.747 -8.567 1.00 0.00 H new ATOM 0 HB2 ASN A 47 5.606 12.734 -6.414 1.00 0.00 H new ATOM 0 HB3 ASN A 47 7.248 13.338 -6.327 1.00 0.00 H new ATOM 0 HD21 ASN A 47 6.610 15.819 -8.704 1.00 0.00 H new ATOM 0 HD22 ASN A 47 7.398 15.303 -7.210 1.00 0.00 H new ATOM 808 N THR A 48 9.194 11.897 -6.520 1.00 0.00 N ATOM 809 CA THR A 48 10.350 11.520 -5.711 1.00 0.00 C ATOM 810 C THR A 48 10.896 12.721 -4.947 1.00 0.00 C ATOM 811 O THR A 48 11.846 13.368 -5.384 1.00 0.00 O ATOM 812 CB THR A 48 11.445 10.924 -6.598 1.00 0.00 C ATOM 813 OG1 THR A 48 11.514 11.607 -7.837 1.00 0.00 O ATOM 814 CG2 THR A 48 11.242 9.454 -6.893 1.00 0.00 C ATOM 0 H THR A 48 9.250 12.830 -6.929 1.00 0.00 H new ATOM 0 HA THR A 48 10.028 10.770 -4.989 1.00 0.00 H new ATOM 0 HB THR A 48 12.370 11.039 -6.032 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.141 12.356 -7.763 1.00 0.00 H new ATOM 0 HG21 THR A 48 12.053 9.095 -7.526 1.00 0.00 H new ATOM 0 HG22 THR A 48 11.235 8.893 -5.959 1.00 0.00 H new ATOM 0 HG23 THR A 48 10.291 9.314 -7.407 1.00 0.00 H new ATOM 822 N SER A 49 10.287 13.014 -3.802 1.00 0.00 N ATOM 823 CA SER A 49 10.710 14.138 -2.974 1.00 0.00 C ATOM 824 C SER A 49 10.649 15.451 -3.750 1.00 0.00 C ATOM 825 O SER A 49 11.314 16.424 -3.392 1.00 0.00 O ATOM 826 CB SER A 49 12.129 13.907 -2.452 1.00 0.00 C ATOM 827 OG SER A 49 13.096 14.257 -3.428 1.00 0.00 O ATOM 0 H SER A 49 9.498 12.488 -3.426 1.00 0.00 H new ATOM 0 HA SER A 49 10.024 14.208 -2.130 1.00 0.00 H new ATOM 0 HB2 SER A 49 12.288 14.498 -1.550 1.00 0.00 H new ATOM 0 HB3 SER A 49 12.251 12.860 -2.174 1.00 0.00 H new ATOM 0 HG SER A 49 12.828 13.895 -4.299 1.00 0.00 H new ATOM 833 N LYS A 50 9.849 15.475 -4.812 1.00 0.00 N ATOM 834 CA LYS A 50 9.707 16.673 -5.632 1.00 0.00 C ATOM 835 C LYS A 50 8.427 17.427 -5.277 1.00 0.00 C ATOM 836 O LYS A 50 8.437 18.647 -5.123 1.00 0.00 O ATOM 837 CB LYS A 50 9.698 16.302 -7.116 1.00 0.00 C ATOM 838 CG LYS A 50 11.045 16.495 -7.798 1.00 0.00 C ATOM 839 CD LYS A 50 11.873 15.219 -7.770 1.00 0.00 C ATOM 840 CE LYS A 50 12.241 14.762 -9.173 1.00 0.00 C ATOM 841 NZ LYS A 50 11.175 13.917 -9.781 1.00 0.00 N ATOM 0 H LYS A 50 9.291 14.680 -5.124 1.00 0.00 H new ATOM 0 HA LYS A 50 10.559 17.323 -5.432 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.393 15.261 -7.220 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.950 16.906 -7.629 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.890 16.806 -8.831 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.593 17.296 -7.303 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.781 15.386 -7.191 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.313 14.432 -7.265 1.00 0.00 H new ATOM 0 HE2 LYS A 50 12.417 15.633 -9.804 1.00 0.00 H new ATOM 0 HE3 LYS A 50 13.174 14.200 -9.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 11.426 13.697 -10.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 11.083 13.033 -9.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.271 14.431 -9.761 1.00 0.00 H new ATOM 855 N ASN A 51 7.331 16.688 -5.147 1.00 0.00 N ATOM 856 CA ASN A 51 6.044 17.283 -4.810 1.00 0.00 C ATOM 857 C ASN A 51 6.079 17.904 -3.417 1.00 0.00 C ATOM 858 O ASN A 51 5.801 17.236 -2.420 1.00 0.00 O ATOM 859 CB ASN A 51 4.937 16.230 -4.884 1.00 0.00 C ATOM 860 CG ASN A 51 4.233 16.224 -6.228 1.00 0.00 C ATOM 861 OD1 ASN A 51 4.096 15.180 -6.865 1.00 0.00 O ATOM 862 ND2 ASN A 51 3.783 17.394 -6.664 1.00 0.00 N ATOM 0 H ASN A 51 7.308 15.676 -5.270 1.00 0.00 H new ATOM 0 HA ASN A 51 5.836 18.071 -5.534 1.00 0.00 H new ATOM 0 HB2 ASN A 51 5.363 15.245 -4.696 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.208 16.417 -4.096 1.00 0.00 H new ATOM 0 HD21 ASN A 51 3.301 17.453 -7.561 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.919 18.234 -6.102 1.00 0.00 H new ATOM 869 N ALA A 52 6.419 19.187 -3.356 1.00 0.00 N ATOM 870 CA ALA A 52 6.488 19.900 -2.085 1.00 0.00 C ATOM 871 C ALA A 52 5.119 20.442 -1.687 1.00 0.00 C ATOM 872 O ALA A 52 4.957 21.640 -1.453 1.00 0.00 O ATOM 873 CB ALA A 52 7.506 21.027 -2.168 1.00 0.00 C ATOM 0 H ALA A 52 6.651 19.754 -4.171 1.00 0.00 H new ATOM 0 HA ALA A 52 6.807 19.197 -1.316 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.547 21.551 -1.213 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.488 20.614 -2.398 1.00 0.00 H new ATOM 0 HB3 ALA A 52 7.213 21.725 -2.952 1.00 0.00 H new ATOM 879 N LYS A 53 4.136 19.551 -1.611 1.00 0.00 N ATOM 880 CA LYS A 53 2.779 19.935 -1.242 1.00 0.00 C ATOM 881 C LYS A 53 1.937 18.701 -0.929 1.00 0.00 C ATOM 882 O LYS A 53 1.345 18.598 0.145 1.00 0.00 O ATOM 883 CB LYS A 53 2.128 20.740 -2.371 1.00 0.00 C ATOM 884 CG LYS A 53 2.097 22.237 -2.112 1.00 0.00 C ATOM 885 CD LYS A 53 2.279 23.028 -3.396 1.00 0.00 C ATOM 886 CE LYS A 53 1.015 23.017 -4.242 1.00 0.00 C ATOM 887 NZ LYS A 53 1.322 23.026 -5.699 1.00 0.00 N ATOM 0 H LYS A 53 4.255 18.556 -1.801 1.00 0.00 H new ATOM 0 HA LYS A 53 2.831 20.557 -0.348 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.669 20.551 -3.299 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.108 20.384 -2.518 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.148 22.507 -1.648 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.884 22.502 -1.406 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.548 24.057 -3.156 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.105 22.608 -3.969 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.424 22.133 -4.001 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.405 23.885 -3.