USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 910 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: 1 29 SER OG : rot 40:sc= -1.32! USER MOD Set 1.2: 1 89 LYS NZ :NH3+ -105:sc= -0.623 (180deg=-2.41!) USER MOD Single : 1 0 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 4 SER OG : rot 180:sc= 0 USER MOD Single : 1 5 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 6 SER OG : rot 37:sc= 0.0624 USER MOD Single : 1 -1 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : 1 -2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 -3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : 1 -3 MET N :NH3+ -173:sc= 0 (180deg=-0.0541) USER MOD Single : 1 11 THR OG1 : rot -27:sc= 0.781 USER MOD Single : 1 13 ASN : amide:sc= -0.309 K(o=-0.31,f=0.9) USER MOD Single : 1 15 TYR OH : rot 180:sc= 0 USER MOD Single : 1 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 18 SER OG : rot 44:sc= 0.358 USER MOD Single : 1 19 ASN : amide:sc= -0.376 K(o=-0.38,f=-2.7!) USER MOD Single : 1 22 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.115) USER MOD Single : 1 23 MET CE :methyl -162:sc= -0.218 (180deg=-0.645) USER MOD Single : 1 31 GLN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : 1 32 THR OG1 : rot -60:sc= -2.25! USER MOD Single : 1 33 SER OG : rot 180:sc= -2.22! USER MOD Single : 1 36 SER OG : rot 180:sc= 0 USER MOD Single : 1 40 TYR OH : rot 131:sc= 0.0754 USER MOD Single : 1 42 SER OG : rot 180:sc= 0 USER MOD Single : 1 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 50 CYS SG : rot -155:sc= -2.28 USER MOD Single : 1 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : 1 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : 1 57 THR OG1 : rot 180:sc= 0.00961 USER MOD Single : 1 58 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 61 SER OG : rot 180:sc=0.000531 USER MOD Single : 1 68 THR OG1 : rot 82:sc= 0.102 USER MOD Single : 1 74 SER OG : rot -154:sc= -0.0766! USER MOD Single : 1 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 81 GLN : amide:sc= -0.316 X(o=-0.32,f=0) USER MOD Single : 1 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 84 HIS : no HD1:sc= -0.153 X(o=-0.15,f=-0.086) USER MOD Single : 1 88 SER OG : rot 180:sc= 0 USER MOD Single : 1 90 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : 1 107 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 