USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=24 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 7 SER OG : rot -100:sc= 0.561 USER MOD Set 1.2: A 37 THR OG1 : rot -52:sc= -0.622 USER MOD Single : A 1 HIS : no HD1:sc=-0.00679 X(o=-0.0068,f=-0.0068) USER MOD Single : A 1 HIS N :NH3+ -120:sc= 0.034 (180deg=-0.00621) USER MOD Single : A 2 HIS : no HE2:sc= -0.115 K(o=-0.12,f=-0.98) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HE2:sc= -0.584 K(o=-0.58,f=-1.5) USER MOD Single : A 6 HIS : no HE2:sc= 0.312 K(o=0.31,f=-1.1) USER MOD Single : A 8 HIS : no HE2:sc= 0.441 K(o=0.44,f=-1.9!) USER MOD Single : A 9 MET CE :methyl -162:sc= -0.0119 (180deg=-0.429) USER MOD Single : A 13 THR OG1 : rot -130:sc= -0.0155 USER MOD Single : A 19 HIS : no HE2:sc= -2.37! K(o=-2.4!,f=-3) USER MOD Single : A 20 GLN : amide:sc= -0.243 X(o=-0.24,f=-0.016) USER MOD Single : A 21 THR OG1 : rot 47:sc= 0.25 USER MOD Single : A 22 LYS NZ :NH3+ -174:sc=-0.00074 (180deg=-0.0646) USER MOD Single : A 23 ASN : amide:sc= -0.0871 K(o=-0.087,f=-0.67) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.281 USER MOD Single : A 33 THR OG1 : rot 49:sc= 0.0809 USER MOD Single : A 38 THR OG1 : rot -158:sc= 0.133 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 176:sc= -0.245 (180deg=-0.286) USER MOD Single : A 52 HIS : no HD1:sc= -0.136 K(o=-0.14,f=-1.5) USER MOD Single : A 55 HIS : no HD1:sc= -0.38 X(o=-0.38,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 175:sc= 0.813 (180deg=0.736) USER MOD Single : A 66 SER OG : rot 170:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0.00842 USER MOD Single : A 70 THR OG1 : rot 130:sc= -0.235 USER MOD Single : A 74 GLN : amide:sc= 0.413 X(o=0.41,f=-0.022) USER MOD Single : A 76 SER OG : rot -41:sc= 0.141 USER MOD Single : A 77 GLN : amide:sc= 0.0114 X(o=0.011,f=-0.015) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 81 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0384) USER MOD Single : A 85 THR OG1 : rot 117:sc= 0.0584 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -9.725 -18.717 9.124 1.00 75.00 N ATOM 2 CA HIS A 1 -9.012 -19.087 7.878 1.00 75.00 C ATOM 3 C HIS A 1 -7.522 -19.318 8.170 1.00 75.00 C ATOM 4 O HIS A 1 -6.969 -18.745 9.122 1.00 75.00 O ATOM 5 CB HIS A 1 -9.187 -17.988 6.797 1.00 75.00 C ATOM 6 CG HIS A 1 -10.617 -17.709 6.405 1.00 75.00 C ATOM 7 ND1 HIS A 1 -11.338 -16.639 6.895 1.00 75.00 N ATOM 8 CD2 HIS A 1 -11.462 -18.368 5.572 1.00 75.00 C ATOM 9 CE1 HIS A 1 -12.552 -16.654 6.385 1.00 75.00 C ATOM 10 NE2 HIS A 1 -12.655 -17.690 5.581 1.00 75.00 N ATOM 0 H1 HIS A 1 -10.469 -19.417 9.319 1.00 75.00 H new ATOM 0 H2 HIS A 1 -9.052 -18.698 9.916 1.00 75.00 H new ATOM 0 H3 HIS A 1 -10.155 -17.777 9.012 1.00 75.00 H new ATOM 0 HA HIS A 1 -9.443 -20.012 7.496 1.00 75.00 H new ATOM 0 HB2 HIS A 1 -8.738 -17.064 7.162 1.00 75.00 H new ATOM 0 HB3 HIS A 1 -8.632 -18.282 5.906 1.00 75.00 H new ATOM 0 HD2 HIS A 1 -11.237 -19.260 5.007 1.00 75.00 H new ATOM 0 HE1 HIS A 1 -13.332 -15.936 6.592 1.00 75.00 H new ATOM 0 HE2 HIS A 1 -13.487 -17.948 5.050 1.00 75.00 H new ATOM 21 N HIS A 2 -6.880 -20.160 7.342 1.00 75.00 N ATOM 22 CA HIS A 2 -5.450 -20.491 7.461 1.00 75.00 C ATOM 23 C HIS A 2 -4.853 -20.733 6.062 1.00 75.00 C ATOM 24 O HIS A 2 -4.406 -21.837 5.712 1.00 75.00 O ATOM 25 CB HIS A 2 -5.224 -21.695 8.425 1.00 75.00 C ATOM 26 CG HIS A 2 -6.011 -22.948 8.108 1.00 75.00 C ATOM 27 ND1 HIS A 2 -5.568 -23.906 7.227 1.00 75.00 N ATOM 28 CD2 HIS A 2 -7.190 -23.407 8.584 1.00 75.00 C ATOM 29 CE1 HIS A 2 -6.424 -24.900 7.185 1.00 75.00 C ATOM 30 NE2 HIS A 2 -7.422 -24.623 8.000 1.00 75.00 N ATOM 0 H HIS A 2 -7.343 -20.633 6.566 1.00 75.00 H new ATOM 0 HA HIS A 2 -4.924 -19.646 7.906 1.00 75.00 H new ATOM 0 HB2 HIS A 2 -4.163 -21.944 8.422 1.00 75.00 H new ATOM 0 HB3 HIS A 2 -5.474 -21.378 9.437 1.00 75.00 H new ATOM 0 HD1 HIS A 2 -4.704 -23.852 6.687 1.00 75.00 H new ATOM 0 HD2 HIS A 2 -7.831 -22.906 9.294 1.00 75.00 H new ATOM 0 HE1 HIS A 2 -6.327 -25.793 6.585 1.00 75.00 H new ATOM 39 N HIS A 3 -4.896 -19.676 5.244 1.00 75.00 N ATOM 40 CA HIS A 3 -4.270 -19.660 3.914 1.00 75.00 C ATOM 41 C HIS A 3 -2.956 -18.876 3.993 1.00 75.00 C ATOM 42 O HIS A 3 -2.942 -17.711 4.402 1.00 75.00 O ATOM 43 CB HIS A 3 -5.224 -19.043 2.856 1.00 75.00 C ATOM 44 CG HIS A 3 -6.496 -19.823 2.630 1.00 75.00 C ATOM 45 ND1 HIS A 3 -7.658 -19.252 2.166 1.00 75.00 N ATOM 46 CD2 HIS A 3 -6.769 -21.142 2.780 1.00 75.00 C ATOM 47 CE1 HIS A 3 -8.587 -20.177 2.050 1.00 75.00 C ATOM 48 NE2 HIS A 3 -8.074 -21.333 2.417 1.00 75.00 N ATOM 0 H HIS A 3 -5.367 -18.804 5.485 1.00 75.00 H new ATOM 0 HA HIS A 3 -4.062 -20.683 3.601 1.00 75.00 H new ATOM 0 HB2 HIS A 3 -5.484 -18.031 3.166 1.00 75.00 H new ATOM 0 HB3 HIS A 3 -4.691 -18.960 1.909 1.00 75.00 H new ATOM 0 HD2 HIS A 3 -6.083 -21.902 3.123 1.00 75.00 H new ATOM 0 HE1 HIS A 3 -9.600 -20.015 1.711 1.00 75.00 H new ATOM 0 HE2 HIS A 3 -8.569 -22.225 2.429 1.00 75.00 H new ATOM 57 N HIS A 4 -1.851 -19.540 3.625 1.00 75.00 N ATOM 58 CA HIS A 4 -0.505 -18.954 3.647 1.00 75.00 C ATOM 59 C HIS A 4 0.153 -19.085 2.267 1.00 75.00 C ATOM 60 O HIS A 4 -0.195 -19.975 1.476 1.00 75.00 O ATOM 61 CB HIS A 4 0.370 -19.647 4.729 1.00 75.00 C ATOM 62 CG HIS A 4 0.624 -21.123 4.491 1.00 75.00 C ATOM 63 ND1 HIS A 4 -0.266 -22.106 4.862 1.00 75.00 N ATOM 64 CD2 HIS A 4 1.673 -21.776 3.919 1.00 75.00 C ATOM 65 CE1 HIS A 4 0.218 -23.287 4.539 1.00 75.00 C ATOM 66 NE2 HIS A 4 1.394 -23.114 3.967 1.00 75.00 N ATOM 0 H HIS A 4 -1.868 -20.507 3.301 1.00 75.00 H new ATOM 0 HA HIS A 4 -0.590 -17.896 3.895 1.00 75.00 H new ATOM 0 HB2 HIS A 4 1.329 -19.132 4.785 1.00 75.00 H new ATOM 0 HB3 HIS A 4 -0.113 -19.527 5.699 1.00 75.00 H new ATOM 0 HD2 HIS A 4 2.561 -21.322 3.504 1.00 75.00 H new ATOM 0 HE1 HIS A 4 -0.266 -24.237 4.713 1.00 75.00 H new ATOM 0 HE2 HIS A 4 1.998 -23.858 3.617 1.00 75.00 H new ATOM 75 N HIS A 5 1.087 -18.170 2.004 1.00 75.00 N ATOM 76 CA HIS A 5 2.020 -18.233 0.870 1.00 75.00 C ATOM 77 C HIS A 5 3.133 -17.201 1.104 1.00 75.00 C ATOM 78 O HIS A 5 3.042 -16.401 2.048 1.00 75.00 O ATOM 79 CB HIS A 5 1.307 -18.010 -0.498 1.00 75.00 C ATOM 80 CG HIS A 5 0.716 -16.639 -0.706 1.00 75.00 C ATOM 81 ND1 HIS A 5 1.217 -15.738 -1.617 1.00 75.00 N ATOM 82 CD2 HIS A 5 -0.354 -16.031 -0.140 1.00 75.00 C ATOM 83 CE1 HIS A 5 0.487 -14.648 -1.605 1.00 75.00 C ATOM 84 NE2 HIS A 5 -0.475 -14.796 -0.718 1.00 75.00 N ATOM 0 H HIS A 5 1.222 -17.343 2.586 1.00 75.00 H new ATOM 0 HA HIS A 5 2.449 -19.234 0.816 1.00 75.00 H new ATOM 0 HB2 HIS A 5 2.023 -18.203 -1.297 1.00 75.00 H new ATOM 0 HB3 HIS A 5 0.511 -18.748 -0.598 1.00 75.00 H new ATOM 0 HD1 HIS A 5 2.031 -15.894 -2.211 1.00 75.00 H new ATOM 0 HD2 HIS A 5 -0.994 -16.444 0.626 1.00 75.00 H new ATOM 0 HE1 HIS A 5 0.648 -13.775 -2.220 1.00 75.00 H new ATOM 93 N HIS A 6 4.192 -17.239 0.267 1.00 75.00 N ATOM 94 CA HIS A 6 5.314 -16.286 0.368 1.00 75.00 C ATOM 95 C HIS A 6 4.844 -14.856 0.018 1.00 75.00 C ATOM 96 O HIS A 6 4.825 -14.441 -1.145 1.00 75.00 O ATOM 97 CB HIS A 6 6.524 -16.724 -0.501 1.00 75.00 C ATOM 98 CG HIS A 6 7.170 -18.006 -0.037 1.00 75.00 C ATOM 99 ND1 HIS A 6 7.693 -18.158 1.230 1.00 75.00 N ATOM 100 CD2 HIS A 6 7.353 -19.201 -0.655 1.00 75.00 C ATOM 101 CE1 HIS A 6 8.162 -19.379 1.369 1.00 75.00 C ATOM 102 NE2 HIS A 6 7.967 -20.031 0.242 1.00 75.00 N ATOM 0 H HIS A 6 4.292 -17.920 -0.486 1.00 75.00 H new ATOM 0 HA HIS A 6 5.659 -16.283 1.402 1.00 75.00 H new ATOM 0 HB2 HIS A 6 6.194 -16.846 -1.533 1.00 75.00 H new ATOM 0 HB3 HIS A 6 7.270 -15.929 -0.497 1.00 75.00 H new ATOM 0 HD1 HIS A 6 7.713 -17.435 1.949 1.00 75.00 H new ATOM 0 HD2 HIS A 6 7.067 -19.450 -1.666 1.00 75.00 H new ATOM 0 HE1 HIS A 6 8.628 -19.779 2.257 1.00 75.00 H new ATOM 111 N SER A 7 4.388 -14.165 1.061 1.00 75.00 N ATOM 112 CA SER A 7 3.949 -12.771 1.027 1.00 75.00 C ATOM 113 C SER A 7 5.005 -11.900 1.723 1.00 75.00 C ATOM 114 O SER A 7 6.058 -12.402 2.105 1.00 75.00 O ATOM 115 CB SER A 7 2.570 -12.687 1.738 1.00 75.00 C ATOM 116 OG SER A 7 2.119 -11.356 1.896 1.00 75.00 O ATOM 0 H SER A 7 4.311 -14.578 1.991 1.00 75.00 H new ATOM 0 HA SER A 7 3.839 -12.408 0.005 1.00 75.00 H new ATOM 0 HB2 SER A 7 1.834 -13.250 1.163 1.00 75.00 H new ATOM 0 HB3 SER A 7 2.641 -13.161 2.717 1.00 75.00 H new ATOM 0 HG SER A 7 2.299 -11.056 2.811 1.00 75.00 H new ATOM 122 N HIS A 8 4.739 -10.595 1.854 1.00 50.00 N ATOM 123 CA HIS A 8 5.551 -9.703 2.693 1.00 50.00 C ATOM 124 C HIS A 8 4.998 -9.750 4.124 1.00 50.00 C ATOM 125 O HIS A 8 3.819 -10.103 4.315 1.00 50.00 O ATOM 126 CB HIS A 8 5.546 -8.261 2.116 1.00 50.00 C ATOM 127 CG HIS A 8 6.202 -8.133 0.755 1.00 50.00 C ATOM 128 ND1 HIS A 8 6.533 -6.923 0.193 1.00 75.00 N ATOM 129 CD2 HIS A 8 6.553 -9.070 -0.166 1.00 75.00 C ATOM 130 CE1 HIS A 8 7.052 -7.118 -0.998 1.00 75.00 C ATOM 131 NE2 HIS A 8 7.078 -8.407 -1.241 1.00 75.00 N ATOM 0 H HIS A 8 3.961 -10.130 1.386 1.00 50.00 H new ATOM 0 HA HIS A 8 6.590 -10.033 2.705 1.00 50.00 H new ATOM 0 HB2 HIS A 8 4.515 -7.914 2.044 1.00 50.00 H new ATOM 0 HB3 HIS A 8 6.056 -7.600 2.816 1.00 50.00 H new ATOM 0 HD1 HIS A 8 6.397 -6.013 0.633 1.00 75.00 H new ATOM 0 HD2 HIS A 8 6.438 -10.139 -0.067 1.00 75.00 H new ATOM 0 HE1 HIS A 8 7.400 -6.345 -1.667 1.00 75.00 H new ATOM 140 N MET A 9 5.860 -9.432 5.112 1.00 10.00 N ATOM 141 CA MET A 9 5.526 -9.529 6.552 1.00 10.00 C ATOM 142 C MET A 9 4.306 -8.645 6.899 1.00 10.00 C ATOM 143 O MET A 9 4.150 -7.555 6.334 1.00 50.00 O ATOM 144 CB MET A 9 6.753 -9.147 7.439 1.00 50.00 C ATOM 145 CG MET A 9 7.225 -7.687 7.311 1.00 50.00 C ATOM 146 SD MET A 9 8.657 -7.312 8.347 1.00 50.00 S ATOM 147 CE MET A 9 8.864 -5.557 8.036 1.00 75.00 C ATOM 0 H MET A 9 6.808 -9.100 4.936 1.00 10.00 H new ATOM 0 HA MET A 9 5.265 -10.566 6.763 1.00 10.00 H new ATOM 0 HB2 MET A 9 6.502 -9.341 8.482 1.00 50.00 H new ATOM 0 HB3 MET A 9 7.584 -9.804 7.184 1.00 50.00 H new ATOM 0 HG2 MET A 9 7.474 -7.482 6.270 1.00 50.00 H new ATOM 0 HG3 MET A 9 6.405 -7.021 7.580 1.00 50.00 H new ATOM 0 HE1 MET A 9 9.866 -5.250 8.335 1.00 75.00 H new ATOM 0 HE2 MET A 9 8.725 -5.357 6.974 1.00 75.00 H new ATOM 0 HE3 MET A 9 8.127 -4.996 8.611 1.00 75.00 H new ATOM 157 N VAL A 10 3.425 -9.159 7.795 1.00 10.00 N ATOM 158 CA VAL A 10 2.273 -8.389 8.307 1.00 