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.434 23.018 -6.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.864 23.882 -5.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.883 22.184 -5.941 1.00 0.00 H new ATOM 901 N PHE A 54 1.892 17.769 -1.874 1.00 0.00 N ATOM 902 CA PHE A 54 1.126 16.539 -1.704 1.00 0.00 C ATOM 903 C PHE A 54 1.887 15.347 -2.267 1.00 0.00 C ATOM 904 O PHE A 54 2.139 15.274 -3.471 1.00 0.00 O ATOM 905 CB PHE A 54 -0.239 16.655 -2.386 1.00 0.00 C ATOM 906 CG PHE A 54 -0.876 18.009 -2.241 1.00 0.00 C ATOM 907 CD1 PHE A 54 -1.152 18.527 -0.987 1.00 0.00 C ATOM 908 CD2 PHE A 54 -1.196 18.762 -3.360 1.00 0.00 C ATOM 909 CE1 PHE A 54 -1.738 19.773 -0.850 1.00 0.00 C ATOM 910 CE2 PHE A 54 -1.782 20.007 -3.230 1.00 0.00 C ATOM 911 CZ PHE A 54 -2.053 20.513 -1.972 1.00 0.00 C ATOM 0 H PHE A 54 2.378 17.842 -2.768 1.00 0.00 H new ATOM 0 HA PHE A 54 0.974 16.383 -0.636 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.126 16.429 -3.446 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.908 15.902 -1.969 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.907 17.952 -0.106 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.985 18.371 -4.345 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.949 20.166 0.134 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.028 20.584 -4.109 1.00 0.00 H new ATOM 0 HZ PHE A 54 -2.510 21.486 -1.867 1.00 0.00 H new ATOM 921 N TYR A 55 2.252 14.418 -1.393 1.00 0.00 N ATOM 922 CA TYR A 55 2.984 13.233 -1.811 1.00 0.00 C ATOM 923 C TYR A 55 2.035 12.200 -2.405 1.00 0.00 C ATOM 924 O TYR A 55 1.241 11.588 -1.691 1.00 0.00 O ATOM 925 CB TYR A 55 3.739 12.628 -0.626 1.00 0.00 C ATOM 926 CG TYR A 55 4.859 13.505 -0.112 1.00 0.00 C ATOM 927 CD1 TYR A 55 4.594 14.596 0.705 1.00 0.00 C ATOM 928 CD2 TYR A 55 6.182 13.241 -0.445 1.00 0.00 C ATOM 929 CE1 TYR A 55 5.614 15.400 1.177 1.00 0.00 C ATOM 930 CE2 TYR A 55 7.209 14.040 0.024 1.00 0.00 C ATOM 931 CZ TYR A 55 6.920 15.117 0.834 1.00 0.00 C ATOM 932 OH TYR A 55 7.938 15.915 1.300 1.00 0.00 O ATOM 0 H TYR A 55 2.053 14.463 -0.394 1.00 0.00 H new ATOM 0 HA TYR A 55 3.703 13.527 -2.575 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.035 12.439 0.185 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.151 11.663 -0.922 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.573 14.820 0.976 1.00 0.00 H new ATOM 0 HD2 TYR A 55 6.412 12.398 -1.080 1.00 0.00 H new ATOM 0 HE1 TYR A 55 5.390 16.245 1.811 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.232 13.821 -0.243 1.00 0.00 H new ATOM 0 HH TYR A 55 8.796 15.578 0.967 1.00 0.00 H new ATOM 942 N SER A 56 2.123 12.017 -3.715 1.00 0.00 N ATOM 943 CA SER A 56 1.272 11.063 -4.414 1.00 0.00 C ATOM 944 C SER A 56 1.942 9.696 -4.518 1.00 0.00 C ATOM 945 O SER A 56 3.083 9.584 -4.967 1.00 0.00 O ATOM 946 CB SER A 56 0.928 11.583 -5.812 1.00 0.00 C ATOM 947 OG SER A 56 -0.023 10.748 -6.450 1.00 0.00 O ATOM 0 H SER A 56 2.777 12.518 -4.317 1.00 0.00 H new ATOM 0 HA SER A 56 0.354 10.950 -3.837 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.535 12.597 -5.739 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.834 11.635 -6.416 1.00 0.00 H new ATOM 0 HG SER A 56 -0.128 9.920 -5.936 1.00 0.00 H new ATOM 953 N PHE A 57 1.222 8.659 -4.105 1.00 0.00 N ATOM 954 CA PHE A 57 1.739 7.296 -4.152 1.00 0.00 C ATOM 955 C PHE A 57 0.617 6.307 -4.454 1.00 0.00 C ATOM 956 O PHE A 57 -0.460 6.380 -3.863 1.00 0.00 O ATOM 957 CB PHE A 57 2.412 6.934 -2.828 1.00 0.00 C ATOM 958 CG PHE A 57 3.780 7.532 -2.666 1.00 0.00 C ATOM 959 CD1 PHE A 57 3.935 8.882 -2.397 1.00 0.00 C ATOM 960 CD2 PHE A 57 4.914 6.742 -2.785 1.00 0.00 C ATOM 961 CE1 PHE A 57 5.193 9.434 -2.248 1.00 0.00 C ATOM 962 CE2 PHE A 57 6.173 7.289 -2.638 1.00 0.00 C ATOM 963 CZ PHE A 57 6.314 8.637 -2.370 1.00 0.00 C ATOM 0 H PHE A 57 0.276 8.737 -3.733 1.00 0.00 H new ATOM 0 HA PHE A 57 2.479 7.240 -4.950 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.779 7.267 -2.005 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.488 5.849 -2.753 1.00 0.00 H new ATOM 0 HD1 PHE A 57 3.062 9.511 -2.303 