109 THR OG1 : rot 48:sc= 0.121 USER MOD Single : 1 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 111 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0103) USER MOD ----------------------------------------------------------------- ATOM 1 N MET 1 -3 -2.930 25.479 34.349 1.00 0.00 N ATOM 2 CA MET 1 -3 -2.590 26.567 33.394 1.00 0.00 C ATOM 3 C MET 1 -3 -3.042 26.214 31.975 1.00 0.00 C ATOM 4 O MET 1 -3 -3.562 27.071 31.253 1.00 0.00 O ATOM 5 CB MET 1 -3 -1.080 26.831 33.415 1.00 0.00 C ATOM 6 CG MET 1 -3 -0.713 28.305 33.318 1.00 0.00 C ATOM 7 SD MET 1 -3 -1.272 29.255 34.746 1.00 0.00 S ATOM 8 CE MET 1 -3 -0.640 30.881 34.341 1.00 0.00 C ATOM 0 H1 MET 1 -3 -2.722 25.791 35.319 1.00 0.00 H new ATOM 0 H2 MET 1 -3 -3.941 25.250 34.269 1.00 0.00 H new ATOM 0 H3 MET 1 -3 -2.365 24.634 34.128 1.00 0.00 H new ATOM 0 HA MET 1 -3 -3.117 27.470 33.704 1.00 0.00 H new ATOM 0 HB2 MET 1 -3 -0.662 26.422 34.335 1.00 0.00 H new ATOM 0 HB3 MET 1 -3 -0.615 26.295 32.587 1.00 0.00 H new ATOM 0 HG2 MET 1 -3 0.369 28.401 33.224 1.00 0.00 H new ATOM 0 HG3 MET 1 -3 -1.151 28.726 32.413 1.00 0.00 H new ATOM 0 HE1 MET 1 -3 -0.906 31.582 35.132 1.00 0.00 H new ATOM 0 HE2 MET 1 -3 0.445 30.836 34.245 1.00 0.00 H new ATOM 0 HE3 MET 1 -3 -1.074 31.216 33.399 1.00 0.00 H new ATOM 20 N HIS 1 -2 -2.839 24.947 31.587 1.00 0.00 N ATOM 21 CA HIS 1 -2 -3.223 24.462 30.260 1.00 0.00 C ATOM 22 C HIS 1 -2 -4.307 23.394 30.366 1.00 0.00 C ATOM 23 O HIS 1 -2 -4.238 22.515 31.230 1.00 0.00 O ATOM 24 CB HIS 1 -2 -2.005 23.898 29.522 1.00 0.00 C ATOM 25 CG HIS 1 -2 -1.042 24.948 29.057 1.00 0.00 C ATOM 26 ND1 HIS 1 -2 0.125 25.251 29.727 1.00 0.00 N ATOM 27 CD2 HIS 1 -2 -1.076 25.765 27.977 1.00 0.00 C ATOM 28 CE1 HIS 1 -2 0.765 26.210 29.081 1.00 0.00 C ATOM 29 NE2 HIS 1 -2 0.058 26.537 28.016 1.00 0.00 N ATOM 0 H HIS 1 -2 -2.408 24.238 32.180 1.00 0.00 H new ATOM 0 HA HIS 1 -2 -3.620 25.305 29.695 1.00 0.00 H new ATOM 0 HB2 HIS 1 -2 -1.482 23.204 30.180 1.00 0.00 H new ATOM 0 HB3 HIS 1 -2 -2.347 23.324 28.661 1.00 0.00 H new ATOM 0 HD2 HIS 1 -2 -1.851 25.802 27.226 1.00 0.00 H new ATOM 0 HE1 HIS 1 -2 1.706 26.651 29.375 1.00 0.00 H new ATOM 0 HE2 HIS 1 -2 0.313 27.249 27.332 1.00 0.00 H new ATOM 38 N HIS 1 -1 -5.304 23.483 29.480 1.00 0.00 N ATOM 39 CA HIS 1 -1 -6.417 22.533 29.458 1.00 0.00 C ATOM 40 C HIS 1 -1 -6.409 