10.00 C ATOM 159 C VAL A 10 2.810 -7.144 9.054 1.00 10.00 C ATOM 160 O VAL A 10 3.418 -7.264 10.118 1.00 50.00 O ATOM 161 CB VAL A 10 1.323 -9.274 9.229 1.00 50.00 C ATOM 162 CG1 VAL A 10 0.665 -10.422 8.432 1.00 50.00 C ATOM 163 CG2 VAL A 10 2.060 -9.851 10.459 1.00 50.00 C ATOM 0 H VAL A 10 3.495 -10.103 8.175 1.00 10.00 H new ATOM 0 HA VAL A 10 1.652 -8.070 7.470 1.00 10.00 H new ATOM 0 HB VAL A 10 0.545 -8.600 9.588 1.00 50.00 H new ATOM 0 HG11 VAL A 10 0.024 -11.004 9.094 1.00 50.00 H new ATOM 0 HG12 VAL A 10 0.067 -10.006 7.621 1.00 50.00 H new ATOM 0 HG13 VAL A 10 1.439 -11.067 8.017 1.00 50.00 H new ATOM 0 HG21 VAL A 10 1.366 -10.446 11.053 1.00 50.00 H new ATOM 0 HG22 VAL A 10 2.885 -10.481 10.126 1.00 50.00 H new ATOM 0 HG23 VAL A 10 2.449 -9.034 11.066 1.00 50.00 H new ATOM 173 N GLY A 11 2.632 -5.953 8.462 1.00 10.00 N ATOM 174 CA GLY A 11 3.288 -4.743 8.960 1.00 10.00 C ATOM 175 C GLY A 11 4.255 -4.114 7.984 1.00 10.00 C ATOM 176 O GLY A 11 5.042 -3.243 8.398 1.00 50.00 O ATOM 0 H GLY A 11 2.042 -5.806 7.643 1.00 10.00 H new ATOM 0 HA2 GLY A 11 2.524 -4.010 9.220 1.00 10.00 H new ATOM 0 HA3 GLY A 11 3.823 -4.985 9.878 1.00 10.00 H new ATOM 180 N ASP A 12 4.242 -4.571 6.706 1.00 10.00 N ATOM 181 CA ASP A 12 5.128 -4.008 5.664 1.00 10.00 C ATOM 182 C ASP A 12 4.829 -2.496 5.495 1.00 10.00 C ATOM 183 O ASP A 12 3.749 -2.119 5.015 1.00 50.00 O ATOM 184 CB ASP A 12 4.937 -4.749 4.316 1.00 50.00 C ATOM 185 CG ASP A 12 5.929 -4.356 3.192 1.00 50.00 C ATOM 186 OD1 ASP A 12 6.872 -3.570 3.420 1.00 50.00 O ATOM 187 OD2 ASP A 12 5.729 -4.813 2.051 1.00 50.00 O ATOM 0 H ASP A 12 3.633 -5.320 6.378 1.00 10.00 H new ATOM 0 HA ASP A 12 6.164 -4.140 5.975 1.00 10.00 H new ATOM 0 HB2 ASP A 12 5.024 -5.821 4.495 1.00 50.00 H new ATOM 0 HB3 ASP A 12 3.923 -4.566 3.962 1.00 50.00 H new ATOM 192 N THR A 13 5.789 -1.652 5.916 1.00 10.00 N ATOM 193 CA THR A 13 5.622 -0.196 5.931 1.00 10.00 C ATOM 194 C THR A 13 5.707 0.347 4.500 1.00 10.00 C ATOM 195 O THR A 13 6.773 0.331 3.874 1.00 50.00 O ATOM 196 CB THR A 13 6.687 0.486 6.838 1.00 50.00 C ATOM 197 OG1 THR A 13 6.597 -0.074 8.161 1.00 50.00 O ATOM 198 CG2 THR A 13 6.503 2.022 6.904 1.00 50.00 C ATOM 0 H THR A 13 6.699 -1.965 6.254 1.00 10.00 H new ATOM 0 HA THR A 13 4.641 0.035 6.346 1.00 10.00 H new ATOM 0 HB THR A 13 7.671 0.299 6.407 1.00 50.00 H new ATOM 0 HG1 THR A 13 6.550 0.650 8.820 1.00 50.00 H new ATOM 0 HG21 THR A 13 7.269 2.453 7.549 1.00 50.00 H new ATOM 0 HG22 THR A 13 6.593 2.443 5.902 1.00 50.00 H new ATOM 0 HG23 THR A 13 5.517 2.253 7.308 1.00 50.00 H new ATOM 206 N VAL A 14 4.549 0.777 3.999 1.00 10.00 N ATOM 207 CA VAL A 14 4.361 1.283 2.636 1.00 10.00 C ATOM 208 C VAL A 14 3.590 2.612 2.678 1.00 10.00 C ATOM 209 O VAL A 14 3.101 3.046 3.732 1.00 50.00 O ATOM 210 CB VAL A 14 3.559 0.253 1.744 1.00 50.00 C ATOM 211 CG1 VAL A 14 4.309 -1.094 1.605 1.00 50.00 C ATOM 212 CG2 VAL A 14 2.123 0.040 2.292 1.00 50.00 C ATOM 0 H VAL A 14 3.688 0.784 4.546 1.00 10.00 H new ATOM 0 HA VAL A 14 5.347 1.431 2.196 1.00 10.00 H new ATOM 0 HB VAL A 14 3.479 0.683 0.745 1.00 50.00 H new ATOM 0 HG11 VAL A 14 3.724 -1.774 0.985 1.00 50.00 H new ATOM 0 HG12 VAL A 14 5.280 -0.923 1.140 1.00 50.00 H new ATOM 0 HG13 VAL A 14 4.451 -1.535 2.592 1.00 50.00 H new ATOM 0 HG21 VAL A 14 1.594 -0.673 1.659 1.00 50.00 H new ATOM 0 HG22 VAL A 14 2.176 -0.347 3.310 1.00 50.00 H new ATOM 0 HG23 VAL A 14 1.589 0.990 2.293 1.00 50.00 H new ATOM 222 N TRP A 15 3.489 3.237 1.511 1.00 10.00 N ATOM 223 CA TRP A 15 2.658 4.414 1.267 1.00 10.00 C ATOM 224 C TRP A 15 1.628 4.052 0.188 1.00 10.00 C ATOM 225 O TRP A 15 1.879 3.161 -0.636 1.00 50.00 O ATOM 226 CB TRP A 15 3.537 5.614 0.803 1.00 50.00 C ATOM 227 CG TRP A 15 4.546 6.109 1.829 1.00 50.00 C ATOM 228 CD1 TRP A 15 4.454 6.026 3.194 1.00 50.00 C ATOM 229 CD2 TRP A 15 5.782 6.800 1.564 1.00 50.00 C ATOM 230 NE1 TRP A 15 5.545 6.603 3.780 1.00 50.00 N ATOM 231 CE2 TRP A 15 6.374 7.088 2.807 1.00 50.00 C ATOM 232 CE3 TRP A 15 6.444 7.198 0.401 1.00 50.00 C ATOM 233 CZ2 TRP A 15 7.592 7.758 2.922 1.00 50.00 C ATOM 234 CZ3 TRP A 15 7.654 7.863 0.514 1.00 50.00 C ATOM 235 CH2 TRP A 15 8.217 8.137 1.767 1.00 50.00 C ATOM 0 H TRP A 15 3.998 2.931 0.682 1.00 10.00 H new ATOM 0 HA TRP A 15 2.150 4.712 2.184 1.00 10.00 H new ATOM 0 HB2 TRP A 15 4.073 5.324 -0.100 1.00 50.00 H new ATOM 0 HB3 TRP A 15 2.881 6.442 0.532 1.00 50.00 H new ATOM 0 HD1 TRP A 15 3.635 5.569 3.730 1.00 50.00 H new ATOM 0 HE1 TRP A 15 5.714 6.662 4.784 1.00 50.00 H new ATOM 0 HE3 TRP A 15 6.020 6.991 -0.570 1.00 50.00 H new ATOM 0 HZ2 TRP A 15 8.025 7.970 3.888 1.00 50.00 H new ATOM 0 HZ3 TRP A 15 8.173 8.176 -0.380 1.00 50.00 H new ATOM 0 HH2 TRP A 15 9.162 8.657 1.821 1.00 50.00 H new ATOM 246 N VAL A 16 0.485 4.749 0.181 1.00 10.00 N ATOM 247 CA VAL A 16 -0.558 4.577 -0.838 1.00 10.00 C ATOM 248 C VAL A 16 -0.521 5.797 -1.769 1.00 10.00 C ATOM 249 O VAL A 16 -0.847 6.932 -1.385 1.00 50.00 O ATOM 250 CB VAL A 16 -1.993 4.366 -0.215 1.00 50.00 C ATOM 251 CG1 VAL A 16 -3.122 4.487 -1.279 1.00 50.00 C ATOM 252 CG2 VAL A 16 -2.068 2.989 0.489 1.00 50.00 C ATOM 0 H VAL A 16 0.257 5.451 0.885 1.00 10.00 H new ATOM 0 HA VAL A 16 -0.354 3.667 -1.402 1.00 10.00 H new ATOM 0 HB VAL A 16 -2.151 5.160 0.515 1.00 50.00 H new ATOM 0 HG11 VAL A 16 -4.090 4.334 -0.802 1.00 50.00 H new ATOM 0 HG12 VAL A 16 -3.092 5.479 -1.730 1.00 50.00 H new ATOM 0 HG13 VAL A 16 -2.976 3.733 -2.052 1.00 50.00 H new ATOM 0 HG21 VAL A 16 -3.062 2.852 0.916 1.00 50.00 H new ATOM 0 HG22 VAL A 16 -1.872 2.199 -0.236 1.00 50.00 H new ATOM 0 HG23 VAL A 16 -1.323 2.945 1.283 1.00 50.00 H new ATOM 262 N ARG A 17 -0.038 5.500 -2.973 1.00 10.00 N ATOM 263 CA ARG A 17 0.163 6.414 -4.089 1.00 10.00 C ATOM 264 C ARG A 17 -1.179 6.588 -4.832 1.00 10.00 C ATOM 265 O ARG A 17 -1.540 5.789 -5.702 1.00 50.00 O ATOM 266 CB ARG A 17 1.253 5.746 -4.973 1.00 50.00 C ATOM 267 CG ARG A 17 1.672 6.459 -6.274 1.00 50.00 C ATOM 268 CD ARG A 17 2.594 5.544 -7.108 1.00 50.00 C ATOM 269 NE ARG A 17 3.116 6.171 -8.327 1.00 50.00 N ATOM 270 CZ ARG A 17 3.674 5.496 -9.350 1.00 50.00 C ATOM 271 NH1 ARG A 17 3.777 4.166 -9.317 1.00 75.00 N ATOM 272 NH2 ARG A 17 4.169 6.155 -10.381 1.00 75.00 N ATOM 0 H ARG A 17 0.242 4.548 -3.208 1.00 10.00 H new ATOM 0 HA ARG A 17 0.486 7.411 -3.789 1.00 10.00 H new ATOM 0 HB2 ARG A 17 2.146 5.618 -4.361 1.00 50.00 H new ATOM 0 HB3 ARG A 17 0.902 4.749 -5.238 1.00 50.00 H new ATOM 0 HG2 ARG A 17 0.788 6.723 -6.854 1.00 50.00 H new ATOM 0 HG3 ARG A 17 2.188 7.390 -6.038 1.00 50.00 H new ATOM 0 HD2 ARG A 17 3.432 5.228 -6.487 1.00 50.00 H new ATOM 0 HD3 ARG A 17 2.043 4.644 -7.382 1.00 50.00 H new ATOM 0 HE ARG A 17 3.052 7.186 -8.405 1.00 50.00 H new ATOM 0 HH11 ARG A 17 3.431 3.648 -8.510 1.00 75.00 H new ATOM 0 HH12 ARG A 17 4.202 3.668 -10.099 1.00 75.00 H new ATOM 0 HH21 ARG A 17 4.129 7.174 -10.402 1.00 75.00 H new ATOM 0 HH22 ARG A 17 4.592 5.645 -11.157 1.00 75.00 H new ATOM 286 N ARG A 18 -1.948 7.610 -4.442 1.00 10.00 N ATOM 287 CA ARG A 18 -3.329 7.796 -4.919 1.00 10.00 C ATOM 288 C ARG A 18 -3.652 9.293 -5.064 1.00 10.00 C ATOM 289 O ARG A 18 -3.118 10.125 -4.323 1.00 50.00 O ATOM 290 CB ARG A 18 -4.315 7.105 -3.934 1.00 50.00 C ATOM 291 CG ARG A 18 -5.799 7.224 -4.335 1.00 50.00 C ATOM 292 CD ARG A 18 -6.770 6.568 -3.343 1.00 50.00 C ATOM 293 NE ARG A 18 -8.168 6.896 -3.664 1.00 75.00 N ATOM 294 CZ ARG A 18 -9.200 6.818 -2.812 1.00 75.00 C ATOM 295 NH1 ARG A 18 -9.028 6.416 -1.559 1.00 75.00 N ATOM 296 NH2 ARG A 18 -10.399 7.180 -3.209 1.00 75.00 N ATOM 0 H ARG A 18 -1.636 8.330 -3.790 1.00 10.00 H new ATOM 0 HA ARG A 18 -3.436 7.337 -5.902 1.00 10.00 H new ATOM 0 HB2 ARG A 18 -4.055 6.049 -3.858 1.00 50.00 H new ATOM 0 HB3 ARG A 18 -4.183 7.538 -2.942 1.00 50.00 H new ATOM 0 HG2 ARG A 18 -6.054 8.279 -4.433 1.00 50.00 H new ATOM 0 HG3 ARG A 18 -5.937 6.770 -5.316 1.00 50.00 H new ATOM 0 HD2 ARG A 18 -6.635 5.487 -3.361 1.00 50.00 H new ATOM 0 HD3 ARG A 18 -6.539 6.902 -2.331 1.00 50.00 H new ATOM 0 HE ARG A 18 -8.369 7.209 -4.614 1.00 75.00 H new ATOM 0 HH11 ARG A 18 -8.098 6.160 -1.229 1.00 75.00 H new ATOM 0 HH12 ARG A 18 -9.826 6.363 -0.926 1.00 75.00 H new ATOM 0 HH21 ARG A 18 -10.541 7.518 -4.161 1.00 75.00 H new ATOM 0 HH22 ARG A 18 -11.188 7.123 -2.565 1.00 75.00 H new ATOM 310 N HIS A 19 -4.526 9.626 -6.026 1.00 50.00 N ATOM 311 CA HIS A 19 -4.947 11.007 -6.279 1.00 50.00 C ATOM 312 C HIS A 19 -6.321 11.008 -6.956 1.00 50.00 C ATOM 313 O HIS A 19 -6.561 10.197 -7.861 1.00 75.00 O ATOM 314 CB HIS A 19 -3.898 11.716 -7.175 1.00 75.00 C ATOM 315 CG HIS A 19 -4.004 13.212 -7.197 1.00 75.00 C ATOM 316 ND1 HIS A 19 -4.763 13.899 -8.102 1.00 75.00 N ATOM 317 CD2 HIS A 19 -3.445 14.144 -6.398 1.00 75.00 C ATOM 318 CE1 HIS A 19 -4.681 15.184 -7.848 1.00 75.00 C ATOM 319 NE2 HIS A 19 -3.885 15.358 -6.818 1.00 75.00 N ATOM 0 H HIS A 19 -4.959 8.944 -6.649 1.00 50.00 H new ATOM 0 HA HIS A 19 -5.021 11.547 -5.335 1.00 50.00 H new ATOM 0 HB2 HIS A 19 -2.901 11.441 -6.832 1.00 75.00 H new ATOM 0 HB3 HIS A 19 -3.999 11.343 -8.194 1.00 75.00 H new ATOM 0 HD1 HIS A 19 -5.307 13.479 -8.856 1.00 75.00 H new ATOM 0 HD2 HIS A 19 -2.771 13.959 -5.575 1.00 75.00 H new ATOM 0 HE1 HIS A 19 -5.184 15.968 -8.395 1.00 75.00 H new ATOM 328 N GLN A 20 -7.214 11.911 -6.505 1.00 75.00 N ATOM 329 CA GLN A 20 -8.521 12.145 -7.155 1.00 75.00 C ATOM 330 C GLN A 20 -8.285 12.643 -8.593 1.00 75.00 C ATOM 331 O GLN A 20 -7.345 13.413 -8.822 1.00 75.00 O ATOM 332 CB GLN A 20 -9.360 13.183 -6.355 1.00 75.00 C ATOM 333 CG GLN A 20 -9.639 12.797 -4.883 1.00 75.00 C ATOM 334 CD GLN A 20 -10.385 11.461 -4.701 1.00 75.00 C ATOM 335 OE1 GLN A 20 -10.184 10.761 -3.711 1.00 75.00 O ATOM 336 NE2 GLN A 20 -11.291 11.117 -5.616 1.00 75.00 N ATOM 0 H GLN A 20 -7.052 12.496 -5.685 1.00 75.00 H new ATOM 0 HA GLN A 20 -9.081 11.210 -7.177 1.00 75.00 H new ATOM 0 HB2 GLN A 20 -8.839 14.140 -6.372 1.00 75.00 H new ATOM 0 HB3 GLN A 20 -10.313 13.329 -6.864 1.00 75.00 H new ATOM 0 HG2 GLN A 20 -8.690 12.744 -4.349 1.00 75.00 H new ATOM 0 HG3 GLN A 20 -10.223 13.591 -4.417 1.00 75.00 H new ATOM 0 HE21 GLN A 20 -11.444 11.711 -6.431 1.00 75.00 H new ATOM 0 HE22 GLN A 20 -11.832 10.260 -5.501 1.00 75.00 H new ATOM 345 N THR A 21 -9.130 12.201 -9.545 1.00 75.00 N ATOM 346 CA THR A 21 -8.920 12.452 -10.987 1.00 75.00 C ATOM 347 C THR A 21 -9.047 13.963 -11.322 1.00 75.00 C ATOM 348 O THR A 21 -10.129 14.470 -11.634 1.00 75.00 O ATOM 349 CB THR A 21 -9.927 11.592 -11.835 1.00 75.00 C ATOM 350 OG1 THR A 21 -11.277 11.841 -11.400 1.00 75.00 O ATOM 351 CG2 THR A 21 -9.634 10.084 -11.714 1.00 75.00 C ATOM 0 H THR A 21 -9.972 11.663 -9.340 1.00 75.00 H new ATOM 0 HA THR A 21 -7.905 12.151 -11.246 1.00 75.00 H new ATOM 0 HB THR A 21 -9.806 11.885 -12.878 1.00 75.00 H new ATOM 0 HG1 THR A 21 -11.423 12.807 -11.323 1.00 75.00 H new ATOM 0 HG21 THR A 21 -10.351 9.525 -12.314 1.00 75.00 H new ATOM 0 HG22 THR A 21 -8.625 9.880 -12.071 1.00 75.00 H new ATOM 0 HG23 THR A 21 -9.718 9.780 -10.671 1.00 75.00 H new ATOM 359 N LYS A 22 -7.919 14.679 -11.152 1.00 75.00 N ATOM 360 CA LYS A 22 -7.773 16.120 -11.460 1.00 75.00 C ATOM 361 C LYS A 22 -6.778 16.336 -12.626 1.00 75.00 C ATOM 362 O LYS A 22 -6.435 17.478 -12.938 1.00 75.00 O ATOM 363 CB LYS A 22 -7.282 16.878 -10.191 1.00 75.00 C ATOM 364 CG LYS A 22 -8.211 16.756 -8.962 1.00 75.00 C ATOM 365 CD LYS A 22 -7.645 17.491 -7.720 1.00 75.00 C ATOM 366 CE LYS A 22 -8.569 17.385 -6.496 1.00 75.00 C ATOM 367 NZ LYS A 22 -9.897 18.023 -6.735 1.00 75.00 N ATOM 0 H LYS A 22 -7.061 14.264 -10.788 1.00 75.00 H new ATOM 0 HA LYS A 22 -8.744 16.512 -11.764 1.00 75.00 H new ATOM 0 HB2 LYS A 22 -6.295 16.504 -9.921 1.00 75.00 H new ATOM 0 HB3 LYS A 22 -7.166 17.933 -10.438 1.00 75.00 H new ATOM 0 HG2 LYS A 22 -9.191 17.165 -9.208 1.00 75.00 H new ATOM 0 HG3 LYS A 22 -8.357 15.703 -8.723 1.00 75.00 H new ATOM 0 HD2 LYS A 22 -6.669 17.075 -7.470 1.00 75.00 H new ATOM 0 HD3 LYS A 22 -7.491 18.542 -7.964 1.00 75.00 H new ATOM 0 HE2 LYS A 22 -8.713 16.335 -6.241 1.00 75.00 H new ATOM 0 HE3 LYS A 22 -8.090 17.858 -5.639 1.00 75.00 H new ATOM 0 HZ1 LYS A 22 -10.448 18.018 -5.853 1.00 75.00 H new ATOM 0 HZ2 LYS A 22 -9.759 19.004 -7.051 1.00 75.00 H new ATOM 0 HZ3 LYS A 22 -10.410 17.492 -7.467 1.00 75.00 H new ATOM 381 N ASN A 23 -6.287 15.212 -13.210 1.00 75.00 N ATOM 382 CA ASN A 23 -5.182 15.176 -14.219 1.00 75.00 C ATOM 383 C ASN A 23 -3.804 15.528 -13.579 1.00 50.00 C ATOM 384 O ASN A 23 -2.772 15.590 -14.265 1.00 50.00 O ATOM 385 CB ASN A 23 -5.504 16.065 -15.466 1.00 50.00 C ATOM 386 CG ASN A 23 -4.564 15.839 -16.667 1.00 75.00 C ATOM 387 OD1 ASN A 23 -4.066 14.733 -16.885 1.00 75.00 O ATOM 388 ND2 ASN A 23 -4.345 16.876 -17.468 1.00 75.00 N ATOM 0 H ASN A 23 -6.651 14.285 -12.992 1.00 75.00 H new ATOM 0 HA ASN A 23 -5.106 14.150 -14.580 1.00 75.00 H new ATOM 0 HB2 ASN A 23 -6.529 15.871 -15.781 1.00 50.00 H new ATOM 0 HB3 ASN A 23 -5.454 17.114 -15.173 1.00 50.00 H new ATOM 0 HD21 ASN A 23 -3.750 16.769 -18.290 1.00 75.00 H new ATOM 0 HD22 ASN A 23 -4.771 17.779 -17.261 1.00 75.00 H new ATOM 395 N LEU A 24 -3.791 15.698 -12.243 1.00 10.00 N ATOM 396 CA LEU A 24 -2.580 16.024 -11.466 1.00 50.00 C ATOM 397 C LEU A 24 -1.930 14.716 -10.947 1.00 50.00 C ATOM 398 O LEU A 24 -2.612 13.686 -10.838 1.00 50.00 O ATOM 399 CB LEU A 24 -2.954 16.971 -10.293 1.00 50.00 C ATOM 400 CG LEU A 24 -3.753 18.261 -10.664 1.00 75.00 C ATOM 401 CD1 LEU A 24 -4.128 19.072 -9.403 1.00 75.00 C ATOM 402 CD2 LEU A 24 -2.986 19.129 -11.681 1.00 75.00 C ATOM 0 H LEU A 24 -4.629 15.612 -11.668 1.00 10.00 H new ATOM 0 HA LEU A 24 -1.857 16.536 -12.100 1.00 50.00 H new ATOM 0 HB2 LEU A 24 -3.540 16.403 -9.570 1.00 50.00 H new ATOM 0 HB3 LEU A 24 -2.034 17.272 -9.792 1.00 50.00 H new ATOM 0 HG LEU A 24 -4.681 17.944 -11.140 1.00 75.00 H new ATOM 0 HD11 LEU A 24 -4.683 19.963 -9.695 1.00 75.00 H new ATOM 0 HD12 LEU A 24 -4.746 18.459 -8.746 1.00 75.00 H new ATOM 0 HD13 LEU A 24 -3.220 19.366 -8.876 1.00 75.00 H new ATOM 0 HD21 LEU A 24 -3.572 20.018 -11.916 1.00 75.00 H new ATOM 0 HD22 LEU A 24 -2.028 19.428 -11.255 1.00 75.00 H new ATOM 0 HD23 LEU A 24 -2.815 18.556 -12.592 1.00 75.00 H new ATOM 414 N GLU A 25 -0.624 14.776 -10.621 1.00 50.00 N ATOM 415 CA GLU A 25 0.212 13.585 -10.301 1.00 10.00 C ATOM 416 C GLU A 25 -0.273 12.841 -9.012 1.00 10.00 C ATOM 417 O GLU A 25 -0.755 13.492 -8.079 1.00 50.00 O ATOM 418 CB GLU A 25 1.698 14.018 -10.143 1.00 50.00 C ATOM 419 CG GLU A 25 2.271 14.782 -11.363 1.00 50.00 C ATOM 420 CD GLU A 25 3.752 15.187 -11.192 1.00 75.00 C ATOM 421 OE1 GLU A 25 4.040 16.082 -10.368 1.00 75.00 O ATOM 422 OE2 GLU A 25 4.631 14.606 -11.861 1.00 75.00 O ATOM 0 H GLU A 25 -0.109 15.655 -10.570 1.00 50.00 H new ATOM 0 HA GLU A 25 0.114 12.883 -11.129 1.00 10.00 H new ATOM 0 HB2 GLU A 25 1.789 14.649 -9.259 1.00 50.00 H new ATOM 0 HB3 GLU A 25 2.306 13.131 -9.966 1.00 50.00 H new ATOM 0 HG2 GLU A 25 2.173 14.159 -12.252 1.00 50.00 H new ATOM 0 HG3 GLU A 25 1.674 15.678 -11.534 1.00 50.00 H new ATOM 429 N PRO A 26 -0.147 11.457 -8.951 1.00 10.00 N ATOM 430 CA PRO A 26 -0.559 10.650 -7.765 1.00 50.00 C ATOM 431 C PRO A 26 0.234 11.015 -6.484 1.00 10.00 C ATOM 432 O PRO A 26 1.460 11.153 -6.526 1.00 50.00 O ATOM 433 CB PRO A 26 -0.322 9.178 -8.213 1.00 50.00 C ATOM 434 CG PRO A 26 0.673 9.272 -9.335 1.00 50.00 C ATOM 435 CD PRO A 26 0.374 10.583 -10.038 1.00 50.00 C ATOM 0 HA PRO A 26 -1.595 10.837 -7.483 1.00 50.00 H new ATOM 0 HB2 PRO A 26 0.063 8.572 -7.393 1.00 50.00 H new ATOM 0 HB3 PRO A 26 -1.250 8.712 -8.545 1.00 50.00 H new ATOM 0 HG2 PRO A 26 1.695 9.255 -8.955 1.00 50.00 H new ATOM 0 HG3 PRO A 26 0.573 8.429 -10.019 1.00 50.00 H new ATOM 0 HD2 PRO A 26 1.269 11.004 -10.496 1.00 50.00 H new ATOM 0 HD3 PRO A 26 -0.360 10.452 -10.833 1.00 50.00 H new ATOM 443 N ARG A 27 -0.489 11.162 -5.353 1.00 10.00 N ATOM 444 CA ARG A 27 0.074 11.666 -4.082 1.00 10.00 C ATOM 445 C ARG A 27 0.134 10.540 -3.037 1.00 10.00 C ATOM 446 O ARG A 27 -0.858 9.844 -2.809 1.00 50.00 O ATOM 447 CB ARG A 27 -0.788 12.843 -3.556 1.00 50.00 C ATOM 448 CG ARG A 27 -0.274 13.507 -2.256 1.00 50.00 C ATOM 449 CD ARG A 27 -1.129 14.710 -1.822 1.00 50.00 C ATOM 450 NE ARG A 27 -1.206 15.755 -2.870 1.00 50.00 N ATOM 451 CZ ARG A 27 -1.050 17.077 -2.680 1.00 75.00 C ATOM 452 NH1 ARG A 27 -0.799 17.575 -1.469 1.00 75.00 N ATOM 453 NH2 ARG A 27 -1.157 17.895 -3.714 1.00 75.00 N ATOM 0 H ARG A 27 -1.482 10.934 -5.296 1.00 10.00 H new ATOM 0 HA ARG A 27 1.089 12.021 -4.262 1.00 10.00 H new ATOM 0 HB2 ARG A 27 -0.849 13.604 -4.334 1.00 50.00 H new ATOM 0 HB3 ARG A 27 -1.802 12.481 -3.384 1.00 50.00 H new ATOM 0 HG2 ARG A 27 -0.263 12.767 -1.456 1.00 50.00 H new ATOM 0 HG3 ARG A 27 0.756 13.833 -2.403 1.00 50.00 H new ATOM 0 HD2 ARG A 27 -2.135 14.368 -1.579 1.00 50.00 H new ATOM 0 HD3 ARG A 27 -0.710 15.141 -0.913 1.00 50.00 H new ATOM 0 HE ARG A 27 -1.395 15.443 -3.823 1.00 50.00 H new ATOM 0 HH11 ARG A 27 -0.722 16.950 -0.666 1.00 75.00 H new ATOM 0 HH12 ARG A 27 -0.684 18.581 -1.345 1.00 75.00 H new ATOM 0 HH21 ARG A 27 -1.356 17.521 -4.642 1.00 75.00 H new ATOM 0 HH22 ARG A 27 -1.041 18.900 -3.583 1.00 75.00 H new ATOM 467 N TRP A 28 1.298 10.379 -2.394 1.00 10.00 N ATOM 468 CA TRP A 28 1.496 9.347 -1.364 1.00 10.00 C ATOM 469 C TRP A 28 0.885 9.790 -0.020 1.00 10.00 C ATOM 470 O TRP A 28 0.889 10.980 0.317 1.00 50.00 O ATOM 471 CB TRP A 28 3.006 9.021 -1.193 1.00 50.00 C ATOM 472 CG TRP A 28 3.854 10.170 -0.669 1.00 50.00 C ATOM 473 CD1 TRP A 28 4.398 11.190 -1.398 1.00 50.00 C ATOM 474 CD2 TRP A 28 4.259 10.404 0.697 1.00 50.00 C ATOM 475 NE1 TRP A 28 5.128 12.018 -0.585 1.00 50.00 N ATOM 476 CE2 TRP A 28 5.054 11.560 0.705 1.00 50.00 C ATOM 477 CE3 TRP A 28 4.025 9.740 1.906 1.00 50.00 C ATOM 478 CZ2 TRP A 28 5.624 12.066 1.869 1.00 50.00 C ATOM 479 CZ3 TRP A 28 4.586 10.243 3.063 1.00 50.00 C ATOM 480 CH2 TRP A 28 5.380 11.396 3.038 1.00 50.00 C ATOM 0 H TRP A 28 2.122 10.953 -2.570 1.00 10.00 H new ATOM 0 HA TRP A 28 0.984 8.442 -1.692 1.00 10.00 H new ATOM 0 HB2 TRP A 28 3.105 8.175 -0.512 1.00 50.00 H new ATOM 0 HB3 TRP A 28 3.406 8.704 -2.156 1.00 50.00 H new ATOM 0 HD1 TRP A 28 4.271 11.324 -2.462 1.00 50.00 H new ATOM 0 HE1 TRP A 28 5.644 12.843 -0.891 1.00 50.00 H new ATOM 0 HE3 TRP A 28 3.416 8.849 1.934 1.00 50.00 H new ATOM 0 HZ2 TRP A 28 6.237 12.955 1.851 1.00 50.00 H new ATOM 0 HZ3 TRP A 28 4.410 9.739 4.002 1.00 50.00 H new ATOM 0 HH2 TRP A 28 5.808 11.764 3.959 1.00 50.00 H new ATOM 491 N LYS A 29 0.323 8.824 0.710 1.00 10.00 N ATOM 492 CA LYS A 29 -0.018 8.968 2.145 1.00 10.00 C ATOM 493 C LYS A 29 0.545 7.754 2.886 1.00 10.00 C ATOM 494 O LYS A 29 0.665 6.686 2.293 1.00 50.00 O ATOM 495 CB LYS A 29 -1.549 9.036 2.374 1.00 50.00 C ATOM 496 CG LYS A 29 -2.274 10.208 1.678 1.00 50.00 C ATOM 497 CD LYS A 29 -3.787 10.238 2.004 1.00 50.00 C ATOM 498 CE LYS A 29 -4.509 8.926 1.640 1.00 50.00 C ATOM 499 NZ LYS A 29 -4.394 8.597 0.193 1.00 75.00 N ATOM 0 H LYS A 29 0.086 7.909 0.328 1.00 10.00 H new ATOM 0 HA LYS A 29 0.411 9.899 2.515 1.00 10.00 H new ATOM 0 HB2 LYS A 29 -1.992 8.102 2.029 1.00 50.00 H new ATOM 0 HB3 LYS A 29 -1.736 9.101 3.446 1.00 50.00 H new ATOM 0 HG2 LYS A 29 -1.819 11.149 1.987 1.00 50.00 H new ATOM 0 HG3 LYS A 29 -2.138 10.127 0.599 1.00 50.00 H new ATOM 0 HD2 LYS A 29 -3.920 10.436 3.068 1.00 50.00 H new ATOM 0 HD3 LYS A 29 -4.252 11.064 1.466 1.00 50.00 H new ATOM 0 HE2 LYS A 29 -4.092 8.110 2.230 1.00 50.00 H new ATOM 0 HE3 LYS A 29 -5.562 9.008 1.909 1.00 50.00 H new ATOM 0 HZ1 LYS A 29 -4.895 7.707 -0.002 1.00 75.00 H new ATOM 0 HZ2 LYS A 29 -4.815 9.362 -0.372 1.00 75.00 H new ATOM 0 HZ3 LYS A 29 -3.391 8.492 -0.060 1.00 75.00 H new ATOM 513 N GLY A 30 0.865 7.901 4.175 1.00 10.00 N ATOM 514 CA GLY A 30 1.388 6.781 4.946 1.00 10.00 C ATOM 515 C GLY A 30 1.486 7.080 6.441 1.00 10.00 C ATOM 516 O GLY A 30 1.029 8.139 6.890 1.00 50.00 O ATOM 0 H GLY A 30 0.771 8.773 4.696 1.00 10.00 H new ATOM 0 HA2 GLY A 30 0.746 5.913 4.796 1.00 10.00 H new ATOM 0 HA3 GLY A 30 2.376 6.517 4.568 1.00 10.00 H new ATOM 520 N PRO A 31 2.074 6.147 7.254 1.00 10.00 N ATOM 521 CA PRO A 31 2.588 4.838 6.784 1.00 10.00 C ATOM 522 C PRO A 31 1.531 3.702 6.898 1.00 10.00 C ATOM 523 O PRO A 31 1.121 3.313 8.004 1.00 50.00 O ATOM 524 CB PRO A 31 3.788 4.619 7.734 1.00 50.00 C ATOM 525 CG PRO A 31 3.381 5.266 9.041 1.00 50.00 C ATOM 526 CD PRO A 31 2.312 6.316 8.711 1.00 50.00 C ATOM 0 HA PRO A 31 2.851 4.826 5.726 1.00 10.00 H new ATOM 0 HB2 PRO A 