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.811 5.688 -2.995 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.299 10.488 -2.036 1.00 0.00 H new ATOM 0 HE2 PHE A 57 7.048 6.663 -2.733 1.00 0.00 H new ATOM 0 HZ PHE A 57 7.298 9.066 -2.256 1.00 0.00 H new ATOM 973 N ASN A 58 0.872 5.386 -5.377 1.00 0.00 N ATOM 974 CA ASN A 58 -0.125 4.388 -5.750 1.00 0.00 C ATOM 975 C ASN A 58 0.101 3.083 -4.995 1.00 0.00 C ATOM 976 O ASN A 58 1.177 2.852 -4.444 1.00 0.00 O ATOM 977 CB ASN A 58 -0.088 4.136 -7.257 1.00 0.00 C ATOM 978 CG ASN A 58 -1.474 3.982 -7.852 1.00 0.00 C ATOM 979 OD1 ASN A 58 -2.397 3.505 -7.191 1.00 0.00 O ATOM 980 ND2 ASN A 58 -1.628 4.387 -9.108 1.00 0.00 N ATOM 0 H ASN A 58 1.757 5.309 -5.879 1.00 0.00 H new ATOM 0 HA ASN A 58 -1.108 4.775 -5.480 1.00 0.00 H new ATOM 0 HB2 ASN A 58 0.425 4.963 -7.748 1.00 0.00 H new ATOM 0 HB3 ASN A 58 0.493 3.236 -7.458 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -2.538 4.308 -9.561 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -0.836 4.776 -9.619 1.00 0.00 H new ATOM 987 N VAL A 59 -0.922 2.234 -4.972 1.00 0.00 N ATOM 988 CA VAL A 59 -0.831 0.954 -4.279 1.00 0.00 C ATOM 989 C VAL A 59 -1.469 -0.164 -5.097 1.00 0.00 C ATOM 990 O VAL A 59 -2.690 -0.217 -5.249 1.00 0.00 O ATOM 991 CB VAL A 59 -1.513 1.009 -2.897 1.00 0.00 C ATOM 992 CG1 VAL A 59 -1.042 -0.142 -2.023 1.00 0.00 C ATOM 993 CG2 VAL A 59 -1.250 2.346 -2.218 1.00 0.00 C ATOM 0 H VAL A 59 -1.820 2.408 -5.423 1.00 0.00 H new ATOM 0 HA VAL A 59 0.231 0.747 -4.146 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.589 0.910 -3.042 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.534 -0.086 -1.052 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.291 -1.089 -2.502 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.038 -0.077 -1.887 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.740 2.363 -1.245 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.177 2.482 -2.086 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.644 3.152 -2.837 1.00 0.00 H new ATOM 1003 N SER A 60 -0.635 -1.058 -5.614 1.00 0.00 N ATOM 1004 CA SER A 60 -1.113 -2.183 -6.411 1.00 0.00 C ATOM 1005 C SER A 60 -1.091 -3.466 -5.590 1.00 0.00 C ATOM 1006 O SER A 60 -0.036 -4.070 -5.393 1.00 0.00 O ATOM 1007 CB SER A 60 -0.257 -2.349 -7.666 1.00 0.00 C ATOM 1008 OG SER A 60 -1.047 -2.749 -8.773 1.00 0.00 O ATOM 0 H SER A 60 0.378 -1.026 -5.496 1.00 0.00 H new ATOM 0 HA SER A 60 -2.141 -1.978 -6.712 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.245 -1.409 -7.894 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.521 -3.090 -7.484 1.00 0.00 H new ATOM 0 HG SER A 60 -0.476 -2.847 -9.564 1.00 0.00 H new ATOM 1014 N MET A 61 -2.258 -3.876 -5.107 1.00 0.00 N ATOM 1015 CA MET A 61 -2.371 -5.086 -4.300 1.00 0.00 C ATOM 1016 C MET A 61 -3.375 -6.058 -4.910 1.00 0.00 C ATOM 1017 O MET A 61 -4.384 -5.648 -5.483 1.00 0.00 O ATOM 1018 CB MET A 61 -2.786 -4.731 -2.872 1.00 0.00 C ATOM 1019 CG MET A 61 -2.926 -5.937 -1.959 1.00 0.00 C ATOM 1020 SD MET A 61 -2.543 -5.556 -0.240 1.00 0.00 S ATOM 1021 CE MET A 61 -2.161 -7.187 0.393 1.00 0.00 C ATOM 0 H MET A 61 -3.141 -3.388 -5.260 1.00 0.00 H new ATOM 0 HA MET A 61 -1.395 -5.571 -4.278 1.00 0.00 H new ATOM 0 HB2 MET A 61 -2.049 -4.049 -2.448 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.735 -4.196 -2.901 1.00 0.00 H new ATOM 0 HG2 MET A 61 -3.944 -6.320 -2.024 1.00 0.00 H new ATOM 0 HG3 MET A 61 -2.264 -6.730 -2.307 1.00 0.00 H new ATOM 0 HE1 MET A 61 -2.405 -7.232 1.454 1.00 0.00 H new ATOM 0 HE2 MET A 61 -2.746 -7.932 -0.145 1.00 0.00 H new ATOM 0 HE3 MET A 61 -1.099 -7.391 0.256 1.00 0.00 H new ATOM 1031 N GLU A 62 -3.091 -7.350 -4.780 1.00 0.00 N ATOM 1032 CA GLU A 62 -3.968 -8.384 -5.318 1.00 0.00 C ATOM 1033 C GLU A 62 -5.245 -8.498 -4.491 1.00 0.00 C ATOM 1034 O GLU A 62 -5.256 -9.120 -3.430 1.00 0.00 O ATOM 1035 CB GLU A 62 -3.243 -9.731 -5.348 1.00 0.00 C ATOM 1036 CG GLU A 62 -3.586 -10.578 -6.564 1.00 0.00 C ATOM 1037 CD GLU A 62 -4.263 -11.884 -6.193 1.00 0.00 C ATOM 1038 OE1 GLU A 62 -5.499 -11.882 -6.012 1.00 0.00 O ATOM 1039 OE2 GLU A 62 -3.556 -12.908 -6.084 1.00 0.00 O ATOM 0 H GLU A 62 -2.260 -7.706 -4.307 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.240 -8.103 -6.335 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.167 -9.556 -5.329 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.492 -10.289 -4.445 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.240 -10.009 -7.226 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.675 -10.791 -7.122 1.00 0.00 H new ATOM 1046 N VAL A 63 -6.319 -7.895 -4.989 1.00 0.00 N ATOM 1047 CA VAL A 63 -7.602 -7.931 -4.302 1.00 0.00 C ATOM 1048 C VAL A 63 -8.380 -9.192 -4.664 1.00 0.00 C ATOM 1049 O VAL A 63 -8.357 -9.639 -5.811 1.00 0.00 O ATOM 1050 CB VAL A 63 -8.453 -6.690 -4.640 1.00 0.00 C ATOM 1051 CG1 VAL A 63 -9.823 -6.770 -3.979 1.00 0.00 C ATOM 1052 CG2 VAL A 63 -7.730 -5.419 -4.221 1.00 0.00 C ATOM 0 H VAL A 63 -6.325 -7.375 -5.867 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.394 -7.934 -3.232 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.601 -6.665 -5.720 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -10.402 -5.883 -4.234 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.346 -7.659 -4.332 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.702 -6.826 -2.897 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.345 -4.553 -4.467 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.548 -5.441 -3.147 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.779 -5.351 -4.749 1.00 0.00 H new ATOM 1062 N SER A 64 -9.065 -9.762 -3.678 1.00 0.00 N ATOM 1063 CA SER A 64 -9.850 -10.973 -3.885 1.00 0.00 C ATOM 1064 C SER A 64 -11.345 -10.679 -3.788 1.00 0.00 C ATOM 1065 O SER A 64 -12.158 -11.327 -4.445 1.00 0.00 O ATOM 1066 CB SER A 64 -9.463 -12.036 -2.857 1.00 0.00 C ATOM 1067 OG SER A 64 -9.239 -11.457 -1.583 1.00 0.00 O ATOM 0 H SER A 64 -9.092 -9.403 -2.724 1.00 0.00 H new ATOM 0 HA SER A 64 -9.636 -11.347 -4.886 1.00 0.00 H new ATOM 0 HB2 SER A 64 -10.254 -12.783 -2.786 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.563 -12.555 -3.187 1.00 0.00 H new ATOM 0 HG SER A 64 -8.995 -12.158 -0.943 1.00 0.00 H new ATOM 1073 N ASN A 65 -11.697 -9.699 -2.963 1.00 0.00 N ATOM 1074 CA ASN A 65 -13.095 -9.319 -2.777 1.00 0.00 C ATOM 1075 C ASN A 65 -13.208 -8.043 -1.949 1.00 0.00 C ATOM 1076 O ASN A 65 -12.201 -7.436 -1.584 1.00 0.00 O ATOM 1077 CB ASN A 65 -13.875 -10.454 -2.101 1.00 0.00 C ATOM 1078 CG ASN A 65 -13.024 -11.264 -1.140 1.00 0.00 C ATOM 1079 OD1 ASN A 65 -12.939 -12.487 -1.249 1.00 0.00 O ATOM 1080 ND2 ASN A 65 -12.387 -10.585 -0.193 1.00 0.00 N ATOM 0 H ASN A 65 -11.035 -9.153 -2.412 1.00 0.00 H new ATOM 0 HA ASN A 65 -13.525 -9.131 -3.761 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -14.724 -10.034 -1.561 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -14.280 -11.116 -2.866 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -11.799 -11.077 0.480 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -12.485 -9.571 -0.139 1.00 0.00 H new ATOM 1087 N GLU A 66 -14.441 -7.641 -1.656 1.00 0.00 N ATOM 1088 CA GLU A 66 -14.690 -6.434 -0.873 1.00 0.00 C ATOM 1089 C GLU A 66 -13.978 -6.498 0.475 1.00 0.00 C ATOM 1090 O GLU A 66 -13.598 -5.471 1.035 1.00 0.00 O ATOM 1091 CB GLU A 66 -16.192 -6.240 -0.658 1.00 0.00 C ATOM 1092 CG GLU A 66 -16.925 -7.517 -0.280 1.00 0.00 C ATOM 1093 CD GLU A 66 -18.108 -7.261 0.632 1.00 0.00 C ATOM 1094 OE1 GLU A 66 -17.888 -7.010 1.836 1.00 0.00 O ATOM 1095 OE2 GLU A 66 -19.257 -7.313 0.144 1.00 0.00 O ATOM 0 H GLU A 66 -15.285 -8.134 -1.949 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.295 -5.585 -1.431 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.345 -5.498 0.126 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.631 -5.836 -1.570 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.270 -8.015 -1.186 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.231 -8.198 0.213 1.00 0.00 H new ATOM 1102 N SER A 67 -13.802 -7.712 0.992 1.00 0.00 N ATOM 1103 CA SER A 67 -13.136 -7.907 2.275 1.00 0.00 C ATOM 1104 C SER A 67 -11.767 -7.234 2.285 1.00 0.00 C ATOM 1105 O SER A 67 -11.445 -6.467 3.194 1.00 0.00 O ATOM 1106 CB SER A 67 -12.990 -9.401 2.575 1.00 0.00 C ATOM 1107 OG SER A 67 -13.583 -9.732 3.819 1.00 0.00 O ATOM 0 H SER A 67 -14.111 -8.574 0.542 1.00 0.00 H new ATOM 0 HA SER A 67 -13.750 -7.448 3.050 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.457 -9.982 1.780 1.00 0.00 H new ATOM 0 HB3 SER A 67 -11.934 -9.671 2.589 1.00 0.00 H new ATOM 0 HG SER A 67 -13.478 -10.692 3.986 1.00 0.00 H new ATOM 1113 N GLU A 68 -10.966 -7.522 1.266 1.00 0.00 N ATOM 1114 CA GLU A 68 -9.634 -6.938 1.160 1.00 0.00 C ATOM 1115 C GLU A 68 -9.725 -5.444 0.876 1.00 0.00 C ATOM 1116 O GLU A 68 -9.076 -4.640 1.539 1.00 0.00 O ATOM 1117 CB GLU A 68 -8.817 -7.628 0.060 1.00 0.00 C ATOM 1118 CG GLU A 68 -9.102 -9.117 -0.086 1.00 0.00 C ATOM 1119 CD GLU A 68 -9.058 -9.854 1.238 1.00 0.00 C ATOM 1120 OE1 GLU A 68 -7.995 -9.834 1.893 1.00 0.00 O ATOM 1121 OE2 GLU A 68 -10.086 -10.451 1.620 1.00 0.00 O ATOM 0 H GLU A 68 -11.214 -8.154 0.504 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.128 -7.088 2.114 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.020 -7.135 -0.891 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.756 -7.491 0.270 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.084 -9.252 -0.540 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.373 -9.557 -0.767 1.00 0.00 H new ATOM 1128 N ARG A 69 -10.539 -5.083 -0.114 1.00 0.00 N ATOM 1129 CA ARG A 