21.701 28.179 1.00 0.00 C ATOM 41 O HIS 1 -1 -6.023 22.191 27.114 1.00 0.00 O ATOM 42 CB HIS 1 -1 -7.750 23.275 29.582 1.00 0.00 C ATOM 43 CG HIS 1 -1 -8.041 23.765 30.967 1.00 0.00 C ATOM 44 ND1 HIS 1 -1 -7.349 24.800 31.563 1.00 0.00 N ATOM 45 CD2 HIS 1 -1 -8.959 23.358 31.876 1.00 0.00 C ATOM 46 CE1 HIS 1 -1 -7.828 25.006 32.777 1.00 0.00 C ATOM 47 NE2 HIS 1 -1 -8.805 24.145 32.990 1.00 0.00 N ATOM 0 H HIS 1 -1 -5.361 24.208 28.765 1.00 0.00 H new ATOM 0 HA HIS 1 -1 -6.297 21.860 30.307 1.00 0.00 H new ATOM 0 HB2 HIS 1 -1 -7.748 24.124 28.899 1.00 0.00 H new ATOM 0 HB3 HIS 1 -1 -8.555 22.613 29.264 1.00 0.00 H new ATOM 0 HD2 HIS 1 -1 -9.678 22.562 31.748 1.00 0.00 H new ATOM 0 HE1 HIS 1 -1 -7.479 25.752 33.476 1.00 0.00 H new ATOM 0 HE2 HIS 1 -1 -9.357 24.075 33.845 1.00 0.00 H new ATOM 56 N HIS 1 0 -6.838 20.440 28.302 1.00 0.00 N ATOM 57 CA HIS 1 0 -6.900 19.518 27.167 1.00 0.00 C ATOM 58 C HIS 1 0 -8.324 19.423 26.628 1.00 0.00 C ATOM 59 O HIS 1 0 -9.283 19.355 27.403 1.00 0.00 O ATOM 60 CB HIS 1 0 -6.404 18.130 27.578 1.00 0.00 C ATOM 61 CG HIS 1 0 -4.915 18.039 27.716 1.00 0.00 C ATOM 62 ND1 HIS 1 0 -4.259 18.177 28.921 1.00 0.00 N ATOM 63 CD2 HIS 1 0 -3.952 17.815 26.789 1.00 0.00 C ATOM 64 CE1 HIS 1 0 -2.958 18.043 28.730 1.00 0.00 C ATOM 65 NE2 HIS 1 0 -2.747 17.822 27.446 1.00 0.00 N ATOM 0 H HIS 1 0 -7.149 20.034 29.184 1.00 0.00 H new ATOM 0 HA HIS 1 0 -6.254 19.905 26.379 1.00 0.00 H new ATOM 0 HB2 HIS 1 0 -6.865 17.855 28.527 1.00 0.00 H new ATOM 0 HB3 HIS 1 0 -6.737 17.401 26.839 1.00 0.00 H new ATOM 0 HD2 HIS 1 0 -4.104 17.660 25.731 1.00 0.00 H new ATOM 0 HE1 HIS 1 0 -2.197 18.104 29.494 1.00 0.00 H new ATOM 0 HE2 HIS 1 0 -1.835 17.679 27.012 1.00 0.00 H new ATOM 74 N HIS 1 1 -8.448 19.418 25.297 1.00 0.00 N ATOM 75 CA HIS 1 1 -9.751 19.339 24.636 1.00 0.00 C ATOM 76 C HIS 1 1 -10.055 17.909 24.193 1.00 0.00 C ATOM 77 O HIS 1 1 -9.173 17.205 23.692 1.00 0.00 O ATOM 78 CB HIS 1 1 -9.790 20.282 23.429 1.00 0.00 C ATOM 79 CG HIS 1 1 -11.150 20.848 23.149 1.00 0.00 C ATOM 80 ND1 HIS 1 1 -12.033 20.282 22.252 1.00 0.00 N ATOM 81 CD2 HIS 1 1 -11.776 21.939 23.652 1.00 0.00 C ATOM 82 CE1 HIS 1 1 -13.142 21.001 22.215 1.00 0.00 C ATOM 83 NE2 HIS 1 1 -13.010 22.010 23.056 1.00 0.00 N ATOM 0 H HIS 1 1 -7.657 19.468 24.655 1.00 0.00 H new ATOM 0 HA HIS 1 1 -10.513 19.644 25.353 1.00 0.00 H new