31 3.996 3.557 7.868 1.00 50.00 H new ATOM 0 HB3 PRO A 31 4.695 5.074 7.335 1.00 50.00 H new ATOM 0 HG2 PRO A 31 2.989 4.521 9.734 1.00 50.00 H new ATOM 0 HG3 PRO A 31 4.240 5.730 9.525 1.00 50.00 H new ATOM 0 HD2 PRO A 31 1.400 6.151 9.285 1.00 50.00 H new ATOM 0 HD3 PRO A 31 2.657 7.323 8.944 1.00 50.00 H new ATOM 534 N TYR A 32 1.079 3.197 5.739 1.00 10.00 N ATOM 535 CA TYR A 32 0.169 2.037 5.663 1.00 10.00 C ATOM 536 C TYR A 32 0.965 0.748 5.908 1.00 10.00 C ATOM 537 O TYR A 32 2.183 0.729 5.725 1.00 50.00 O ATOM 538 CB TYR A 32 -0.542 1.994 4.287 1.00 50.00 C ATOM 539 CG TYR A 32 -1.588 3.100 4.079 1.00 50.00 C ATOM 540 CD1 TYR A 32 -1.211 4.397 3.724 1.00 50.00 C ATOM 541 CD2 TYR A 32 -2.960 2.844 4.238 1.00 50.00 C ATOM 542 CE1 TYR A 32 -2.150 5.389 3.530 1.00 50.00 C ATOM 543 CE2 TYR A 32 -3.901 3.838 4.041 1.00 50.00 C ATOM 544 CZ TYR A 32 -3.491 5.109 3.691 1.00 50.00 C ATOM 545 OH TYR A 32 -4.426 6.102 3.488 1.00 50.00 O ATOM 0 H TYR A 32 1.332 3.579 4.828 1.00 10.00 H new ATOM 0 HA TYR A 32 -0.599 2.130 6.431 1.00 10.00 H new ATOM 0 HB2 TYR A 32 0.209 2.069 3.501 1.00 50.00 H new ATOM 0 HB3 TYR A 32 -1.028 1.025 4.173 1.00 50.00 H new ATOM 0 HD1 TYR A 32 -0.163 4.628 3.599 1.00 50.00 H new ATOM 0 HD2 TYR A 32 -3.286 1.853 4.519 1.00 50.00 H new ATOM 0 HE1 TYR A 32 -1.835 6.384 3.252 1.00 50.00 H new ATOM 0 HE2 TYR A 32 -4.952 3.621 4.160 1.00 50.00 H new ATOM 0 HH TYR A 32 -5.324 5.741 3.641 1.00 50.00 H new ATOM 555 N THR A 33 0.279 -0.318 6.341 1.00 10.00 N ATOM 556 CA THR A 33 0.930 -1.598 6.676 1.00 10.00 C ATOM 557 C THR A 33 0.273 -2.764 5.911 1.00 10.00 C ATOM 558 O THR A 33 -0.894 -3.103 6.153 1.00 50.00 O ATOM 559 CB THR A 33 0.866 -1.847 8.223 1.00 50.00 C ATOM 560 OG1 THR A 33 -0.488 -1.726 8.692 1.00 50.00 O ATOM 561 CG2 THR A 33 1.770 -0.868 9.006 1.00 50.00 C ATOM 0 H THR A 33 -0.733 -0.322 6.469 1.00 10.00 H new ATOM 0 HA THR A 33 1.976 -1.544 6.373 1.00 10.00 H new ATOM 0 HB THR A 33 1.231 -2.859 8.400 1.00 50.00 H new ATOM 0 HG1 THR A 33 -1.080 -2.261 8.123 1.00 50.00 H new ATOM 0 HG21 THR A 33 1.694 -1.077 10.073 1.00 50.00 H new ATOM 0 HG22 THR A 33 2.804 -0.991 8.685 1.00 50.00 H new ATOM 0 HG23 THR A 33 1.450 0.156 8.813 1.00 50.00 H new ATOM 569 N VAL A 34 1.037 -3.362 4.975 1.00 10.00 N ATOM 570 CA VAL A 34 0.592 -4.530 4.197 1.00 10.00 C ATOM 571 C VAL A 34 0.623 -5.780 5.092 1.00 10.00 C ATOM 572 O VAL A 34 1.666 -6.101 5.693 1.00 50.00 O ATOM 573 CB VAL A 34 1.482 -4.772 2.914 1.00 50.00 C ATOM 574 CG1 VAL A 34 0.987 -5.986 2.091 1.00 50.00 C ATOM 575 CG2 VAL A 34 1.554 -3.509 2.033 1.00 50.00 C ATOM 0 H VAL A 34 1.978 -3.048 4.739 1.00 10.00 H new ATOM 0 HA VAL A 34 -0.424 -4.332 3.855 1.00 10.00 H new ATOM 0 HB VAL A 34 2.489 -4.999 3.265 1.00 50.00 H new ATOM 0 HG11 VAL A 34 1.626 -6.118 1.218 1.00 50.00 H new ATOM 0 HG12 VAL A 34 1.025 -6.884 2.708 1.00 50.00 H new ATOM 0 HG13 VAL A 34 -0.039 -5.812 1.767 1.00 50.00 H new ATOM 0 HG21 VAL A 34 2.174 -3.710 1.159 1.00 50.00 H new ATOM 0 HG22 VAL A 34 0.550 -3.233 1.710 1.00 50.00 H new ATOM 0 HG23 VAL A 34 1.989 -2.690 2.606 1.00 50.00 H new ATOM 585 N LEU A 35 -0.544 -6.438 5.192 1.00 10.00 N ATOM 586 CA LEU A 35 -0.731 -7.681 5.950 1.00 10.00 C ATOM 587 C LEU A 35 -0.542 -8.901 5.024 1.00 10.00 C ATOM 588 O LEU A 35 -0.053 -9.949 5.447 1.00 50.00 O ATOM 589 CB LEU A 35 -2.146 -7.693 6.596 1.00 50.00 C ATOM 590 CG LEU A 35 -2.456 -6.517 7.583 1.00 50.00 C ATOM 591 CD1 LEU A 35 -3.897 -6.600 8.132 1.00 50.00 C ATOM 592 CD2 LEU A 35 -1.429 -6.468 8.734 1.00 50.00 C ATOM 0 H LEU A 35 -1.398 -6.113 4.739 1.00 10.00 H new ATOM 0 HA LEU A 35 0.015 -7.736 6.743 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -2.889 -7.678 5.798 1.00 50.00 H new ATOM 0 HB3 LEU A 35 -2.272 -8.634 7.131 1.00 50.00 H new ATOM 0 HG LEU A 35 -2.372 -5.589 7.017 1.00 50.00 H new ATOM 0 HD11 LEU A 35 -4.075 -5.768 8.813 1.00 50.00 H new ATOM 0 HD12 LEU A 35 -4.605 -6.550 7.305 1.00 50.00 H new ATOM 0 HD13 LEU A 35 -4.029 -7.541 8.666 1.00 50.00 H new ATOM 0 HD21 LEU A 35 -1.671 -5.641 9.402 1.00 50.00 H new ATOM 0 HD22 LEU A 35 -1.460 -7.405 9.290 1.00 50.00 H new ATOM 0 HD23 LEU A 35 -0.430 -6.323 8.324 1.00 50.00 H new ATOM 604 N LEU A 36 -0.934 -8.744 3.753 1.00 10.00 N ATOM 605 CA LEU A 36 -0.852 -9.820 2.749 1.00 10.00 C ATOM 606 C LEU A 36 -0.637 -9.213 1.362 1.00 10.00 C ATOM 607 O LEU A 36 -1.165 -8.146 1.060 1.00 50.00 O ATOM 608 CB LEU A 36 -2.145 -10.674 2.762 1.00 50.00 C ATOM 609 CG LEU A 36 -2.209 -11.886 1.770 1.00 50.00 C ATOM 610 CD1 LEU A 36 -1.163 -12.961 2.123 1.00 50.00 C ATOM 611 CD2 LEU A 36 -3.634 -12.479 1.712 1.00 50.00 C ATOM 0 H LEU A 36 -1.316 -7.871 3.390 1.00 10.00 H new ATOM 0 HA LEU A 36 -0.010 -10.467 2.993 1.00 10.00 H new ATOM 0 HB2 LEU A 36 -2.288 -11.056 3.773 1.00 50.00 H new ATOM 0 HB3 LEU A 36 -2.987 -10.016 2.548 1.00 50.00 H new ATOM 0 HG LEU A 36 -1.964 -11.514 0.775 1.00 50.00 H new ATOM 0 HD11 LEU A 36 -1.236 -13.786 1.415 1.00 50.00 H new ATOM 0 HD12 LEU A 36 -0.164 -12.527 2.073 1.00 50.00 H new ATOM 0 HD13 LEU A 36 -1.348 -13.331 3.131 1.00 50.00 H new ATOM 0 HD21 LEU A 36 -3.651 -13.318 1.017 1.00 50.00 H new ATOM 0 HD22 LEU A 36 -3.925 -12.824 2.704 1.00 50.00 H new ATOM 0 HD23 LEU A 36 -4.333 -11.714 1.374 1.00 50.00 H new ATOM 623 N THR A 37 0.140 -9.908 0.535 1.00 10.00 N ATOM 624 CA THR A 37 0.364 -9.541 -0.857 1.00 10.00 C ATOM 625 C THR A 37 -0.342 -10.564 -1.749 1.00 10.00 C ATOM 626 O THR A 37 -0.417 -11.747 -1.407 1.00 50.00 O ATOM 627 CB THR A 37 1.894 -9.484 -1.209 1.00 50.00 C ATOM 628 OG1 THR A 37 2.505 -10.771 -1.043 1.00 50.00 O ATOM 629 CG2 THR A 37 2.630 -8.459 -0.330 1.00 50.00 C ATOM 0 H THR A 37 0.637 -10.752 0.818 1.00 10.00 H new ATOM 0 HA THR A 37 -0.041 -8.543 -1.024 1.00 10.00 H new ATOM 0 HB THR A 37 1.973 -9.178 -2.252 1.00 50.00 H new ATOM 0 HG1 THR A 37 2.293 -11.121 -0.152 1.00 50.00 H new ATOM 0 HG21 THR A 37 3.687 -8.443 -0.597 1.00 50.00 H new ATOM 0 HG22 THR A 37 2.201 -7.470 -0.488 1.00 50.00 H new ATOM 0 HG23 THR A 37 2.525 -8.737 0.719 1.00 50.00 H new ATOM 637 N THR A 38 -0.877 -10.085 -2.853 1.00 10.00 N ATOM 638 CA THR A 38 -1.532 -10.888 -3.891 1.00 10.00 C ATOM 639 C THR A 38 -0.999 -10.333 -5.247 1.00 10.00 C ATOM 640 O THR A 38 -0.581 -9.163 -5.274 1.00 50.00 O ATOM 641 CB THR A 38 -3.099 -10.737 -3.737 1.00 50.00 C ATOM 642 OG1 THR A 38 -3.496 -11.108 -2.398 1.00 50.00 O ATOM 643 CG2 THR A 38 -3.911 -11.575 -4.743 1.00 50.00 C ATOM 0 H THR A 38 -0.873 -9.088 -3.070 1.00 10.00 H new ATOM 0 HA THR A 38 -1.316 -11.954 -3.822 1.00 10.00 H new ATOM 0 HB THR A 38 -3.320 -9.690 -3.943 1.00 50.00 H new ATOM 0 HG1 THR A 38 -4.445 -11.352 -2.394 1.00 50.00 H new ATOM 0 HG21 THR A 38 -4.976 -11.417 -4.572 1.00 50.00 H new ATOM 0 HG22 THR A 38 -3.657 -11.271 -5.758 1.00 50.00 H new ATOM 0 HG23 THR A 38 -3.675 -12.631 -4.611 1.00 50.00 H new ATOM 651 N PRO A 39 -0.870 -11.163 -6.349 1.00 10.00 N ATOM 652 CA PRO A 39 -0.465 -10.673 -7.697 1.00 10.00 C ATOM 653 C PRO A 39 -1.138 -9.329 -8.096 1.00 10.00 C ATOM 654 O PRO A 39 -2.349 -9.277 -8.361 1.00 50.00 O ATOM 655 CB PRO A 39 -0.884 -11.842 -8.653 1.00 50.00 C ATOM 656 CG PRO A 39 -1.501 -12.906 -7.768 1.00 50.00 C ATOM 657 CD PRO A 39 -0.989 -12.639 -6.367 1.00 50.00 C ATOM 0 HA PRO A 39 0.600 -10.442 -7.739 1.00 10.00 H new ATOM 0 HB2 PRO A 39 -1.596 -11.497 -9.402 1.00 50.00 H new ATOM 0 HB3 PRO A 39 -0.021 -12.234 -9.191 1.00 50.00 H new ATOM 0 HG2 PRO A 39 -2.589 -12.857 -7.801 1.00 50.00 H new ATOM 0 HG3 PRO A 39 -1.217 -13.904 -8.103 1.00 50.00 H new ATOM 0 HD2 PRO A 39 -1.681 -13.000 -5.606 1.00 50.00 H new ATOM 0 HD3 PRO A 39 -0.031 -13.126 -6.185 1.00 50.00 H new ATOM 665 N THR A 40 -0.317 -8.254 -8.057 1.00 10.00 N ATOM 666 CA THR A 40 -0.670 -6.886 -8.483 1.00 10.00 C ATOM 667 C THR A 40 -1.836 -6.274 -7.638 1.00 10.00 C ATOM 668 O THR A 40 -2.559 -5.366 -8.088 1.00 50.00 O ATOM 669 CB THR A 40 -0.964 -6.866 -10.032 1.00 50.00 C ATOM 670 OG1 THR A 40 0.025 -7.667 -10.713 1.00 50.00 O ATOM 671 CG2 THR A 40 -0.916 -5.452 -10.635 1.00 50.00 C ATOM 0 H THR A 40 0.642 -8.321 -7.716 1.00 10.00 H new ATOM 0 HA THR A 40 0.186 -6.239 -8.293 1.00 10.00 H new ATOM 0 HB THR A 40 -1.972 -7.259 -10.164 1.00 50.00 H new ATOM 0 HG1 THR A 40 -0.155 -7.659 -11.676 1.00 50.00 H new ATOM 0 HG21 THR A 40 -1.126 -5.505 -11.703 1.00 50.00 H new ATOM 0 HG22 THR A 40 -1.662 -4.824 -10.149 1.00 50.00 H new ATOM 0 HG23 THR A 40 0.075 -5.024 -10.481 1.00 50.00 H new ATOM 679 N ALA A 41 -1.959 -6.737 -6.373 1.00 10.00 N ATOM 680 CA ALA A 41 -2.998 -6.272 -5.427 1.00 10.00 C ATOM 681 C ALA A 41 -2.558 -6.585 -3.989 1.00 10.00 C ATOM 682 O ALA A 41 -2.295 -7.729 -3.669 1.00 50.00 O ATOM 683 CB ALA A 41 -4.344 -6.948 -5.743 1.00 50.00 C ATOM 0 H ALA A 41 -1.339 -7.445 -5.979 1.00 10.00 H new ATOM 0 HA ALA A 41 -3.126 -5.194 -5.530 1.00 10.00 H new ATOM 0 HB1 ALA A 41 -5.101 -6.598 -5.041 1.00 50.00 H new ATOM 0 HB2 ALA A 41 -4.648 -6.696 -6.759 1.00 50.00 H new ATOM 0 HB3 ALA A 41 -4.238 -8.029 -5.653 1.00 50.00 H new ATOM 689 N LEU A 42 -2.486 -5.576 -3.113 1.00 10.00 N ATOM 690 CA LEU A 42 -1.989 -5.747 -1.735 1.00 10.00 C ATOM 691 C LEU A 42 -3.137 -5.570 -0.732 1.00 10.00 C ATOM 692 O LEU A 42 -3.881 -4.577 -0.797 1.00 50.00 O ATOM 693 CB LEU A 42 -0.840 -4.737 -1.449 1.00 50.00 C ATOM 694 CG LEU A 42 0.336 -4.720 -2.485 1.00 50.00 C ATOM 695 CD1 LEU A 42 1.450 -3.752 -2.057 1.00 50.00 C ATOM 696 CD2 LEU A 42 0.906 -6.132 -2.741 1.00 50.00 C ATOM 0 H LEU A 42 -2.768 -4.621 -3.334 1.00 10.00 H new ATOM 0 HA LEU A 42 -1.592 -6.756 -1.624 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -1.268 -3.736 -1.399 1.00 50.00 H new ATOM 0 HB3 LEU A 42 -0.427 -4.957 -0.465 1.00 50.00 H new ATOM 0 HG LEU A 42 -0.082 -4.361 -3.426 1.00 50.00 H new ATOM 0 HD11 LEU A 42 2.249 -3.766 -2.798 1.00 50.00 H new ATOM 0 HD12 LEU A 42 1.045 -2.743 -1.979 1.00 50.00 H new ATOM 0 HD13 LEU A 42 1.847 -4.059 -1.090 1.00 50.00 H new ATOM 0 HD21 LEU A 42 1.718 -6.071 -3.465 1.00 50.00 H new ATOM 0 HD22 LEU A 42 1.284 -6.547 -1.806 1.00 50.00 H new ATOM 0 HD23 LEU A 42 0.119 -6.777 -3.132 1.00 50.00 H new ATOM 708 N LYS A 43 -3.287 -6.557 0.175 1.00 10.00 N ATOM 709 CA LYS A 43 -4.245 -6.488 1.280 1.00 10.00 C ATOM 710 C LYS A 43 -3.565 -5.750 2.443 