69 -10.723 -3.683 -0.495 1.00 0.00 C ATOM 1130 C ARG A 69 -10.846 -2.782 0.732 1.00 0.00 C ATOM 1131 O ARG A 69 -10.296 -1.681 0.763 1.00 0.00 O ATOM 1132 CB ARG A 69 -11.967 -3.534 -1.374 1.00 0.00 C ATOM 1133 CG ARG A 69 -11.802 -2.518 -2.494 1.00 0.00 C ATOM 1134 CD ARG A 69 -13.068 -2.399 -3.327 1.00 0.00 C ATOM 1135 NE ARG A 69 -13.183 -1.088 -3.964 1.00 0.00 N ATOM 1136 CZ ARG A 69 -13.548 0.018 -3.320 1.00 0.00 C ATOM 1137 NH1 ARG A 69 -13.833 -0.023 -2.025 1.00 0.00 N ATOM 1138 NH2 ARG A 69 -13.627 1.169 -3.975 1.00 0.00 N ATOM 0 H ARG A 69 -11.084 -5.743 -0.669 1.00 0.00 H new ATOM 0 HA ARG A 69 -9.842 -3.373 -1.057 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.214 -4.503 -1.807 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.810 -3.240 -0.749 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -11.551 -1.546 -2.071 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -10.970 -2.812 -3.134 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -13.073 -3.175 -4.092 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -13.937 -2.571 -2.692 1.00 0.00 H new ATOM 0 HE ARG A 69 -12.971 -1.017 -4.959 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -13.773 -0.906 -1.517 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -14.112 0.828 -1.537 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -13.408 1.205 -4.971 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -13.907 2.018 -3.483 1.00 0.00 H new ATOM 1152 N ASN A 70 -11.565 -3.259 1.742 1.00 0.00 N ATOM 1153 CA ASN A 70 -11.755 -2.498 2.971 1.00 0.00 C ATOM 1154 C ASN A 70 -10.493 -2.534 3.829 1.00 0.00 C ATOM 1155 O ASN A 70 -10.189 -1.579 4.545 1.00 0.00 O ATOM 1156 CB ASN A 70 -12.942 -3.050 3.761 1.00 0.00 C ATOM 1157 CG ASN A 70 -13.783 -1.953 4.385 1.00 0.00 C ATOM 1158 OD1 ASN A 70 -13.761 -1.754 5.600 1.00 0.00 O ATOM 1159 ND2 ASN A 70 -14.530 -1.236 3.555 1.00 0.00 N ATOM 0 H ASN A 70 -12.026 -4.169 1.734 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.961 -1.462 2.702 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -13.567 -3.651 3.100 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.576 -3.714 4.545 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -15.117 -0.485 3.917 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -14.517 -1.436 2.555 1.00 0.00 H new ATOM 1166 N GLU A 71 -9.764 -3.642 3.750 1.00 0.00 N ATOM 1167 CA GLU A 71 -8.535 -3.804 4.518 1.00 0.00 C ATOM 1168 C GLU A 71 -7.390 -3.012 3.891 1.00 0.00 C ATOM 1169 O GLU A 71 -6.639 -2.330 4.589 1.00 0.00 O ATOM 1170 CB GLU A 71 -8.160 -5.286 4.608 1.00 0.00 C ATOM 1171 CG GLU A 71 -8.355 -5.877 5.994 1.00 0.00 C ATOM 1172 CD GLU A 71 -7.522 -7.123 6.221 1.00 0.00 C ATOM 1173 OE1 GLU A 71 -7.278 -7.860 5.242 1.00 0.00 O ATOM 1174 OE2 GLU A 71 -7.113 -7.362 7.376 1.00 0.00 O ATOM 0 H GLU A 71 -10.003 -4.441 3.162 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.709 -3.418 5.522 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.761 -5.849 3.894 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.118 -5.408 4.313 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.095 -5.129 6.743 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.408 -6.118 6.137 1.00 0.00 H new ATOM 1181 N ILE A 72 -7.259 -3.108 2.572 1.00 0.00 N ATOM 1182 CA ILE A 72 -6.203 -2.402 1.854 1.00 0.00 C ATOM 1183 C ILE A 72 -6.359 -0.890 1.989 1.00 0.00 C ATOM 1184 O ILE A 72 -5.378 -0.150 1.926 1.00 0.00 O ATOM 1185 CB ILE A 72 -6.188 -2.765 0.354 1.00 0.00 C ATOM 1186 CG1 ILE A 72 -6.396 -4.274 0.162 1.00 0.00 C ATOM 1187 CG2 ILE A 72 -4.880 -2.311 -0.281 1.00 0.00 C ATOM 1188 CD1 ILE A 72 -5.955 -4.790 -1.194 1.00 0.00 C ATOM 0 H ILE A 72 -7.871 -3.668 1.978 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.262 -2.715 2.305 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.010 -2.247 -0.141 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.848 -4.808 0.938 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.452 -4.505 0.301 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -4.880 -2.572 -1.339 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.779 -1.231 -0.173 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.044 -2.805 0.215 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.135 -5.864 -1.251 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.521 -4.285 -1.977 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.892 -4.592 -1.330 1.00 0.00 H new ATOM 1200 N PHE A 73 -7.595 -0.437 2.169 1.00 0.00 N ATOM 1201 CA PHE A 73 -7.873 0.989 2.304 1.00 0.00 C ATOM 1202 C PHE A 73 -7.671 1.461 3.742 1.00 0.00 C ATOM 1203 O PHE A 73 -7.044 2.493 3.981 1.00 0.00 O ATOM 1204 CB PHE A 73 -9.302 1.296 1.851 1.00 0.00 C ATOM 1205 CG PHE A 73 -9.428 2.593 1.104 1.00 0.00 C ATOM 1206 CD1 PHE A 73 -8.755 2.786 -0.092 1.00 0.00 C ATOM 1207 