ATOM 0 HB2 HIS 1 1 -9.093 21.103 23.598 1.00 0.00 H new ATOM 0 HB3 HIS 1 1 -9.442 19.744 22.547 1.00 0.00 H new ATOM 0 HD2 HIS 1 1 -11.378 22.625 24.385 1.00 0.00 H new ATOM 0 HE1 HIS 1 1 -14.008 20.798 21.602 1.00 0.00 H new ATOM 0 HE2 HIS 1 1 -13.713 22.727 23.234 1.00 0.00 H new ATOM 92 N HIS 1 2 -11.311 17.497 24.385 1.00 0.00 N ATOM 93 CA HIS 1 2 -11.765 16.157 24.009 1.00 0.00 C ATOM 94 C HIS 1 2 -12.998 16.238 23.115 1.00 0.00 C ATOM 95 O HIS 1 2 -13.837 17.127 23.284 1.00 0.00 O ATOM 96 CB HIS 1 2 -12.081 15.324 25.256 1.00 0.00 C ATOM 97 CG HIS 1 2 -10.870 14.920 26.041 1.00 0.00 C ATOM 98 ND1 HIS 1 2 -10.493 15.539 27.215 1.00 0.00 N ATOM 99 CD2 HIS 1 2 -9.952 13.949 25.819 1.00 0.00 C ATOM 100 CE1 HIS 1 2 -9.396 14.966 27.680 1.00 0.00 C ATOM 101 NE2 HIS 1 2 -9.049 13.999 26.851 1.00 0.00 N ATOM 0 H HIS 1 2 -12.037 18.079 24.803 1.00 0.00 H new ATOM 0 HA HIS 1 2 -10.961 15.672 23.456 1.00 0.00 H new ATOM 0 HB2 HIS 1 2 -12.747 15.895 25.903 1.00 0.00 H new ATOM 0 HB3 HIS 1 2 -12.622 14.427 24.954 1.00 0.00 H new ATOM 0 HD2 HIS 1 2 -9.934 13.263 24.985 1.00 0.00 H new ATOM 0 HE1 HIS 1 2 -8.873 15.242 28.584 1.00 0.00 H new ATOM 0 HE2 HIS 1 2 -8.240 13.387 26.960 1.00 0.00 H new ATOM 110 N HIS 1 3 -13.094 15.301 22.165 1.00 0.00 N ATOM 111 CA HIS 1 3 -14.223 15.246 21.232 1.00 0.00 C ATOM 112 C HIS 1 3 -15.288 14.272 21.726 1.00 0.00 C ATOM 113 O HIS 1 3 -14.964 13.230 22.304 1.00 0.00 O ATOM 114 CB HIS 1 3 -13.744 14.835 19.836 1.00 0.00 C ATOM 115 CG HIS 1 3 -12.932 15.887 19.141 1.00 0.00 C ATOM 116 ND1 HIS 1 3 -13.437 16.689 18.138 1.00 0.00 N ATOM 117 CD2 HIS 1 3 -11.642 16.267 19.309 1.00 0.00 C ATOM 118 CE1 HIS 1 3 -12.494 17.515 17.720 1.00 0.00 C ATOM 119 NE2 HIS 1 3 -11.397 17.280 18.415 1.00 0.00 N ATOM 0 H HIS 1 3 -12.399 14.568 22.023 1.00 0.00 H new ATOM 0 HA HIS 1 3 -14.664 16.241 21.176 1.00 0.00 H new ATOM 0 HB2 HIS 1 3 -13.149 13.926 19.919 1.00 0.00 H new ATOM 0 HB3 HIS 1 3 -14.611 14.593 19.221 1.00 0.00 H new ATOM 0 HD2 HIS 1 3 -10.938 15.851 20.014 1.00 0.00 H new ATOM 0 HE1 HIS 1 3 -12.603 18.256 16.942 1.00 0.00 H new ATOM 0 HE2 HIS 1 3 -10.510 17.772 18.306 1.00 0.00 H new ATOM 128 N SER 1 4 -16.557 14.620 21.488 1.00 0.00 N ATOM 129 CA SER 1 4 -17.688 13.789 21.910 1.00 0.00 C ATOM 130 C SER 1 4 -18.371 13.119 20.715 1.00 0.00 C ATOM 131 O SER 1 4 -18.856 11.989 