1.00 10.00 C ATOM 711 O LYS A 43 -2.647 -6.281 3.094 1.00 50.00 O ATOM 712 CB LYS A 43 -4.706 -7.907 1.731 1.00 50.00 C ATOM 713 CG LYS A 43 -5.891 -7.884 2.730 1.00 50.00 C ATOM 714 CD LYS A 43 -6.309 -9.283 3.236 1.00 50.00 C ATOM 715 CE LYS A 43 -5.326 -9.874 4.262 1.00 50.00 C ATOM 716 NZ LYS A 43 -5.233 -9.041 5.492 1.00 75.00 N ATOM 0 H LYS A 43 -2.744 -7.421 0.156 1.00 10.00 H new ATOM 0 HA LYS A 43 -5.139 -5.956 0.955 1.00 10.00 H new ATOM 0 HB2 LYS A 43 -4.994 -8.483 0.852 1.00 50.00 H new ATOM 0 HB3 LYS A 43 -3.864 -8.425 2.190 1.00 50.00 H new ATOM 0 HG2 LYS A 43 -5.621 -7.265 3.585 1.00 50.00 H new ATOM 0 HG3 LYS A 43 -6.748 -7.410 2.251 1.00 50.00 H new ATOM 0 HD2 LYS A 43 -7.299 -9.219 3.686 1.00 50.00 H new ATOM 0 HD3 LYS A 43 -6.389 -9.961 2.386 1.00 50.00 H new ATOM 0 HE2 LYS A 43 -5.645 -10.881 4.530 1.00 50.00 H new ATOM 0 HE3 LYS A 43 -4.339 -9.962 3.809 1.00 50.00 H new ATOM 0 HZ1 LYS A 43 -4.613 -9.510 6.183 1.00 75.00 H new ATOM 0 HZ2 LYS A 43 -4.840 -8.109 5.251 1.00 75.00 H new ATOM 0 HZ3 LYS A 43 -6.181 -8.922 5.903 1.00 75.00 H new ATOM 730 N VAL A 44 -4.022 -4.519 2.676 1.00 10.00 N ATOM 731 CA VAL A 44 -3.427 -3.576 3.637 1.00 10.00 C ATOM 732 C VAL A 44 -4.442 -3.298 4.763 1.00 10.00 C ATOM 733 O VAL A 44 -5.658 -3.360 4.528 1.00 50.00 O ATOM 734 CB VAL A 44 -3.041 -2.229 2.899 1.00 50.00 C ATOM 735 CG1 VAL A 44 -2.374 -1.212 3.848 1.00 50.00 C ATOM 736 CG2 VAL A 44 -2.145 -2.502 1.658 1.00 50.00 C ATOM 0 H VAL A 44 -4.835 -4.137 2.193 1.00 10.00 H new ATOM 0 HA VAL A 44 -2.522 -4.007 4.066 1.00 10.00 H new ATOM 0 HB VAL A 44 -3.973 -1.782 2.554 1.00 50.00 H new ATOM 0 HG11 VAL A 44 -2.128 -0.305 3.295 1.00 50.00 H new ATOM 0 HG12 VAL A 44 -3.060 -0.968 4.659 1.00 50.00 H new ATOM 0 HG13 VAL A 44 -1.462 -1.643 4.261 1.00 50.00 H new ATOM 0 HG21 VAL A 44 -1.897 -1.558 1.173 1.00 50.00 H new ATOM 0 HG22 VAL A 44 -1.228 -2.999 1.974 1.00 50.00 H new ATOM 0 HG23 VAL A 44 -2.681 -3.141 0.956 1.00 50.00 H new ATOM 746 N ASP A 45 -3.942 -3.028 5.983 1.00 10.00 N ATOM 747 CA ASP A 45 -4.774 -2.562 7.104 1.00 10.00 C ATOM 748 C ASP A 45 -5.414 -1.202 6.742 1.00 10.00 C ATOM 749 O ASP A 45 -4.734 -0.322 6.210 1.00 50.00 O ATOM 750 CB ASP A 45 -3.920 -2.444 8.394 1.00 50.00 C ATOM 751 CG ASP A 45 -4.709 -1.891 9.600 1.00 50.00 C ATOM 752 OD1 ASP A 45 -5.517 -2.631 10.186 1.00 50.00 O ATOM 753 OD2 ASP A 45 -4.538 -0.715 9.968 1.00 50.00 O ATOM 0 H ASP A 45 -2.954 -3.127 6.217 1.00 10.00 H new ATOM 0 HA ASP A 45 -5.568 -3.285 7.290 1.00 10.00 H new ATOM 0 HB2 ASP A 45 -3.522 -3.426 8.649 1.00 50.00 H new ATOM 0 HB3 ASP A 45 -3.067 -1.795 8.198 1.00 50.00 H new ATOM 758 N GLY A 46 -6.727 -1.070 6.994 1.00 10.00 N ATOM 759 CA GLY A 46 -7.480 0.152 6.686 1.00 10.00 C ATOM 760 C GLY A 46 -8.203 0.099 5.345 1.00 10.00 C ATOM 761 O GLY A 46 -9.034 0.967 5.055 1.00 50.00 O ATOM 0 H GLY A 46 -7.293 -1.807 7.416 1.00 10.00 H new ATOM 0 HA2 GLY A 46 -8.210 0.329 7.476 1.00 10.00 H new ATOM 0 HA3 GLY A 46 -6.796 1.001 6.688 1.00 10.00 H new ATOM 765 N ILE A 47 -7.878 -0.916 4.521 1.00 10.00 N ATOM 766 CA ILE A 47 -8.449 -1.095 3.168 1.00 10.00 C ATOM 767 C ILE A 47 -9.621 -2.105 3.199 1.00 10.00 C ATOM 768 O ILE A 47 -9.654 -2.995 4.050 1.00 50.00 O ATOM 769 CB ILE A 47 -7.320 -1.554 2.165 1.00 50.00 C ATOM 770 CG1 ILE A 47 -6.174 -0.483 2.112 1.00 50.00 C ATOM 771 CG2 ILE A 47 -7.863 -1.869 0.750 1.00 50.00 C ATOM 772 CD1 ILE A 47 -6.604 0.930 1.736 1.00 50.00 C ATOM 0 H ILE A 47 -7.207 -1.641 4.776 1.00 10.00 H new ATOM 0 HA ILE A 47 -8.848 -0.142 2.821 1.00 10.00 H new ATOM 0 HB ILE A 47 -6.911 -2.490 2.545 1.00 50.00 H new ATOM 0 HG12 ILE A 47 -5.690 -0.448 3.088 1.00 50.00 H new ATOM 0 HG13 ILE A 47 -5.423 -0.817 1.396 1.00 50.00 H new ATOM 0 HG21 ILE A 47 -7.041 -2.179 0.105 1.00 50.00 H new ATOM 0 HG22 ILE A 47 -8.598 -2.672 0.813 1.00 50.00 H new ATOM 0 HG23 ILE A 47 -8.334 -0.978 0.334 1.00 50.00 H new ATOM 0 HD11 ILE A 47 -5.733 1.586 1.730 1.00 50.00 H new ATOM 0 HD12 ILE A 47 -7.058 0.921 0.745 1.00 50.00 H new ATOM 0 HD13 ILE A 47 -7.329 1.296 2.464 1.00 50.00 H new ATOM 784 N ALA A 48 -10.582 -1.932 2.263 1.00 10.00 N ATOM 785 CA ALA A 48 -11.771 -2.800 2.125 1.00 10.00 C ATOM 786 C ALA A 48 -11.379 -4.279 1.905 1.00 10.00 C ATOM 787 O ALA A 48 -11.892 -5.168 2.597 1.00 50.00 O ATOM 788 CB ALA A 48 -12.648 -2.294 0.967 1.00 50.00 C ATOM 0 H ALA A 48 -10.552 -1.178 1.576 1.00 10.00 H new ATOM 0 HA ALA A 48 -12.337 -2.753 3.055 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -13.524 -2.935 0.867 1.00 50.00 H new ATOM 0 HB2 ALA A 48 -12.968 -1.272 1.172 1.00 50.00 H new ATOM 0 HB3 ALA A 48 -12.075 -2.316 0.040 1.00 50.00 H new ATOM 794 N ALA A 49 -10.484 -4.529 0.921 1.00 10.00 N ATOM 795 CA ALA A 49 -9.912 -5.870 0.689 1.00 10.00 C ATOM 796 C ALA A 49 -8.512 -5.783 0.047 1.00 10.00 C ATOM 797 O ALA A 49 -7.532 -6.230 0.629 1.00 50.00 O ATOM 798 CB ALA A 49 -10.870 -6.717 -0.177 1.00 50.00 C ATOM 0 H ALA A 49 -10.144 -3.816 0.276 1.00 10.00 H new ATOM 0 HA ALA A 49 -9.794 -6.361 1.655 1.00 10.00 H new ATOM 0 HB1 ALA A 49 -10.436 -7.704 -0.341 1.00 50.00 H new ATOM 0 HB2 ALA A 49 -11.827 -6.822 0.335 1.00 50.00 H new ATOM 0 HB3 ALA A 49 -11.024 -6.225 -1.137 1.00 50.00 H new ATOM 804 N TRP A 50 -8.426 -5.152 -1.139 1.00 10.00 N ATOM 805 CA TRP A 50 -7.153 -5.013 -1.895 1.00 10.00 C ATOM 806 C TRP A 50 -7.072 -3.644 -2.580 1.00 10.00 C ATOM 807 O TRP A 50 -8.097 -3.072 -2.973 1.00 50.00 O ATOM 808 CB TRP A 50 -6.988 -6.137 -2.972 1.00 50.00 C ATOM 809 CG TRP A 50 -6.691 -7.517 -2.414 1.00 50.00 C ATOM 810 CD1 TRP A 50 -5.474 -7.988 -2.004 1.00 50.00 C ATOM 811 CD2 TRP A 50 -7.615 -8.600 -2.232 1.00 50.00 C ATOM 812 NE1 TRP A 50 -5.590 -9.277 -1.555 1.00 50.00 N ATOM 813 CE2 TRP A 50 -6.890 -9.681 -1.687 1.00 50.00 C ATOM 814 CE3 TRP A 50 -8.980 -8.760 -2.463 1.00 50.00 C ATOM 815 CZ2 TRP A 50 -7.489 -10.895 -1.371 1.00 50.00 C ATOM 816 CZ3 TRP A 50 -9.574 -9.969 -2.155 1.00 50.00 C ATOM 817 CH2 TRP A 50 -8.827 -11.025 -1.611 1.00 50.00 C ATOM 0 H TRP A 50 -9.227 -4.725 -1.603 1.00 10.00 H new ATOM 0 HA TRP A 50 -6.345 -5.107 -1.170 1.00 10.00 H new ATOM 0 HB2 TRP A 50 -7.901 -6.189 -3.565 1.00 50.00 H new ATOM 0 HB3 TRP A 50 -6.183 -5.854 -3.651 1.00 50.00 H new ATOM 0 HD1 TRP A 50 -4.553 -7.424 -2.030 1.00 50.00 H new ATOM 0 HE1 TRP A 50 -4.829 -9.844 -1.182 1.00 50.00 H new ATOM 0 HE3 TRP A 50 -9.565 -7.951 -2.876 1.00 50.00 H new ATOM 0 HZ2 TRP A 50 -6.916 -11.708 -0.950 1.00 50.00 H new ATOM 0 HZ3 TRP A 50 -10.630 -10.103 -2.336 1.00 50.00 H new ATOM 0 HH2 TRP A 50 -9.319 -11.958 -1.378 1.00 50.00 H new ATOM 828 N ILE A 51 -5.837 -3.139 -2.694 1.00 10.00 N ATOM 829 CA ILE A 51 -5.488 -1.992 -3.549 1.00 10.00 C ATOM 830 C ILE A 51 -4.551 -2.505 -4.649 1.00 10.00 C ATOM 831 O ILE A 51 -3.578 -3.199 -4.346 1.00 50.00 O ATOM 832 CB ILE A 51 -4.775 -0.836 -2.728 1.00 50.00 C ATOM 833 CG1 ILE A 51 -5.760 -0.187 -1.707 1.00 50.00 C ATOM 834 CG2 ILE A 51 -4.148 0.244 -3.650 1.00 50.00 C ATOM 835 CD1 ILE A 51 -6.987 0.479 -2.318 1.00 50.00 C ATOM 0 H ILE A 51 -5.038 -3.520 -2.188 1.00 10.00 H new ATOM 0 HA ILE A 51 -6.399 -1.566 -3.970 1.00 10.00 H new ATOM 0 HB ILE A 51 -3.957 -1.299 -2.176 1.00 50.00 H new ATOM 0 HG12 ILE A 51 -6.094 -0.956 -1.010 1.00 50.00 H new ATOM 0 HG13 ILE A 51 -5.216 0.556 -1.125 1.00 50.00 H new ATOM 0 HG21 ILE A 51 -3.673 1.012 -3.040 1.00 50.00 H new ATOM 0 HG22 ILE A 51 -3.402 -0.218 -4.297 1.00 50.00 H new ATOM 0 HG23 ILE A 51 -4.928 0.698 -4.262 1.00 50.00 H new ATOM 0 HD11 ILE A 51 -7.606 0.898 -1.525 1.00 50.00 H new ATOM 0 HD12 ILE A 51 -6.671 1.276 -2.991 1.00 50.00 H new ATOM 0 HD13 ILE A 51 -7.563 -0.260 -2.875 1.00 50.00 H new ATOM 847 N HIS A 52 -4.856 -2.171 -5.918 1.00 10.00 N ATOM 848 CA HIS A 52 -3.985 -2.486 -7.065 1.00 10.00 C ATOM 849 C HIS A 52 -2.585 -1.890 -6.805 1.00 10.00 C ATOM 850 O HIS A 52 -2.474 -0.692 -6.572 1.00 50.00 O ATOM 851 CB HIS A 52 -4.613 -1.920 -8.364 1.00 50.00 C ATOM 852 CG HIS A 52 -3.897 -2.302 -9.634 1.00 50.00 C ATOM 853 ND1 HIS A 52 -2.785 -1.639 -10.109 1.00 50.00 N ATOM 854 CD2 HIS A 52 -4.145 -3.292 -10.519 1.00 50.00 C ATOM 855 CE1 HIS A 52 -2.390 -2.206 -11.234 1.00 50.00 C ATOM 856 NE2 HIS A 52 -3.198 -3.209 -11.497 1.00 50.00 N ATOM 0 H HIS A 52 -5.710 -1.677 -6.175 1.00 10.00 H new ATOM 0 HA HIS A 52 -3.885 -3.565 -7.186 1.00 10.00 H new ATOM 0 HB2 HIS A 52 -5.646 -2.262 -8.430 1.00 50.00 H new ATOM 0 HB3 HIS A 52 -4.641 -0.833 -8.293 1.00 50.00 H new ATOM 0 HD2 HIS A 52 -4.945 -4.015 -10.463 1.00 50.00 H new ATOM 0 HE1 HIS A 52 -1.547 -1.898 -11.835 1.00 50.00 H new ATOM 0 HE2 HIS A 52 -3.128 -3.828 -12.305 1.00 50.00 H new ATOM 865 N ALA A 53 -1.551 -2.755 -6.842 1.00 10.00 N ATOM 866 CA ALA A 53 -0.188 -2.475 -6.310 1.00 10.00 C ATOM 867 C ALA A 53 0.510 -1.248 -6.938 1.00 10.00 C ATOM 868 O ALA A 53 1.459 -0.729 -6.356 1.00 50.00 O ATOM 869 CB ALA A 53 0.686 -3.737 -6.437 1.00 50.00 C ATOM 0 H ALA A 53 -1.634 -3.687 -7.249 1.00 10.00 H new ATOM 0 HA ALA A 53 -0.317 -2.211 -5.260 1.00 10.00 H new ATOM 0 HB1 ALA A 53 1.683 -3.530 -6.047 1.00 50.00 H new ATOM 0 HB2 ALA A 53 0.236 -4.550 -5.868 1.00 50.00 H new ATOM 0 HB3 ALA A 53 0.759 -4.025 -7.486 1.00 50.00 H new ATOM 875 N ALA A 54 0.044 -0.793 -8.118 1.00 10.00 N ATOM 876 CA ALA A 54 0.541 0.446 -8.763 1.00 10.00 C ATOM 877 C ALA A 54 0.230 1.706 -7.922 1.00 10.00 C ATOM 878 O ALA A 54 0.900 2.734 -8.054 1.00 50.00 O ATOM 879 CB ALA A 54 -0.060 0.574 -10.168 1.00 50.00 C ATOM 0 H ALA A 54 -0.684 -1.269 -8.651 1.00 10.00 H new ATOM 0 HA ALA A 54 1.626 0.373 -8.836 1.00 10.00 H new ATOM 0 HB1 ALA A 54 0.307 1.486 -10.639 1.00 50.00 H new ATOM 0 HB2 ALA A 54 0.232 -0.288 -10.768 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -1.147 0.615 -10.096 1.00 50.00 H new ATOM 885 N HIS A 55 -0.798 1.598 -7.072 1.00 10.00 N ATOM 886 CA HIS A 55 -1.232 2.663 -6.148 1.00 10.00 C ATOM 887 C HIS A 55 -0.642 2.452 -4.742 1.00 10.00 C ATOM 888 O HIS A 55 -1.110 3.051 -3.773 1.00 50.00 O ATOM 889 CB HIS A 55 -2.781 2.703 -6.073 1.00 50.00 C ATOM 890 CG HIS A 55 -3.442 2.961 -7.392 1.00 50.00 C ATOM 891 ND1 HIS A 55 -3.522 4.216 -7.952 1.00 50.00 N ATOM 892 CD2 HIS A 55 -4.047 2.122 -8.265 1.00 50.00 C ATOM 893 CE1 HIS A 55 -4.146 4.138 -9.111 1.00 50.00 C ATOM 