CD2 PHE A 73 -10.218 3.618 1.598 1.00 0.00 C ATOM 1208 CE1 PHE A 73 -8.869 3.979 -0.782 1.00 0.00 C ATOM 1209 CE2 PHE A 73 -10.335 4.813 0.913 1.00 0.00 C ATOM 1210 CZ PHE A 73 -9.660 4.994 -0.279 1.00 0.00 C ATOM 0 H PHE A 73 -8.419 -1.035 2.225 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.170 1.527 1.668 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -9.656 0.484 1.216 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -9.953 1.324 2.724 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -8.135 1.996 -0.489 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -10.749 3.482 2.529 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -8.340 4.117 -1.713 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -10.954 5.605 1.309 1.00 0.00 H new ATOM 0 HZ PHE A 73 -9.750 5.927 -0.816 1.00 0.00 H new ATOM 1220 N GLN A 74 -8.212 0.709 4.693 1.00 0.00 N ATOM 1221 CA GLN A 74 -8.093 1.062 6.104 1.00 0.00 C ATOM 1222 C GLN A 74 -6.644 0.974 6.576 1.00 0.00 C ATOM 1223 O GLN A 74 -6.230 1.708 7.474 1.00 0.00 O ATOM 1224 CB GLN A 74 -8.979 0.153 6.958 1.00 0.00 C ATOM 1225 CG GLN A 74 -8.531 -1.299 6.977 1.00 0.00 C ATOM 1226 CD GLN A 74 -8.173 -1.784 8.370 1.00 0.00 C ATOM 1227 OE1 GLN A 74 -8.514 -2.901 8.756 1.00 0.00 O ATOM 1228 NE2 GLN A 74 -7.483 -0.943 9.132 1.00 0.00 N ATOM 0 H GLN A 74 -8.736 -0.147 4.514 1.00 0.00 H new ATOM 0 HA GLN A 74 -8.426 2.093 6.219 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -8.994 0.532 7.980 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -10.002 0.203 6.584 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.326 -1.925 6.572 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -7.667 -1.417 6.323 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.221 -0.026 8.771 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -7.215 -1.215 10.078 1.00 0.00 H new ATOM 1237 N LYS A 75 -5.876 0.074 5.969 1.00 0.00 N ATOM 1238 CA LYS A 75 -4.474 -0.100 6.334 1.00 0.00 C ATOM 1239 C LYS A 75 -3.619 1.033 5.777 1.00 0.00 C ATOM 1240 O LYS A 75 -2.941 1.737 6.525 1.00 0.00 O ATOM 1241 CB LYS A 75 -3.953 -1.446 5.827 1.00 0.00 C ATOM 1242 CG LYS A 75 -4.019 -2.553 6.865 1.00 0.00 C ATOM 1243 CD LYS A 75 -4.341 -3.896 6.230 1.00 0.00 C ATOM 1244 CE LYS A 75 -5.083 -4.808 7.195 1.00 0.00 C ATOM 1245 NZ LYS A 75 -4.414 -6.132 7.333 1.00 0.00 N ATOM 0 H LYS A 75 -6.199 -0.544 5.225 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.406 -0.080 7.422 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.531 -1.744 4.953 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.920 -1.327 5.500 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.066 -2.617 7.390 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -4.778 -2.310 7.609 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.946 -3.741 5.337 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.418 -4.378 5.910 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.145 -4.329 8.172 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.105 -4.952 6.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.134 -6.877 7.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.831 -6.316 6.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.810 -6.129 8.179 1.00 0.00 H new ATOM 1259 N ILE A 76 -3.658 1.206 4.459 1.00 0.00 N ATOM 1260 CA ILE A 76 -2.888 2.257 3.806 1.00 0.00 C ATOM 1261 C ILE A 76 -3.235 3.627 4.379 1.00 0.00 C ATOM 1262 O ILE A 76 -2.370 4.492 4.518 1.00 0.00 O ATOM 1263 CB ILE A 76 -3.127 2.265 2.283 1.00 0.00 C ATOM 1264 CG1 ILE A 76 -2.199 3.272 1.600 1.00 0.00 C ATOM 1265 CG2 ILE A 76 -4.584 2.582 1.972 1.00 0.00 C ATOM 1266 CD1 ILE A 76 -0.871 2.680 1.179 1.00 0.00 C ATOM 0 H ILE A 76 -4.214 0.633 3.824 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.836 2.046 3.996 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.902 1.272 1.894 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.701 3.679 0.722 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.018 4.105 2.279 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.734 2.583 0.892 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.226 1.827 2.426 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.837 3.563 2.374 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.264 3.450 0.702 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.349 2.298 2.056 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.042 1.865 0.475 1.00 0.00 H new ATOM 1278 N SER A 77 -4.506 3.815 4.715 1.00 0.00 N ATOM 1279 CA SER A 77 -4.970 5.076 5.277 1.00 0.00 C ATOM 1280 C SER A 77 -5.190 4.950 6.782 1.00 0.00 C ATOM 1281 O SER A 77 -5.979 5.691 7.368 1.00 0.00 O ATOM 1282 CB SER A 77 -6.265 5.519 4.596 1.00 0.00 C ATOM 1283 OG SER A 77 -6.057 5.773 3.218 1.00 0.00 O ATOM 0 H SER A 77 -5.234 3.109 4.607 1.00 0.00 H new ATOM 0 HA SER A 77 -4.201 5.828 5.100 1.00 0.00 H new ATOM 0 HB2 SER A 77 -7.025 4.747 4.716 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.645 6.418 5.081 1.00 0.00 H new ATOM 0 HG SER A 77 -6.915 5.738 2.746 1.00 0.00 H new ATOM 1289 N GLN A 78 -4.488 4.004 7.403 1.00 0.00 N ATOM 1290 CA GLN A 78 -4.609 3.783 8.839 1.00 0.00 C ATOM 1291 C GLN A 78 -3.876 4.867 9.621 1.00 0.00 C ATOM 1292 O GLN A 78 -4.281 5.231 10.726 1.00 0.00 O ATOM 1293 CB GLN A 78 -4.054 2.407 9.214 1.00 0.00 C ATOM 1294 CG GLN A 78 -4.726 1.790 10.430 1.00 0.00 C ATOM 1295 CD GLN A 78 -3.812 1.739 11.639 1.00 0.00 C ATOM 1296 OE1 GLN A 78 -2.745 2.352 11.653 1.00 0.00 O ATOM 1297 NE2 GLN A 78 -4.229 1.004 12.665 1.00 0.00 N ATOM 0 H GLN A 78 -3.831 3.380 6.934 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.667 3.825 9.098 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.170 1.734 8.365 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -2.985 2.496 9.406 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -5.618 2.365 10.678 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -5.055 0.780 10.185 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.121 0.512 12.611 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.657 0.932 13.507 1.00 0.00 H new ATOM 1306 N LEU A 79 -2.797 5.381 9.042 1.00 0.00 N ATOM 1307 CA LEU A 79 -2.007 6.424 9.685 1.00 0.00 C ATOM 1308 C LEU A 79 -2.690 7.782 9.559 1.00 0.00 C ATOM 1309 O LEU A 79 -3.793 7.886 9.023 1.00 0.00 O ATOM 1310 CB LEU A 79 -0.607 6.483 9.070 1.00 0.00 C ATOM 1311 CG LEU A 79 0.432 5.578 9.737 1.00 0.00 C ATOM 1312 CD1 LEU A 79 1.324 4.924 8.693 1.00 0.00 C ATOM 1313 CD2 LEU A 79 1.266 6.369 10.735 1.00 0.00 C ATOM 0 H LEU A 79 -2.449 5.092 8.128 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.921 6.180 10.744 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.678 6.214 8.016 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.251 7.512 9.113 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.095 4.791 10.276 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.055 4.285 9.188 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.714 4.323 8.019 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.843 5.695 8.123 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.999 5.710 11.200 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.782 7.178 10.218 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.615 6.786 11.503 1.00 0.00 H new ATOM 1325 N ASP A 80 -2.026 8.821 10.056 1.00 0.00 N ATOM 1326 CA ASP A 80 -2.568 10.174 10.002 1.00 0.00 C ATOM 1327 C ASP A 80 -1.966 10.965 8.842 1.00 0.00 C ATOM 1328 O ASP A 80 -2.532 11.966 8.404 1.00 0.00 O ATOM 1329 CB ASP A 80 -2.306 10.903 11.321 1.00 0.00 C ATOM 1330 CG ASP A 80 -3.452 10.758 12.301 1.00 0.00 C ATOM 1331 OD1 ASP A 80 -4.146 9.721 12.254 1.00 0.00 O ATOM 1332 OD2 ASP A 80 -3.657 11.682 13.117 1.00 0.00 O ATOM 0 H ASP A 80 -1.111 8.751 10.501 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.643 10.097 9.841 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.394 10.513 11.773 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.135 11.961 11.120 1.00 0.00 H new ATOM 1337 N LYS A 81 -0.816 10.512 8.350 1.00 0.00 N ATOM 1338 CA LYS A 81 -0.139 11.180 7.243 1.00 0.00 C ATOM 1339 C LYS A 81 -1.081 11.369 6.055 1.00 0.00 C ATOM 1340 O LYS A 81 -1.462 12.491 5.723 1.00 0.00 O ATOM 1341 CB LYS A 81 1.090 10.380 6.809 1.00 0.00 C ATOM 1342 CG LYS A 81 2.053 10.078 7.946 1.00 0.00 C ATOM 1343 CD LYS A 81 2.508 11.351 8.643 1.00 0.00 C ATOM 1344 CE LYS A 81 1.742 11.585 9.936 1.00 0.00 C ATOM 1345 NZ LYS A 81 2.647 11.618 11.118 1.00 0.00 N ATOM 0 H LYS A 81 -0.333 9.685 8.701 1.00 0.00 H new ATOM 0 HA LYS A 81 0.178 12.163 7.590 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.763 9.441 6.362 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.619 10.935 6.034 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.570 9.419 8.668 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.921 9.544 7.558 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.575 11.288 8.858 1.00 0.00 H new ATOM 0 HD3 LYS A 81 2.367 12.202 7.977 1.00 0.00 H new ATOM 0 HE2 LYS A 81 1.197 12.526 9.870 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.001 10.796 10.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.087 11.779 11.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.149 10.711 11.