20.830 1.00 0.00 O ATOM 132 CB SER 1 4 -18.701 14.633 22.688 1.00 0.00 C ATOM 133 OG SER 1 4 -19.097 15.774 21.945 1.00 0.00 O ATOM 0 H SER 1 4 -16.827 15.476 21.003 1.00 0.00 H new ATOM 0 HA SER 1 4 -17.300 13.003 22.557 1.00 0.00 H new ATOM 0 HB2 SER 1 4 -19.576 14.028 22.925 1.00 0.00 H new ATOM 0 HB3 SER 1 4 -18.265 14.947 23.636 1.00 0.00 H new ATOM 0 HG SER 1 4 -19.745 16.294 22.465 1.00 0.00 H new ATOM 139 N THR 1 5 -18.409 13.823 19.576 1.00 0.00 N ATOM 140 CA THR 1 5 -19.025 13.297 18.354 1.00 0.00 C ATOM 141 C THR 1 5 -17.969 12.630 17.453 1.00 0.00 C ATOM 142 O THR 1 5 -17.282 13.298 16.672 1.00 0.00 O ATOM 143 CB THR 1 5 -19.828 14.398 17.580 1.00 0.00 C ATOM 144 OG1 THR 1 5 -20.299 13.886 16.325 1.00 0.00 O ATOM 145 CG2 THR 1 5 -19.010 15.671 17.332 1.00 0.00 C ATOM 0 H THR 1 5 -18.019 14.760 19.477 1.00 0.00 H new ATOM 0 HA THR 1 5 -19.745 12.535 18.652 1.00 0.00 H new ATOM 0 HB THR 1 5 -20.671 14.667 18.217 1.00 0.00 H new ATOM 0 HG1 THR 1 5 -20.800 14.584 15.854 1.00 0.00 H new ATOM 0 HG21 THR 1 5 -19.620 16.396 16.792 1.00 0.00 H new ATOM 0 HG22 THR 1 5 -18.700 16.096 18.287 1.00 0.00 H new ATOM 0 HG23 THR 1 5 -18.128 15.427 16.740 1.00 0.00 H new ATOM 153 N SER 1 6 -17.841 11.307 17.599 1.00 0.00 N ATOM 154 CA SER 1 6 -16.878 10.522 16.823 1.00 0.00 C ATOM 155 C SER 1 6 -17.551 9.325 16.150 1.00 0.00 C ATOM 156 O SER 1 6 -18.212 8.521 16.815 1.00 0.00 O ATOM 157 CB SER 1 6 -15.733 10.048 17.725 1.00 0.00 C ATOM 158 OG SER 1 6 -16.225 9.347 18.855 1.00 0.00 O ATOM 0 H SER 1 6 -18.397 10.755 18.252 1.00 0.00 H new ATOM 0 HA SER 1 6 -16.474 11.164 16.040 1.00 0.00 H new ATOM 0 HB2 SER 1 6 -15.063 9.403 17.157 1.00 0.00 H new ATOM 0 HB3 SER 1 6 -15.147 10.906 18.053 1.00 0.00 H new ATOM 0 HG SER 1 6 -17.008 8.817 18.596 1.00 0.00 H new ATOM 164 N VAL 1 7 -17.378 9.226 14.829 1.00 0.00 N ATOM 165 CA VAL 1 7 -17.955 8.131 14.040 1.00 0.00 C ATOM 166 C VAL 1 7 -16.849 7.168 13.578 1.00 0.00 C ATOM 167 O VAL 1 7 -17.036 5.948 13.594 1.00 0.00 O ATOM 168 CB VAL 1 7 -18.744 8.661 12.799 1.00 0.00 C ATOM 169 CG1 VAL 1 7 -19.566 7.553 12.142 1.00 0.00 C ATOM 170 CG2 VAL 1 7 -19.659 9.825 13.173 1.00 0.00 C ATOM 0 H VAL 1 7 -16.839 9.895 14.279 1.00 0.00 H new ATOM 0 HA VAL 1 7 -18.657 7.601 14.683 1.00 0.00 H new ATOM 0 HB VAL 1 7 -18.001 9.016 12.084 1.00 0.00 H new ATOM 0 HG11 VAL 1 7 -20.101 