894 NE2 HIS A 55 -4.472 2.879 -9.323 1.00 50.00 N ATOM 0 H HIS A 55 -1.365 0.753 -7.003 1.00 10.00 H new ATOM 0 HA HIS A 55 -0.865 3.615 -6.531 1.00 10.00 H new ATOM 0 HB2 HIS A 55 -3.141 1.754 -5.676 1.00 50.00 H new ATOM 0 HB3 HIS A 55 -3.082 3.478 -5.368 1.00 50.00 H new ATOM 0 HD2 HIS A 55 -4.171 1.055 -8.149 1.00 50.00 H new ATOM 0 HE1 HIS A 55 -4.354 4.965 -9.774 1.00 50.00 H new ATOM 0 HE2 HIS A 55 -4.963 2.525 -10.144 1.00 50.00 H new ATOM 903 N VAL A 56 0.376 1.585 -4.644 1.00 10.00 N ATOM 904 CA VAL A 56 1.144 1.356 -3.406 1.00 10.00 C ATOM 905 C VAL A 56 2.645 1.412 -3.763 1.00 10.00 C ATOM 906 O VAL A 56 3.027 1.132 -4.907 1.00 50.00 O ATOM 907 CB VAL A 56 0.807 -0.038 -2.728 1.00 50.00 C ATOM 908 CG1 VAL A 56 1.524 -0.193 -1.364 1.00 50.00 C ATOM 909 CG2 VAL A 56 -0.713 -0.254 -2.557 1.00 50.00 C ATOM 0 H VAL A 56 0.695 1.016 -5.428 1.00 10.00 H new ATOM 0 HA VAL A 56 0.876 2.127 -2.684 1.00 10.00 H new ATOM 0 HB VAL A 56 1.178 -0.806 -3.406 1.00 50.00 H new ATOM 0 HG11 VAL A 56 1.271 -1.159 -0.928 1.00 50.00 H new ATOM 0 HG12 VAL A 56 2.602 -0.133 -1.511 1.00 50.00 H new ATOM 0 HG13 VAL A 56 1.204 0.604 -0.692 1.00 50.00 H new ATOM 0 HG21 VAL A 56 -0.893 -1.222 -2.089 1.00 50.00 H new ATOM 0 HG22 VAL A 56 -1.124 0.535 -1.928 1.00 50.00 H new ATOM 0 HG23 VAL A 56 -1.196 -0.228 -3.534 1.00 50.00 H new ATOM 919 N LYS A 57 3.479 1.798 -2.799 1.00 10.00 N ATOM 920 CA LYS A 57 4.933 1.844 -2.963 1.00 10.00 C ATOM 921 C LYS A 57 5.580 1.632 -1.590 1.00 10.00 C ATOM 922 O LYS A 57 5.176 2.288 -0.634 1.00 50.00 O ATOM 923 CB LYS A 57 5.357 3.221 -3.528 1.00 50.00 C ATOM 924 CG LYS A 57 6.864 3.344 -3.850 1.00 50.00 C ATOM 925 CD LYS A 57 7.302 4.793 -4.131 1.00 50.00 C ATOM 926 CE LYS A 57 7.161 5.688 -2.883 1.00 50.00 C ATOM 927 NZ LYS A 57 7.946 5.158 -1.731 1.00 75.00 N ATOM 0 H LYS A 57 3.163 2.090 -1.874 1.00 10.00 H new ATOM 0 HA LYS A 57 5.254 1.067 -3.657 1.00 10.00 H new ATOM 0 HB2 LYS A 57 4.787 3.419 -4.436 1.00 50.00 H new ATOM 0 HB3 LYS A 57 5.088 3.994 -2.808 1.00 50.00 H new ATOM 0 HG2 LYS A 57 7.442 2.951 -3.014 1.00 50.00 H new ATOM 0 HG3 LYS A 57 7.097 2.725 -4.717 1.00 50.00 H new ATOM 0 HD2 LYS A 57 8.339 4.800 -4.468 1.00 50.00 H new ATOM 0 HD3 LYS A 57 6.700 5.203 -4.942 1.00 50.00 H new ATOM 0 HE2 LYS A 57 7.498 6.697 -3.119 1.00 50.00 H new ATOM 0 HE3 LYS A 57 6.110 5.760 -2.604 1.00 50.00 H new ATOM 0 HZ1 LYS A 57 7.895 5.829 -0.938 1.00 75.00 H new ATOM 0 HZ2 LYS A 57 7.553 4.242 -1.435 1.00 75.00 H new ATOM 0 HZ3 LYS A 57 8.938 5.033 -2.015 1.00 75.00 H new ATOM 941 N ALA A 58 6.592 0.747 -1.507 1.00 10.00 N ATOM 942 CA ALA A 58 7.302 0.453 -0.238 1.00 10.00 C ATOM 943 C ALA A 58 7.974 1.718 0.341 1.00 10.00 C ATOM 944 O ALA A 58 8.341 2.637 -0.402 1.00 50.00 O ATOM 945 CB ALA A 58 8.331 -0.670 -0.453 1.00 50.00 C ATOM 0 H ALA A 58 6.941 0.218 -2.306 1.00 10.00 H new ATOM 0 HA ALA A 58 6.566 0.115 0.492 1.00 10.00 H new ATOM 0 HB1 ALA A 58 8.846 -0.877 0.485 1.00 50.00 H new ATOM 0 HB2 ALA A 58 7.821 -1.571 -0.793 1.00 50.00 H new ATOM 0 HB3 ALA A 58 9.057 -0.359 -1.204 1.00 50.00 H new ATOM 951 N ALA A 59 8.119 1.752 1.667 1.00 10.00 N ATOM 952 CA ALA A 59 8.693 2.896 2.404 1.00 10.00 C ATOM 953 C ALA A 59 9.796 2.407 3.351 1.00 10.00 C ATOM 954 O ALA A 59 9.908 1.200 3.610 1.00 50.00 O ATOM 955 CB ALA A 59 7.574 3.623 3.178 1.00 50.00 C ATOM 0 H ALA A 59 7.840 0.980 2.273 1.00 10.00 H new ATOM 0 HA ALA A 59 9.140 3.600 1.702 1.00 10.00 H new ATOM 0 HB1 ALA A 59 7.997 4.467 3.722 1.00 50.00 H new ATOM 0 HB2 ALA A 59 6.822 3.984 2.477 1.00 50.00 H new ATOM 0 HB3 ALA A 59 7.111 2.932 3.883 1.00 50.00 H new ATOM 961 N ASP A 60 10.617 3.342 3.852 1.00 10.00 N ATOM 962 CA ASP A 60 11.603 3.048 4.901 1.00 10.00 C ATOM 963 C ASP A 60 11.006 3.462 6.263 1.00 50.00 C ATOM 964 O ASP A 60 10.781 4.657 6.493 1.00 50.00 O ATOM 965 CB ASP A 60 12.951 3.792 4.656 1.00 50.00 C ATOM 966 CG ASP A 60 14.103 3.349 5.594 1.00 50.00 C ATOM 967 OD1 ASP A 60 13.932 2.414 6.407 1.00 50.00 O ATOM 968 OD2 ASP A 60 15.185 3.956 5.537 1.00 75.00 O ATOM 0 H ASP A 60 10.616 4.315 3.544 1.00 10.00 H new ATOM 0 HA ASP A 60 11.821 1.980 4.888 1.00 10.00 H new ATOM 0 HB2 ASP A 60 13.258 3.633 3.622 1.00 50.00 H new ATOM 0 HB3 ASP A 60 12.789 4.863 4.779 1.00 50.00 H new ATOM 973 N PRO A 61 10.692 2.480 7.166 1.00 50.00 N ATOM 974 CA PRO A 61 10.185 2.787 8.522 1.00 50.00 C ATOM 975 C PRO A 61 11.266 3.393 9.441 1.00 50.00 C ATOM 976 O PRO A 61 10.943 3.936 10.495 1.00 75.00 O ATOM 977 CB PRO A 61 9.711 1.401 9.041 1.00 75.00 C ATOM 978 CG PRO A 61 10.553 0.406 8.303 1.00 75.00 C ATOM 979 CD PRO A 61 10.778 1.004 6.927 1.00 50.00 C ATOM 0 HA PRO A 61 9.398 3.541 8.508 1.00 50.00 H new ATOM 0 HB2 PRO A 61 9.849 1.314 10.119 1.00 75.00 H new ATOM 0 HB3 PRO A 61 8.651 1.246 8.842 1.00 75.00 H new ATOM 0 HG2 PRO A 61 11.499 0.236 8.816 1.00 75.00 H new ATOM 0 HG3 PRO A 61 10.050 -0.559 8.234 1.00 75.00 H new ATOM 0 HD2 PRO A 61 11.748 0.720 6.520 1.00 50.00 H new ATOM 0 HD3 PRO A 61 10.023 0.668 6.216 1.00 50.00 H new ATOM 987 N GLY A 62 12.547 3.285 9.032 1.00 50.00 N ATOM 988 CA GLY A 62 13.678 3.719 9.852 1.00 50.00 C ATOM 989 C GLY A 62 14.072 2.654 10.872 1.00 75.00 C ATOM 990 O GLY A 62 15.218 2.188 10.889 1.00 75.00 O ATOM 0 H GLY A 62 12.817 2.896 8.129 1.00 50.00 H new ATOM 0 HA2 GLY A 62 14.530 3.942 9.210 1.00 50.00 H new ATOM 0 HA3 GLY A 62 13.420 4.642 10.370 1.00 50.00 H new ATOM 994 N GLY A 63 13.106 2.269 11.718 1.00 75.00 N ATOM 995 CA GLY A 63 13.281 1.200 12.701 1.00 75.00 C ATOM 996 C GLY A 63 12.335 1.374 13.873 1.00 75.00 C ATOM 997 O GLY A 63 11.382 2.168 13.795 1.00 75.00 O ATOM 0 H GLY A 63 12.179 2.694 11.737 1.00 75.00 H new ATOM 0 HA2 GLY A 63 13.104 0.234 12.228 1.00 75.00 H new ATOM 0 HA3 GLY A 63 14.311 1.196 13.059 1.00 75.00 H new ATOM 1001 N GLY A 64 12.603 0.621 14.949 1.00 75.00 N ATOM 1002 CA GLY A 64 11.866 0.728 16.206 1.00 75.00 C ATOM 1003 C GLY A 64 10.354 0.487 16.081 1.00 75.00 C ATOM 1004 O GLY A 64 9.936 -0.400 15.325 1.00 75.00 O ATOM 0 H GLY A 64 13.342 -0.082 14.967 1.00 75.00 H new ATOM 0 HA2 GLY A 64 12.278 0.011 16.916 1.00 75.00 H new ATOM 0 HA3 GLY A 64 12.029 1.721 16.625 1.00 75.00 H new ATOM 1008 N PRO A 65 9.493 1.272 16.811 1.00 75.00 N ATOM 1009 CA PRO A 65 8.015 1.108 16.794 1.00 75.00 C ATOM 1010 C PRO A 65 7.335 1.771 15.559 1.00 75.00 C ATOM 1011 O PRO A 65 6.275 2.389 15.688 1.00 75.00 O ATOM 1012 CB PRO A 65 7.573 1.785 18.143 1.00 75.00 C ATOM 1013 CG PRO A 65 8.846 2.208 18.840 1.00 75.00 C ATOM 1014 CD PRO A 65 9.872 2.362 17.743 1.00 75.00 C ATOM 0 HA PRO A 65 7.716 0.063 16.711 1.00 75.00 H new ATOM 0 HB2 PRO A 65 6.929 2.644 17.955 1.00 75.00 H new ATOM 0 HB3 PRO A 65 7.004 1.089 18.760 1.00 75.00 H new ATOM 0 HG2 PRO A 65 8.705 3.144 19.381 1.00 75.00 H new ATOM 0 HG3 PRO A 65 9.161 1.462 19.570 1.00 75.00 H new ATOM 0 HD2 PRO A 65 9.818 3.342 17.268 1.00 75.00 H new ATOM 0 HD3 PRO A 65 10.889 2.244 18.116 1.00 75.00 H new ATOM 1022 N SER A 66 7.935 1.632 14.363 1.00 75.00 N ATOM 1023 CA SER A 66 7.322 2.106 13.111 1.00 75.00 C ATOM 1024 C SER A 66 6.685 0.913 12.378 1.00 75.00 C ATOM 1025 O SER A 66 5.458 0.794 12.319 1.00 75.00 O ATOM 1026 CB SER A 66 8.376 2.823 12.243 1.00 75.00 C ATOM 1027 OG SER A 66 7.794 3.379 11.076 1.00 75.00 O ATOM 0 H SER A 66 8.847 1.193 14.238 1.00 75.00 H new ATOM 0 HA SER A 66 6.537 2.830 13.327 1.00 75.00 H new ATOM 0 HB2 SER A 66 8.853 3.612 12.825 1.00 75.00 H new ATOM 0 HB3 SER A 66 9.158 2.118 11.961 1.00 75.00 H new ATOM 0 HG SER A 66 8.446 3.960 10.630 1.00 75.00 H new ATOM 1033 N SER A 67 7.536 0.004 11.872 1.00 75.00 N ATOM 1034 CA SER A 67 7.090 -1.241 11.219 1.00 75.00 C ATOM 1035 C SER A 67 6.524 -2.232 12.251 1.00 75.00 C ATOM 1036 O SER A 67 5.698 -3.082 11.917 1.00 75.00 O ATOM 1037 CB SER A 67 8.279 -1.872 10.458 1.00 75.00 C ATOM 1038 OG SER A 67 9.433 -1.960 11.285 1.00 75.00 O ATOM 0 H SER A 67 8.550 0.110 11.903 1.00 75.00 H new ATOM 0 HA SER A 67 6.292 -1.005 10.515 1.00 75.00 H new ATOM 0 HB2 SER A 67 8.003 -2.867 10.108 1.00 75.00 H new ATOM 0 HB3 SER A 67 8.506 -1.275 9.575 1.00 75.00 H new ATOM 0 HG SER A 67 10.168 -2.364 10.779 1.00 75.00 H new ATOM 1044 N ARG A 68 6.971 -2.078 13.507 1.00 75.00 N ATOM 1045 CA ARG A 68 6.679 -3.002 14.609 1.00 75.00 C ATOM 1046 C ARG A 68 5.217 -2.904 15.090 1.00 75.00 C ATOM 1047 O ARG A 68 4.619 -3.921 15.460 1.00 75.00 O ATOM 1048 CB ARG A 68 7.667 -2.709 15.760 1.00 75.00 C ATOM 1049 CG ARG A 68 7.597 -3.672 16.968 1.00 75.00 C ATOM 1050 CD ARG A 68 8.758 -3.439 17.953 1.00 75.00 C ATOM 1051 NE ARG A 68 10.073 -3.644 17.303 1.00 75.00 N ATOM 1052 CZ ARG A 68 11.194 -2.948 17.565 1.00 75.00 C ATOM 1053 NH1 ARG A 68 11.198 -1.982 18.479 1.00 75.00 N ATOM 1054 NH2 ARG A 68 12.304 -3.231 16.904 1.00 75.00 N ATOM 0 H ARG A 68 7.557 -1.292 13.788 1.00 75.00 H new ATOM 0 HA ARG A 68 6.806 -4.025 14.255 1.00 75.00 H new ATOM 0 HB2 ARG A 68 8.680 -2.733 15.359 1.00 75.00 H new ATOM 0 HB3 ARG A 68 7.489 -1.695 16.117 1.00 75.00 H new ATOM 0 HG2 ARG A 68 6.648 -3.537 17.486 1.00 75.00 H new ATOM 0 HG3 ARG A 68 7.622 -4.702 16.613 1.00 75.00 H new ATOM 0 HD2 ARG A 68 8.702 -2.425 18.350 1.00 75.00 H new ATOM 0 HD3 ARG A 68 8.660 -4.119 18.800 1.00 75.00 H new ATOM 0 HE ARG A 68 10.134 -4.376 16.596 1.00 75.00 H new ATOM 0 HH11 ARG A 68 10.344 -1.761 18.991 1.00 75.00 H new ATOM 0 HH12 ARG A 68 12.055 -1.462 18.668 1.00 75.00 H new ATOM 0 HH21 ARG A 68 12.305 -3.971 16.203 1.00 75.00 H new ATOM 0 HH22 ARG A 68 13.159 -2.709 17.096 1.00 75.00 H new ATOM 1068 N LEU A 69 4.645 -1.679 15.075 1.00 75.00 N ATOM 1069 CA LEU A 69 3.267 -1.435 15.552 1.00 75.00 C ATOM 1070 C LEU A 69 2.237 -1.861 14.490 1.00 75.00 C ATOM 1071 O LEU A 69 1.681 -1.022 13.768 1.00 75.00 O ATOM 1072 CB LEU A 69 3.046 0.056 15.948 1.00 75.00 C ATOM 1073 CG LEU A 69 3.896 0.602 17.133 1.00 75.00 C ATOM 1074 CD1 LEU A 69 3.499 2.059 17.477 1.00 75.00 C ATOM 1075 CD2 LEU A 69 3.805 -0.318 18.368 1.00 75.00 C ATOM 0 H LEU A 69 5.119 -0.842 14.736 1.00 75.00 H new ATOM 0 HA LEU A 69 3.124 -2.042 16.446 1.00 75.00 H new ATOM 0 HB2 LEU A 69 3.248 0.673 15.073 1.00 75.00 H new ATOM 0 HB3 LEU A 69 1.993 0.189 16.196 1.00 75.00 H new ATOM 0 HG LEU A 69 4.939 0.610 16.816 1.00 75.00 H new ATOM 