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.338 12.387 11.005 1.00 0.00 H new ATOM 1359 N VAL A 82 -1.451 10.260 5.420 1.00 0.00 N ATOM 1360 CA VAL A 82 -2.348 10.293 4.268 1.00 0.00 C ATOM 1361 C VAL A 82 -3.566 11.170 4.534 1.00 0.00 C ATOM 1362 O VAL A 82 -4.163 11.115 5.610 1.00 0.00 O ATOM 1363 CB VAL A 82 -2.826 8.881 3.883 1.00 0.00 C ATOM 1364 CG1 VAL A 82 -1.662 8.041 3.379 1.00 0.00 C ATOM 1365 CG2 VAL A 82 -3.511 8.207 5.064 1.00 0.00 C ATOM 0 H VAL A 82 -1.142 9.325 5.685 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.775 10.715 3.442 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.553 8.971 3.076 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.020 7.047 3.112 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.223 8.516 2.502 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.908 7.957 4.162 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.842 7.210 4.772 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.810 8.128 5.895 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.373 8.800 5.372 1.00 0.00 H new ATOM 1375 N VAL A 83 -3.928 11.982 3.548 1.00 0.00 N ATOM 1376 CA VAL A 83 -5.072 12.874 3.670 1.00 0.00 C ATOM 1377 C VAL A 83 -6.022 12.717 2.485 1.00 0.00 C ATOM 1378 O VAL A 83 -7.242 12.721 2.651 1.00 0.00 O ATOM 1379 CB VAL A 83 -4.615 14.343 3.774 1.00 0.00 C ATOM 1380 CG1 VAL A 83 -5.805 15.290 3.743 1.00 0.00 C ATOM 1381 CG2 VAL A 83 -3.793 14.552 5.036 1.00 0.00 C ATOM 0 H VAL A 83 -3.443 12.040 2.652 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.602 12.601 4.583 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.989 14.567 2.910 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.453 16.319 3.818 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.349 15.160 2.808 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.466 15.071 4.581 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.477 15.594 5.096 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.397 14.305 5.909 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.914 13.907 5.009 1.00 0.00 H new ATOM 1391 N GLN A 84 -5.456 12.580 1.290 1.00 0.00 N ATOM 1392 CA GLN A 84 -6.256 12.424 0.080 1.00 0.00 C ATOM 1393 C GLN A 84 -6.324 10.960 -0.342 1.00 0.00 C ATOM 1394 O GLN A 84 -5.314 10.367 -0.724 1.00 0.00 O ATOM 1395 CB GLN A 84 -5.674 13.269 -1.054 1.00 0.00 C ATOM 1396 CG GLN A 84 -6.705 13.693 -2.088 1.00 0.00 C ATOM 1397 CD GLN A 84 -7.129 15.140 -1.928 1.00 0.00 C ATOM 1398 OE1 GLN A 84 -6.452 15.929 -1.270 1.00 0.00 O ATOM 1399 NE2 GLN A 84 -8.258 15.495 -2.532 1.00 0.00 N ATOM 0 H GLN A 84 -4.448 12.574 1.134 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.268 12.768 0.296 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -5.209 14.159 -0.631 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -4.886 12.703 -1.550 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -6.294 13.547 -3.087 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -7.581 13.050 -2.007 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -8.788 14.807 -3.068 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -8.595 16.455 -2.460 1.00 0.00 H new ATOM 1408 N THR A 85 -7.519 10.385 -0.274 1.00 0.00 N ATOM 1409 CA THR A 85 -7.719 8.989 -0.650 1.00 0.00 C ATOM 1410 C THR A 85 -8.725 8.873 -1.790 1.00 0.00 C ATOM 1411 O THR A 85 -9.903 9.196 -1.629 1.00 0.00 O ATOM 1412 CB THR A 85 -8.200 8.178 0.554 1.00 0.00 C ATOM 1413 OG1 THR A 85 -9.537 8.513 0.884 1.00 0.00 O ATOM 1414 CG2 THR A 85 -7.356 8.391 1.793 1.00 0.00 C ATOM 0 H THR A 85 -8.364 10.863 0.038 1.00 0.00 H new ATOM 0 HA THR A 85 -6.763 8.589 -0.989 1.00 0.00 H new ATOM 0 HB THR A 85 -8.118 7.134 0.251 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.910 9.093 0.188 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.751 7.787 2.610 1.00 0.00 H new ATOM 0 HG22 THR A 85 -6.327 8.096 1.588 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.382 9.444 2.074 1.00 0.00 H new ATOM 1422 N LEU A 86 -8.255 8.410 -2.944 1.00 0.00 N ATOM 1423 CA LEU A 86 -9.113 8.252 -4.112 1.00 0.00 C ATOM 1424 C LEU A 86 -8.937 6.870 -4.733 1.00 0.00 C ATOM 1425 O LEU A 86 -7.967 6.174 -4.364 1.00 0.00 O ATOM 1426 CB LEU A 86 -8.802 9.333 -5.148 1.00 0.00 C ATOM 1427 CG LEU A 86 -9.509 10.672 -4.922 1.00 0.00 C ATOM 1428 CD1 LEU A 86 -8.605 11.827 -5.315 1.00 0.00 C ATOM 1429 CD2 LEU A 86 -10.814 10.722 -5.703 1.00 0.00 C ATOM 1430 OXT LEU A 86 -9.772 6.494 -5.583 1.00 0.00 O ATOM 0 H LEU A 86 -7.284 8.138 -3.095 1.00 0.00 H new ATOM 0 HA LEU A 86 -10.149 8.356 -3.788 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.726 9.505 -5.158 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -9.074 8.958 -6.135 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.739 10.766 -3.861 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.126 12.770 -5.147 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.698 11.801 -4.711 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.342 11.741 -6.369 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.304 11.680 -5.531 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.606 10.606 -6.767 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -11.468 9.916 -5.371 1.00 0.00 H new TER 1442 LEU A 86