7.958 11.283 1.00 0.00 H new ATOM 0 HG12 VAL 1 7 -18.902 6.754 11.812 1.00 0.00 H new ATOM 0 HG13 VAL 1 7 -20.282 7.156 12.861 1.00 0.00 H new ATOM 0 HG21 VAL 1 7 -20.192 10.168 12.286 1.00 0.00 H new ATOM 0 HG22 VAL 1 7 -20.378 9.496 13.924 1.00 0.00 H new ATOM 0 HG23 VAL 1 7 -19.061 10.642 13.576 1.00 0.00 H new ATOM 180 N ASP 1 8 -15.702 7.736 13.176 1.00 0.00 N ATOM 181 CA ASP 1 8 -14.552 6.955 12.697 1.00 0.00 C ATOM 182 C ASP 1 8 -13.716 6.398 13.855 1.00 0.00 C ATOM 183 O ASP 1 8 -13.751 6.930 14.969 1.00 0.00 O ATOM 184 CB ASP 1 8 -13.673 7.819 11.784 1.00 0.00 C ATOM 185 CG ASP 1 8 -14.322 8.091 10.440 1.00 0.00 C ATOM 186 OD1 ASP 1 8 -14.139 7.270 9.516 1.00 0.00 O ATOM 187 OD2 ASP 1 8 -15.014 9.123 10.312 1.00 0.00 O ATOM 0 H ASP 1 8 -15.546 8.744 13.174 1.00 0.00 H new ATOM 0 HA ASP 1 8 -14.942 6.107 12.134 1.00 0.00 H new ATOM 0 HB2 ASP 1 8 -13.461 8.766 12.280 1.00 0.00 H new ATOM 0 HB3 ASP 1 8 -12.717 7.320 11.628 1.00 0.00 H new ATOM 192 N LEU 1 9 -12.966 5.320 13.571 1.00 0.00 N ATOM 193 CA LEU 1 9 -12.108 4.657 14.567 1.00 0.00 C ATOM 194 C LEU 1 9 -10.794 5.423 14.789 1.00 0.00 C ATOM 195 O LEU 1 9 -10.366 6.197 13.927 1.00 0.00 O ATOM 196 CB LEU 1 9 -11.825 3.196 14.150 1.00 0.00 C ATOM 197 CG LEU 1 9 -11.342 2.974 12.703 1.00 0.00 C ATOM 198 CD1 LEU 1 9 -9.822 2.979 12.631 1.00 0.00 C ATOM 199 CD2 LEU 1 9 -11.896 1.668 12.153 1.00 0.00 C ATOM 0 H LEU 1 9 -12.937 4.885 12.649 1.00 0.00 H new ATOM 0 HA LEU 1 9 -12.646 4.653 15.515 1.00 0.00 H new ATOM 0 HB2 LEU 1 9 -11.074 2.788 14.827 1.00 0.00 H new ATOM 0 HB3 LEU 1 9 -12.736 2.617 14.298 1.00 0.00 H new ATOM 0 HG LEU 1 9 -11.713 3.796 12.091 1.00 0.00 H new ATOM 0 HD11 LEU 1 9 -9.506 2.820 11.600 1.00 0.00 H new ATOM 0 HD12 LEU 1 9 -9.444 3.939 12.983 1.00 0.00 H new ATOM 0 HD13 LEU 1 9 -9.425 2.181 13.259 1.00 0.00 H new ATOM 0 HD21 LEU 1 9 -11.546 1.526 11.131 1.00 0.00 H new ATOM 0 HD22 LEU 1 9 -11.554 0.838 12.772 1.00 0.00 H new ATOM 0 HD23 LEU 1 9 -12.985 1.703 12.162 1.00 0.00 H new ATOM 211 N GLY 1 10 -10.171 5.194 15.954 1.00 0.00 N ATOM 212 CA GLY 1 10 -8.922 5.861 16.293 1.00 0.00 C ATOM 213 C GLY 1 10 -7.880 4.905 16.841 1.00 0.00 C ATOM 214 O GLY 1 10 -7.581 4.928 18.039 1.00 0.00 O ATOM 0 H GLY 1 10 -10.516 4.554 16.669 1.00 0.00 H new ATOM 0 HA2 GLY 1 10 -8.526 6.355 15.406 1.00 0.00 H new ATOM 0 HA3 GLY 1 10 -9.119 