0 HD11 LEU A 69 4.108 2.416 18.308 1.00 75.00 H new ATOM 0 HD12 LEU A 69 3.663 2.696 16.608 1.00 75.00 H new ATOM 0 HD13 LEU A 69 2.446 2.093 17.758 1.00 75.00 H new ATOM 0 HD21 LEU A 69 4.411 0.095 19.175 1.00 75.00 H new ATOM 0 HD22 LEU A 69 2.767 -0.389 18.693 1.00 75.00 H new ATOM 0 HD23 LEU A 69 4.173 -1.311 18.110 1.00 75.00 H new ATOM 1087 N THR A 70 2.034 -3.181 14.378 1.00 75.00 N ATOM 1088 CA THR A 70 1.053 -3.782 13.466 1.00 75.00 C ATOM 1089 C THR A 70 0.587 -5.139 14.026 1.00 75.00 C ATOM 1090 O THR A 70 1.320 -5.785 14.794 1.00 75.00 O ATOM 1091 CB THR A 70 1.624 -4.006 12.023 1.00 75.00 C ATOM 1092 OG1 THR A 70 2.345 -2.846 11.576 1.00 75.00 O ATOM 1093 CG2 THR A 70 0.495 -4.315 11.015 1.00 75.00 C ATOM 0 H THR A 70 2.553 -3.869 14.925 1.00 75.00 H new ATOM 0 HA THR A 70 0.221 -3.082 13.392 1.00 75.00 H new ATOM 0 HB THR A 70 2.300 -4.860 12.072 1.00 75.00 H new ATOM 0 HG1 THR A 70 3.224 -3.117 11.238 1.00 75.00 H new ATOM 0 HG21 THR A 70 0.923 -4.465 10.024 1.00 75.00 H new ATOM 0 HG22 THR A 70 -0.031 -5.218 11.324 1.00 75.00 H new ATOM 0 HG23 THR A 70 -0.205 -3.480 10.985 1.00 75.00 H new ATOM 1101 N TRP A 71 -0.640 -5.545 13.629 1.00 75.00 N ATOM 1102 CA TRP A 71 -1.225 -6.866 13.932 1.00 75.00 C ATOM 1103 C TRP A 71 -0.234 -7.984 13.551 1.00 75.00 C ATOM 1104 O TRP A 71 0.142 -8.115 12.381 1.00 75.00 O ATOM 1105 CB TRP A 71 -2.554 -7.054 13.146 1.00 75.00 C ATOM 1106 CG TRP A 71 -3.507 -5.878 13.231 1.00 75.00 C ATOM 1107 CD1 TRP A 71 -3.694 -4.906 12.282 1.00 75.00 C ATOM 1108 CD2 TRP A 71 -4.379 -5.534 14.327 1.00 75.00 C ATOM 1109 NE1 TRP A 71 -4.627 -3.998 12.713 1.00 75.00 N ATOM 1110 CE2 TRP A 71 -5.061 -4.356 13.962 1.00 75.00 C ATOM 1111 CE3 TRP A 71 -4.654 -6.108 15.576 1.00 75.00 C ATOM 1112 CZ2 TRP A 71 -5.993 -3.741 14.796 1.00 75.00 C ATOM 1113 CZ3 TRP A 71 -5.581 -5.497 16.406 1.00 75.00 C ATOM 1114 CH2 TRP A 71 -6.242 -4.323 16.010 1.00 75.00 C ATOM 0 H TRP A 71 -1.261 -4.951 13.079 1.00 75.00 H new ATOM 0 HA TRP A 71 -1.431 -6.921 15.001 1.00 75.00 H new ATOM 0 HB2 TRP A 71 -2.318 -7.239 12.098 1.00 75.00 H new ATOM 0 HB3 TRP A 71 -3.060 -7.943 13.521 1.00 75.00 H new ATOM 0 HD1 TRP A 71 -3.181 -4.862 11.333 1.00 75.00 H new ATOM 0 HE1 TRP A 71 -4.947 -3.185 12.187 1.00 75.00 H new ATOM 0 HE3 TRP A 71 -4.152 -7.012 15.887 1.00 75.00 H new ATOM 0 HZ2 TRP A 71 -6.501 -2.837 14.495 1.00 75.00 H new ATOM 0 HZ3 TRP A 71 -5.798 -5.930 17.371 1.00 75.00 H new ATOM 0 HH2 TRP A 71 -6.961 -3.870 16.676 1.00 75.00 H new ATOM 1125 N ARG A 72 0.175 -8.777 14.551 1.00 75.00 N ATOM 1126 CA ARG A 72 1.238 -9.800 14.416 1.00 75.00 C ATOM 1127 C ARG A 72 0.672 -11.159 13.927 1.00 75.00 C ATOM 1128 O ARG A 72 1.161 -12.226 14.326 1.00 75.00 O ATOM 1129 CB ARG A 72 1.971 -9.939 15.787 1.00 75.00 C ATOM 1130 CG ARG A 72 1.058 -10.366 16.963 1.00 75.00 C ATOM 1131 CD ARG A 72 1.800 -10.491 18.306 1.00 75.00 C ATOM 1132 NE ARG A 72 0.890 -10.935 19.381 1.00 75.00 N ATOM 1133 CZ ARG A 72 1.208 -11.777 20.381 1.00 75.00 C ATOM 1134 NH1 ARG A 72 2.433 -12.292 20.475 1.00 75.00 N ATOM 1135 NH2 ARG A 72 0.285 -12.100 21.276 1.00 75.00 N ATOM 0 H ARG A 72 -0.223 -8.731 15.489 1.00 75.00 H new ATOM 0 HA ARG A 72 1.950 -9.481 13.655 1.00 75.00 H new ATOM 0 HB2 ARG A 72 2.774 -10.669 15.683 1.00 75.00 H new ATOM 0 HB3 ARG A 72 2.438 -8.985 16.034 1.00 75.00 H new ATOM 0 HG2 ARG A 72 0.252 -9.639 17.069 1.00 75.00 H new ATOM 0 HG3 ARG A 72 0.595 -11.323 16.723 1.00 75.00 H new ATOM 0 HD2 ARG A 72 2.622 -11.200 18.206 1.00 75.00 H new ATOM 0 HD3 ARG A 72 2.240 -9.530 18.572 1.00 75.00 H new ATOM 0 HE ARG A 72 -0.063 -10.572 19.364 1.00 75.00 H new ATOM 0 HH11 ARG A 72 3.143 -12.049 19.784 1.00 75.00 H new ATOM 0 HH12 ARG A 72 2.661 -12.929 21.238 1.00 75.00 H new ATOM 0 HH21 ARG A 72 -0.655 -11.711 21.202 1.00 75.00 H new ATOM 0 HH22 ARG A 72 0.515 -12.737 22.038 1.00 75.00 H new ATOM 1149 N VAL A 73 -0.306 -11.084 12.987 1.00 75.00 N ATOM 1150 CA VAL A 73 -1.074 -12.245 12.462 1.00 75.00 C ATOM 1151 C VAL A 73 -0.143 -13.379 11.983 1.00 75.00 C ATOM 1152 O VAL A 73 -0.271 -14.535 12.403 1.00 75.00 O ATOM 1153 CB VAL A 73 -2.014 -11.790 11.267 1.00 75.00 C ATOM 1154 CG1 VAL A 73 -2.847 -12.967 10.688 1.00 75.00 C ATOM 1155 CG2 VAL A 73 -2.931 -10.617 11.696 1.00 50.00 C ATOM 0 H VAL A 73 -0.588 -10.199 12.565 1.00 75.00 H new ATOM 0 HA VAL A 73 -1.682 -12.628 13.281 1.00 75.00 H new ATOM 0 HB VAL A 73 -1.362 -11.440 10.467 1.00 75.00 H new ATOM 0 HG11 VAL A 73 -3.473 -12.603 9.873 1.00 75.00 H new ATOM 0 HG12 VAL A 73 -2.175 -13.738 10.312 1.00 75.00 H new ATOM 0 HG13 VAL A 73 -3.478 -13.386 11.472 1.00 75.00 H new ATOM 0 HG21 VAL A 73 -3.564 -10.325 10.858 1.00 50.00 H new ATOM 0 HG22 VAL A 73 -3.556 -10.931 12.532 1.00 50.00 H new ATOM 0 HG23 VAL A 73 -2.318 -9.769 12.000 1.00 50.00 H new ATOM 1165 N GLN A 74 0.807 -13.011 11.115 1.00 75.00 N ATOM 1166 CA GLN A 74 1.810 -13.931 10.539 1.00 75.00 C ATOM 1167 C GLN A 74 3.222 -13.315 10.657 1.00 75.00 C ATOM 1168 O GLN A 74 4.084 -13.560 9.801 1.00 75.00 O ATOM 1169 CB GLN A 74 1.455 -14.222 9.045 1.00 75.00 C ATOM 1170 CG GLN A 74 0.223 -15.116 8.811 1.00 75.00 C ATOM 1171 CD GLN A 74 0.436 -16.545 9.316 1.00 75.00 C ATOM 1172 OE1 GLN A 74 0.964 -17.390 8.599 1.00 75.00 O ATOM 1173 NE2 GLN A 74 0.020 -16.827 10.543 1.00 75.00 N ATOM 0 H GLN A 74 0.907 -12.051 10.784 1.00 75.00 H new ATOM 0 HA GLN A 74 1.801 -14.871 11.090 1.00 75.00 H new ATOM 0 HB2 GLN A 74 1.292 -13.271 8.538 1.00 75.00 H new ATOM 0 HB3 GLN A 74 2.317 -14.692 8.571 1.00 75.00 H new ATOM 0 HG2 GLN A 74 -0.640 -14.680 9.315 1.00 75.00 H new ATOM 0 HG3 GLN A 74 -0.008 -15.140 7.746 1.00 75.00 H new ATOM 0 HE21 GLN A 74 -0.415 -16.102 11.113 1.00 75.00 H new ATOM 0 HE22 GLN A 74 0.135 -17.769 10.917 1.00 75.00 H new ATOM 1182 N ARG A 75 3.459 -12.530 11.739 1.00 75.00 N ATOM 1183 CA ARG A 75 4.764 -11.873 11.981 1.00 75.00 C ATOM 1184 C ARG A 75 5.825 -12.941 12.326 1.00 75.00 C ATOM 1185 O ARG A 75 6.005 -13.331 13.485 1.00 75.00 O ATOM 1186 CB ARG A 75 4.651 -10.785 13.087 1.00 75.00 C ATOM 1187 CG ARG A 75 5.965 -10.021 13.391 1.00 75.00 C ATOM 1188 CD ARG A 75 6.491 -9.187 12.202 1.00 75.00 C ATOM 1189 NE ARG A 75 5.614 -8.036 11.894 1.00 75.00 N ATOM 1190 CZ ARG A 75 5.951 -6.735 12.036 1.00 75.00 C ATOM 1191 NH1 ARG A 75 7.155 -6.378 12.482 1.00 75.00 N ATOM 1192 NH2 ARG A 75 5.066 -5.805 11.734 1.00 75.00 N ATOM 0 H ARG A 75 2.760 -12.338 12.457 1.00 75.00 H new ATOM 0 HA ARG A 75 5.078 -11.360 11.072 1.00 75.00 H new ATOM 0 HB2 ARG A 75 3.890 -10.064 12.790 1.00 75.00 H new ATOM 0 HB3 ARG A 75 4.302 -11.257 14.005 1.00 75.00 H new ATOM 0 HG2 ARG A 75 5.801 -9.360 14.242 1.00 75.00 H new ATOM 0 HG3 ARG A 75 6.731 -10.738 13.687 1.00 75.00 H new ATOM 0 HD2 ARG A 75 7.494 -8.826 12.429 1.00 75.00 H new ATOM 0 HD3 ARG A 75 6.573 -9.824 11.322 1.00 75.00 H new ATOM 0 HE ARG A 75 4.678 -8.241 11.546 1.00 75.00 H new ATOM 0 HH11 ARG A 75 7.842 -7.092 12.723 1.00 75.00 H new ATOM 0 HH12 ARG A 75 7.390 -5.390 12.582 1.00 75.00 H new ATOM 0 HH21 ARG A 75 4.141 -6.072 11.398 1.00 75.00 H new ATOM 0 HH22 ARG A 75 5.307 -4.819 11.836 1.00 75.00 H new ATOM 1206 N SER A 76 6.470 -13.427 11.264 1.00 75.00 N ATOM 1207 CA SER A 76 7.440 -14.515 11.312 1.00 75.00 C ATOM 1208 C SER A 76 8.300 -14.440 10.045 1.00 75.00 C ATOM 1209 O SER A 76 7.773 -14.521 8.922 1.00 75.00 O ATOM 1210 CB SER A 76 6.708 -15.880 11.430 1.00 75.00 C ATOM 1211 OG SER A 76 5.656 -16.002 10.481 1.00 75.00 O ATOM 0 H SER A 76 6.326 -13.062 10.322 1.00 75.00 H new ATOM 0 HA SER A 76 8.083 -14.421 12.187 1.00 75.00 H new ATOM 0 HB2 SER A 76 7.424 -16.689 11.285 1.00 75.00 H new ATOM 0 HB3 SER A 76 6.303 -15.989 12.436 1.00 75.00 H new ATOM 0 HG SER A 76 5.176 -15.150 10.414 1.00 75.00 H new ATOM 1217 N GLN A 77 9.612 -14.257 10.234 1.00 75.00 N ATOM 1218 CA GLN A 77 10.559 -14.027 9.141 1.00 75.00 C ATOM 1219 C GLN A 77 11.069 -15.374 8.582 1.00 75.00 C ATOM 1220 O GLN A 77 12.252 -15.724 8.704 1.00 75.00 O ATOM 1221 CB GLN A 77 11.712 -13.097 9.634 1.00 75.00 C ATOM 1222 CG GLN A 77 11.250 -11.776 10.304 1.00 75.00 C ATOM 1223 CD GLN A 77 10.229 -10.969 9.480 1.00 75.00 C ATOM 1224 OE1 GLN A 77 9.013 -11.112 9.646 1.00 75.00 O ATOM 1225 NE2 GLN A 77 10.711 -10.140 8.569 1.00 75.00 N ATOM 0 H GLN A 77 10.048 -14.265 11.156 1.00 75.00 H new ATOM 0 HA GLN A 77 10.062 -13.517 8.316 1.00 75.00 H new ATOM 0 HB2 GLN A 77 12.326 -13.651 10.344 1.00 75.00 H new ATOM 0 HB3 GLN A 77 12.349 -12.852 8.784 1.00 75.00 H new ATOM 0 HG2 GLN A 77 10.813 -12.009 11.275 1.00 75.00 H new ATOM 0 HG3 GLN A 77 12.124 -11.152 10.489 1.00 75.00 H new ATOM 0 HE21 GLN A 77 11.719 -10.041 8.452 1.00 75.00 H new ATOM 0 HE22 GLN A 77 10.074 -9.600 7.983 1.00 75.00 H new ATOM 1234 N ASN A 78 10.130 -16.129 7.984 1.00 75.00 N ATOM 1235 CA ASN A 78 10.394 -17.442 7.364 1.00 75.00 C ATOM 1236 C ASN A 78 9.314 -17.723 6.275 1.00 75.00 C ATOM 1237 O ASN A 78 9.687 -17.895 5.113 1.00 75.00 O ATOM 1238 CB ASN A 78 10.496 -18.590 8.426 1.00 75.00 C ATOM 1239 CG ASN A 78 10.795 -19.968 7.818 1.00 75.00 C ATOM 1240 OD1 ASN A 78 9.890 -20.695 7.411 1.00 75.00 O ATOM 1241 ND2 ASN A 78 12.060 -20.354 7.782 1.00 75.00 N ATOM 0 H ASN A 78 9.154 -15.842 7.916 1.00 75.00 H new ATOM 0 HA ASN A 78 11.370 -17.414 6.880 1.00 75.00 H new ATOM 0 HB2 ASN A 78 11.279 -18.341 9.143 1.00 75.00 H new ATOM 0 HB3 ASN A 78 9.560 -18.643 8.982 1.00 75.00 H new ATOM 0 HD21 ASN A 78 12.303 -21.273 7.411 1.00 75.00 H new ATOM 0 HD22 ASN A 78 12.793 -19.733 8.125 1.00 75.00 H new ATOM 1248 N PRO A 79 7.948 -17.748 6.584 1.00 75.00 N ATOM 1249 CA PRO A 79 6.920 -17.868 5.520 1.00 75.00 C ATOM 1250 C PRO A 79 6.782 -16.562 4.706 1.00 75.00 C ATOM 1251 O PRO A 79 6.568 -16.595 3.485 1.00 75.00 O ATOM 1252 CB PRO A 79 5.619 -18.191 6.303 1.00 75.00 C ATOM 1253 CG PRO A 79 5.820 -17.569 7.649 1.00 75.00 C ATOM 1254 CD PRO A 79 7.303 -17.701 7.941 1.00 75.00 C ATOM 0 HA PRO A 79 7.169 -18.631 4.782 1.00 75.00 H new ATOM 0 HB2 PRO A 79 4.743 -17.778 5.803 1.00 75.00 H new ATOM 0 HB3 PRO A 79 5.462 -19.267 6.383 1.00 75.00 H new ATOM 0 HG2 PRO A 79 5.512 -16.523 7.648 1.00 75.00 H new ATOM 0 HG3 PRO A 79 5.224 -18.076 8.408 1.00 75.00 H new ATOM 0 HD2 PRO A 79 7.669 -16.858 8.526 1.00 75.00 H new ATOM 0 HD3 PRO A 79 7.516 -18.603 8.514 1.00 75.00 H new ATOM 1262 N LEU A 80 6.924 -15.413 5.401 1.00 75.00 N ATOM 1263 CA LEU A 80 6.770 -14.083 4.800 1.00 75.00 C ATOM 1264 C LEU A 80 8.147 -13.425 4.640 1.00 75.00 C ATOM 1265 O LEU A 80 8.900 -13.315 5.611 1.00 75.00 O ATOM 1266 CB LEU A 80 5.848 -13.187 5.666 1.00 75.00 C ATOM 1267 CG LEU A 80 4.427 -13.748 6.002 1.00 75.00 C ATOM 1268 CD1 LEU A 80 3.544 -12.664 6.641 1.00 75.00 C ATOM 1269 CD2 LEU A 80 3.740 -14.368 4.767 1.00 75.00 C ATOM 0 H LEU A 80 7.149 -15.388 6.396 1.00 75.00 H new ATOM 0 HA LEU A 80 6.308 -14.197 3.820 1.00 75.00 H new ATOM 0 HB2 LEU A 80 6.361 -12.980 6.605 1.00 75.00 H new ATOM 0 HB3 LEU A 80 5.723 -12.233 5.153 1.00 75.00 H new ATOM 0 HG LEU A 80 4.562 -14.550 6.728 1.00 75.00 H new ATOM 0 HD11 LEU A 80 2.562 -13.080 6.865 1.00 75.00 H new ATOM 0 HD12 LEU A 80 4.008 -12.313 7.563 1.00 75.00 H new ATOM 0 HD13 LEU A 80 3.435 -11.829 5.949 1.00 75.00 H new ATOM 0 HD21 LEU A 80 2.756 -14.744 5.048 1.00 75.00 H new ATOM 0 HD22 LEU A 80 3.630 -13.609 3.992 1.00 75.00 H new ATOM 0 HD23 LEU A 80 4.347 -15.189 4.387 1.00 75.00 H new ATOM 1281 N LYS A 81 8.460 -13.004 3.401 1.00 75.00 N ATOM 1282 CA LYS A 81 9.744 -12.390 3.030 1.00 75.00 C ATOM 1283 C LYS A 81 9.513 -10.987 2.441 1.00 75.00 C ATOM 1284 O LYS A 81 8.542 -10.761 1.716 1.00 75.00 O ATOM 1285 CB LYS A 81 10.466 -13.270 1.974 1.00 75.00 C ATOM 1286 CG LYS A 81 10.715 -14.728 2.415 1.00 75.00 C ATOM 1287 CD LYS A 81 11.393 -15.581 1.324 1.00 75.00 C ATOM 1288 CE LYS A 81 12.787 -15.064 0.915 1.00 75.00 C ATOM 1289 NZ LYS A 81 13.724 -15.005 2.072 1.00 75.00 N ATOM 0 H LYS A 81 7.814 -13.083 2.616 1.00 75.00 H new ATOM 0 HA LYS A 81 10.360 -12.310 3.925 1.00 75.00 H new ATOM 0 HB2 LYS A 81 9.873 -13.277 1.059 1.00 75.00 H new ATOM 0 HB3 LYS A 81 11.423 -12.810 1.730 1.00 75.00 H new ATOM 0 HG2 LYS A 81 11.338 -14.730 3.309 1.00 75.00 H new ATOM 0 HG3 LYS A 81 9.765 -15.186 2.688 1.00 75.00 H new ATOM 0 HD2 LYS A 81 11.485 -16.607 1.681 1.00 75.00 H new ATOM 0 HD3 LYS A 81 10.751 -15.607 0.443 1.00 75.00 H new ATOM 0 HE2 LYS A 81 13.203 -15.714 0.145 1.00 75.00 H new ATOM 0 HE3 LYS A 81 12.691 -14.071 0.476 1.00 75.00 H new ATOM 0 HZ1 LYS A 81 14.675 -14.750 1.736 1.00 75.00 H new ATOM 0 HZ2 LYS A 81 13.393 -14.290 2.750 1.00 75.00 H new ATOM 0 HZ3 LYS A 81 13.759 -15.934 2.538 1.00 75.00 H new ATOM 1303 N ILE A 82 10.422 -10.062 2.761 1.00 75.00 N ATOM 1304 CA ILE A 82 10.495 -8.717 2.142 1.00 75.00 C ATOM 1305 C ILE A 82 11.849 -8.579 1.415 1.00 75.00 C ATOM 1306 O ILE A 82 12.574 -9.568 1.266 1.00 75.00 O ATOM 1307 CB ILE A 82 10.329 -7.576 3.224 1.00 75.00 C ATOM 1308 CG1 ILE A 82 11.396 -7.718 4.359 1.00 75.00 C ATOM 1309 CG2 ILE A 82 8.892 -7.567 3.798 1.00 75.00 C ATOM 1310 CD1 ILE A 82 11.369 -6.619 5.409 1.00 75.00 C ATOM 0 H ILE A 82 11.142 -10.219 3.466 1.00 75.00 H new ATOM 0 HA ILE A 82 9.678 -8.608 1.429 1.00 75.00 H new ATOM 0 HB ILE A 82 10.497 -6.617 2.734 1.00 75.00 H new ATOM 0 HG12 ILE A 82 11.251 -8.677 4.855 1.00 75.00 H new ATOM 0 HG13 ILE A 82 12.387 -7.741 3.905 1.00 75.00 H new ATOM 0 HG21 ILE A 82 8.802 -6.774 4.540 1.00 75.00 H new ATOM 0 HG22 ILE A 82 8.179 -7.393 2.992 1.00 75.00 H new ATOM 0 HG23 ILE A 82 8.681 -8.528 4.267 1.00 75.00 H new ATOM 0 HD11 ILE A 82 12.145 -6.806 6.152 1.00 75.00 H new ATOM 0 HD12 ILE A 82 11.548 -5.655 4.932 1.00 75.00 H new ATOM 0 HD13 ILE A 82 10.395 -6.606 5.897 1.00 75.00 H new ATOM 1322 N ARG A 83 12.177 -7.365 0.950 1.00 75.00 N ATOM 1323 CA ARG A 83 13.465 -7.075 0.280 1.00 75.00 C ATOM 1324 C ARG A 83 14.082 -5.788 0.854 1.00 75.00 C ATOM 1325 O ARG A 83 13.480 -5.149 1.726 1.00 75.00 O ATOM 1326 CB ARG A 83 13.262 -6.977 -1.252 1.00 75.00 C ATOM 1327 CG ARG A 83 12.267 -5.888 -1.717 1.00 75.00 C ATOM 1328 CD ARG A 83 12.186 -5.786 -3.254 1.00 75.00 C ATOM 1329 NE ARG A 83 11.841 -7.080 -3.883 1.00 75.00 N ATOM 1330 CZ ARG A 83 11.931 -7.357 -5.195 1.00 75.00 C ATOM 1331 NH1 ARG A 83 12.343 -6.441 -6.070 1.00 75.00 N ATOM 1332 NH2 ARG A 83 11.618 -8.566 -5.626 1.00 75.00 N ATOM 0 H ARG A 83 11.562 -6.554 1.025 1.00 75.00 H new ATOM 0 HA ARG A 83 14.161 -7.892 0.470 1.00 75.00 H new ATOM 0 HB2 ARG A 83 14.228 -6.786 -1.719 1.00 75.00 H new ATOM 0 HB3 ARG A 83 12.916 -7.943 -1.619 1.00 75.00 H new ATOM 0 HG2 ARG A 83 11.277 -6.109 -1.317 1.00 75.00 H new ATOM 0 HG3 ARG A 83 12.569 -4.924 -1.307 1.00 75.00 H new ATOM 0 HD2 ARG A 83 11.440 -5.040 -3.528 1.00 75.00 H new ATOM 0 HD3 ARG A 83 13.142 -5.438 -3.644 1.00 75.00 H new ATOM 0 HE ARG A 83 11.507 -7.824 -3.270 1.00 75.00 H new ATOM 0 HH11 ARG A 83 12.598 -5.507 -5.749 1.00 75.00 H new ATOM 0 HH12 ARG A 83 12.404 -6.674 -7.061 1.00 75.00 H new ATOM 0 HH21 ARG A 83 11.311 -9.280 -4.965 1.00 75.00 H new ATOM 0 HH22 ARG A 83 11.683 -8.786 -6.620 1.00 75.00 H new ATOM 1346 N LEU A 84 15.290 -5.428 0.361 1.00 75.00 N ATOM 1347 CA LEU A 84 16.026 -4.231 0.814 1.00 75.00 C ATOM 1348 C LEU A 84 15.227 -2.949 0.518 1.00 75.00 C ATOM 1349 O LEU A 84 14.872 -2.692 -0.639 1.00 75.00 O ATOM 1350 CB LEU A 84 17.421 -4.143 0.129 1.00 75.00 C ATOM 1351 CG LEU A 84 18.423 -5.299 0.433 1.00 75.00 C ATOM 1352 CD1 LEU A 84 19.773 -5.078 -0.286 1.00 75.00 C ATOM 1353 CD2 LEU A 84 18.626 -5.487 1.955 1.00 75.00 C ATOM 0 H LEU A 84 15.778 -5.959 -0.360 1.00 75.00 H new ATOM 0 HA LEU A 84 16.165 -4.321 1.891 1.00 75.00 H new ATOM 0 HB2 LEU A 84 17.269 -4.099 -0.949 1.00 75.00 H new ATOM 0 HB3 LEU A 84 17.886 -3.202 0.424 1.00 75.00 H new ATOM 0 HG LEU A 84 17.986 -6.218 0.043 1.00 75.00 H new ATOM 0 HD11 LEU A 84 20.448 -5.901 -0.053 1.00 75.00 H new ATOM 0 HD12 LEU A 84 19.609 -5.037 -1.363 1.00 75.00 H new ATOM 0 HD13 LEU A 84 20.215 -4.140 0.050 1.00 75.00 H new ATOM 0 HD21 LEU A 84 19.330 -6.300 2.130 1.00 75.00 H new ATOM 0 HD22 LEU A 84 19.020 -4.567 2.386 1.00 75.00 H new ATOM 0 HD23 LEU A 84 17.671 -5.727 2.423 1.00 75.00 H new ATOM 1365 N THR A 85 14.948 -2.159 1.577 1.00 75.00 N ATOM 1366 CA THR A 85 14.271 -0.854 1.464 1.00 75.00 C ATOM 1367 C THR A 85 15.197 0.170 0.764 1.00 75.00 C ATOM 1368 O THR A 85 16.348 -0.145 0.424 1.00 75.00 O ATOM 1369 CB THR A 85 13.810 -0.332 2.881 1.00 75.00 C ATOM 1370 OG1 THR A 85 12.943 0.809 2.738 1.00 75.00 O ATOM 1371 CG2 THR A 85 15.001 0.046 3.796 1.00 75.00 C ATOM 0 H THR A 85 15.188 -2.411 2.536 1.00 75.00 H new ATOM 0 HA THR A 85 13.376 -0.979 0.854 1.00 75.00 H new ATOM 0 HB THR A 85 13.275 -1.155 3.354 1.00 75.00 H new ATOM 0 HG1 THR A 85 12.057 0.594 3.098 1.00 75.00 H new ATOM 0 HG21 THR A 85 14.625 0.398 4.756 1.00 75.00 H new ATOM 0 HG22 THR A 85 15.632 -0.829 3.952 1.00 75.00 H new ATOM 0 HG23 THR A 85 15.586 0.835 3.324 1.00 75.00 H new ATOM 1379 N ARG A 86 14.686 1.386 0.537 1.00 75.00 N ATOM 1380 CA ARG A 86 15.452 2.459 -0.118 1.00 75.00 C ATOM 1381 C ARG A 86 16.658 2.917 0.720 1.00 75.00 C ATOM 1382 O ARG A 86 17.695 3.274 0.143 1.00 75.00 O ATOM 1383 CB ARG A 86 14.546 3.680 -0.437 1.00 75.00 C ATOM 1384 CG ARG A 86 13.819 3.612 -1.798 1.00 75.00 C ATOM 1385 CD ARG A 86 13.166 4.958 -2.153 1.00 75.00 C ATOM 1386 NE ARG A 86 14.136 6.073 -2.046 1.00 75.00 N ATOM 1387 CZ ARG A 86 13.839 7.346 -1.727 1.00 75.00 C ATOM 1388 NH1 ARG A 86 12.584 7.722 -1.487 1.00 75.00 N ATOM 1389 NH2 ARG A 86 14.815 8.234 -1.624 1.00 75.00 N ATOM 0 H ARG A 86 13.738 1.655 0.799 1.00 75.00 H new ATOM 0 HA ARG A 86 15.831 2.038 -1.049 1.00 75.00 H new ATOM 0 HB2 ARG A 86 13.801 3.777 0.352 1.00 75.00 H new ATOM 0 HB3 ARG A 86 15.156 4.583 -0.412 1.00 75.00 H new ATOM 0 HG2 ARG A 86 14.528 3.333 -2.577 1.00 75.00 H new ATOM 0 HG3 ARG A 86 13.057 2.833 -1.767 1.00 75.00 H new ATOM 0 HD2 ARG A 86 12.768 4.915 -3.167 1.00 75.00 H new ATOM 0 HD3 ARG A 86 12.323 5.142 -1.487 1.00 75.00 H new ATOM 0 HE ARG A 86 15.116 5.856 -2.230 1.00 75.00 H new ATOM 0 HH11 ARG A 86 11.828 7.040 -1.544 1.00 75.00 H new ATOM 0 HH12 ARG A 86 12.379 8.692 -1.247 1.00 75.00 H new ATOM 0 HH21 ARG A 86 15.781 7.951 -1.786 1.00 75.00 H new ATOM 0 HH22 ARG A 86 14.601 9.202 -1.383 1.00 75.00 H new ATOM 1403 N GLU A 87 16.505 2.888 2.065 1.00 75.00 N ATOM 1404 CA GLU A 87 17.445 3.518 3.013 1.00 75.00 C ATOM 1405 C GLU A 87 17.422 5.054 2.794 1.00 75.00 C ATOM 1406 O GLU A 87 18.141 5.589 1.939 1.00 75.00 O ATOM 1407 CB GLU A 87 18.892 2.935 2.899 1.00 75.00 C ATOM 1408 CG GLU A 87 19.941 3.570 3.848 1.00 75.00 C ATOM 1409 CD GLU A 87 21.386 3.194 3.481 1.00 75.00 C ATOM 1410 OE1 GLU A 87 21.929 3.780 2.523 1.00 75.00 O ATOM 1411 OE2 GLU A 87 21.984 2.310 4.133 1.00 75.00 O ATOM 0 H GLU A 87 15.720 2.423 2.522 1.00 75.00 H new ATOM 0 HA GLU A 87 17.121 3.292 4.029 1.00 75.00 H new ATOM 0 HB2 GLU A 87 18.850 1.864 3.096 1.00 75.00 H new ATOM 0 HB3 GLU A 87 19.235 3.057 1.872 1.00 75.00 H new ATOM 0 HG2 GLU A 87 19.836 4.655 3.824 1.00 75.00 H new ATOM 0 HG3 GLU A 87 19.737 3.253 4.871 1.00 75.00 H new ATOM 1418 N ALA A 88 16.528 5.735 3.521 1.00 75.00 N ATOM 1419 CA ALA A 88 16.326 7.187 3.430 1.00 75.00 C ATOM 1420 C ALA A 88 16.194 7.759 4.859 1.00 75.00 C ATOM 1421 O ALA A 88 15.269 7.368 5.580 1.00 75.00 O ATOM 1422 CB ALA A 88 15.078 7.494 2.576 1.00 75.00 C ATOM 0 H ALA A 88 15.914 5.286 4.200 1.00 75.00 H new ATOM 0 HA ALA A 88 17.178 7.659 2.942 1.00 75.00 H new ATOM 0 HB1 ALA A 88 14.936 8.573 2.514 1.00 75.00 H new ATOM 0 HB2 ALA A 88 15.214 7.088 1.574 1.00 75.00 H new ATOM 0 HB3 ALA A 88 14.201 7.038 3.036 1.00 75.00 H new ATOM 1428 N PRO A 89 17.147 8.640 5.314 1.00 75.00 N ATOM 1429 CA PRO A 89 17.112 9.223 6.676 1.00 75.00 C ATOM 1430 C PRO A 89 15.996 10.299 6.814 1.00 75.00 C ATOM 1431 O PRO A 89 16.179 11.443 6.351 1.00 75.00 O ATOM 1432 CB PRO A 89 18.549 9.793 6.865 1.00 75.00 C ATOM 1433 CG PRO A 89 19.049 10.077 5.472 1.00 75.00 C ATOM 1434 CD PRO A 89 18.340 9.099 4.545 1.00 75.00 C ATOM 1435 OXT PRO A 89 14.924 9.985 7.362 1.00 75.00 O ATOM 0 HA PRO A 89 16.862 8.498 7.450 1.00 75.00 H new ATOM 0 HB2 PRO A 89 18.536 10.699 7.471 1.00 75.00 H new ATOM 0 HB3 PRO A 89 19.193 9.077 7.376 1.00 75.00 H new ATOM 0 HG2 PRO A 89 18.834 11.107 5.186 1.00 75.00 H new ATOM 0 HG3 PRO A 89 20.130 9.950 5.415 1.00 75.00 H new ATOM 0 HD2 PRO A 89 18.048 9.580 3.612 1.00 75.00 H new ATOM 0 HD3 PRO A 89 18.988 8.262 4.283 1.00 75.00 H new TER 1443 PRO A 89