6.640 17.030 1.00 0.00 H new ATOM 218 N THR 1 11 -7.341 4.060 15.959 1.00 0.00 N ATOM 219 CA THR 1 11 -6.311 3.078 16.334 1.00 0.00 C ATOM 220 C THR 1 11 -5.149 3.053 15.320 1.00 0.00 C ATOM 221 O THR 1 11 -4.158 2.345 15.525 1.00 0.00 O ATOM 222 CB THR 1 11 -6.914 1.646 16.512 1.00 0.00 C ATOM 223 OG1 THR 1 11 -5.880 0.702 16.821 1.00 0.00 O ATOM 224 CG2 THR 1 11 -7.682 1.169 15.276 1.00 0.00 C ATOM 0 H THR 1 11 -7.600 4.034 14.973 1.00 0.00 H new ATOM 0 HA THR 1 11 -5.911 3.397 17.296 1.00 0.00 H new ATOM 0 HB THR 1 11 -7.623 1.710 17.338 1.00 0.00 H new ATOM 0 HG1 THR 1 11 -5.031 1.012 16.443 1.00 0.00 H new ATOM 0 HG21 THR 1 11 -8.078 0.170 15.457 1.00 0.00 H new ATOM 0 HG22 THR 1 11 -8.505 1.854 15.072 1.00 0.00 H new ATOM 0 HG23 THR 1 11 -7.010 1.143 14.418 1.00 0.00 H new ATOM 232 N GLU 1 12 -5.283 3.836 14.242 1.00 0.00 N ATOM 233 CA GLU 1 12 -4.272 3.907 13.183 1.00 0.00 C ATOM 234 C GLU 1 12 -3.424 5.180 13.248 1.00 0.00 C ATOM 235 O GLU 1 12 -2.230 5.164 12.935 1.00 0.00 O ATOM 236 CB GLU 1 12 -4.962 3.800 11.814 1.00 0.00 C ATOM 237 CG GLU 1 12 -6.036 4.854 11.540 1.00 0.00 C ATOM 238 CD GLU 1 12 -6.583 4.778 10.128 1.00 0.00 C ATOM 239 OE1 GLU 1 12 -6.071 5.508 9.253 1.00 0.00 O ATOM 240 OE2 GLU 1 12 -7.523 3.989 9.896 1.00 0.00 O ATOM 0 H GLU 1 12 -6.092 4.435 14.081 1.00 0.00 H new ATOM 0 HA GLU 1 12 -3.587 3.072 13.330 1.00 0.00 H new ATOM 0 HB2 GLU 1 12 -4.202 3.869 11.036 1.00 0.00 H new ATOM 0 HB3 GLU 1 12 -5.416 2.812 11.730 1.00 0.00 H new ATOM 0 HG2 GLU 1 12 -6.854 4.727 12.249 1.00 0.00 H new ATOM 0 HG3 GLU 1 12 -5.618 5.846 11.710 1.00 0.00 H new ATOM 247 N ASN 1 13 -4.069 6.266 13.652 1.00 0.00 N ATOM 248 CA ASN 1 13 -3.446 7.593 13.746 1.00 0.00 C ATOM 249 C ASN 1 13 -2.475 7.746 14.940 1.00 0.00 C ATOM 250 O ASN 1 13 -1.827 8.790 15.072 1.00 0.00 O ATOM 251 CB ASN 1 13 -4.561 8.643 13.828 1.00 0.00 C ATOM 252 CG ASN 1 13 -4.174 9.991 13.307 1.00 0.00 C ATOM 253 OD1 ASN 1 13 -3.039 10.452 13.445 1.00 0.00 O ATOM 254 ND2 ASN 1 13 -5.143 10.628 12.695 1.00 0.00 N ATOM 0 H ASN 1 13 -5.051 6.257 13.928 1.00 0.00 H new ATOM 0 HA ASN 1 13 -2.834 7.733 12.855 1.00 0.00 H new ATOM 0 HB2 ASN 1 13 -5.425 8.284 13.268 1.00 0.00 H new ATOM 0 HB3 ASN 1 13 -4.874 8.744 14.867 1.00 0.00 H new ATOM 0 HD21 ASN 1 13 -4.976 11.555 12.303 1.00 0.00 H new ATOM 0 HD22 ASN 1 13 -6.063 10.197 12.611 1.00 0.00 H new ATOM 261 N LEU 1 14 -2.364 6.716 15.792 1.00 0.00 N ATOM 262 CA LEU 1 14 -1.459 6.774 16.956 1.00 0.00 C ATOM 263 C LEU 1 14 -0.087 6.202 16.623 1.00 0.00 C ATOM 264 O LEU 1 14 0.941 6.734 17.051 1.00 0.00 O ATOM 265 CB LEU 1 14 -2.044 6.027 18.163 1.00 0.00 C ATOM 266 CG LEU 1 14 -3.457 6.441 18.575 1.00 0.00 C ATOM 267 CD1 LEU 1 14 -4.477 5.531 17.915 1.00 0.00 C ATOM 268 CD2 LEU 1 14 -3.605 6.405 20.089 1.00 0.00 C ATOM 0 H LEU 1 14 -2.882 5.842 15.702 1.00 0.00 H new ATOM 0 HA LEU 1 14 -1.350 7.827 17.215 1.00 0.00 H new ATOM 0 HB2 LEU 1 14 -2.048 4.960 17.940 1.00 0.00 H new ATOM 0 HB3 LEU 1 14 -1.379 6.172 19.015 1.00 0.00 H new ATOM 0 HG LEU 1 14 -3.634 7.464 18.242 1.00 0.00 H new ATOM 0 HD11 LEU 1 14 -5.481 5.833 18.214 1.00 0.00 H new ATOM 0 HD12 LEU 1 14 -4.383 5.605 16.832 1.00 0.00 H new ATOM 0 HD13 LEU 1 14 -4.300 4.501 18.225 1.00 0.00 H new ATOM 0 HD21 LEU 1 14 -4.617 6.703 20.363 1.00 0.00 H new ATOM 0 HD22 LEU 1 14 -3.414 5.394 20.449 1.00 0.00 H new ATOM 0 HD23 LEU 1 14 -2.890 7.092 20.541 1.00 0.00 H new ATOM 280 N TYR 1 15 -0.097 5.137 15.827 1.00 0.00 N ATOM 281 CA TYR 1 15 1.129 4.442 15.406 1.00 0.00 C ATOM 282 C TYR 1 15 1.808 5.167 14.238 1.00 0.00 C ATOM 283 O TYR 1 15 1.145 5.547 13.269 1.00 0.00 O ATOM 284 CB TYR 1 15 0.806 2.995 15.015 1.00 0.00 C ATOM 285 CG TYR 1 15 0.475 2.114 16.200 1.00 0.00 C ATOM 286 CD1 TYR 1 15 -0.821 2.036 16.695 1.00 0.00 C ATOM 287 CD2 TYR 1 15 1.464 1.372 16.834 1.00 0.00 C ATOM 288 CE1 TYR 1 15 -1.122 1.245 17.788 1.00 0.00 C ATOM 289 CE2 TYR 1 15 1.170 0.576 17.925 1.00 0.00 C ATOM 290 CZ TYR 1 15 -0.123 0.517 18.399 1.00 0.00 C ATOM 291 OH TYR 1 15 -0.418 -0.272 19.487 1.00 0.00 O ATOM 0 H TYR 1 15 -0.952 4.726 15.452 1.00 0.00 H new ATOM 0 HA TYR 1 15 1.822 4.440 16.248 1.00 0.00 H new ATOM 0 HB2 TYR 1 15 -0.036 2.992 14.323 1.00 0.00 H new ATOM 0 HB3 TYR 1 15 1.658 2.571 14.483 1.00 0.00 H new ATOM 0 HD1 TYR 1 15 -1.607 2.603 16.218 1.00 0.00 H new ATOM 0 HD2 TYR 1 15 2.479 1.418 16.468 1.00 0.00 H new ATOM 0 HE1 TYR 1 15 -2.134 1.197 18.161 1.00 0.00 H new ATOM 0 HE2 TYR 1 15 1.950 0.003 18.404 1.00 0.00 H new ATOM 0 HH TYR 1 15 0.397 -0.719 19.798 1.00 0.00 H new ATOM 301 N PHE 1 16 3.130 5.373 14.356 1.00 0.00 N ATOM 302 CA PHE 1 16 3.920 6.056 13.332 1.00 0.00 C ATOM 303 C PHE 1 16 5.296 5.402 13.125 1.00 0.00 C ATOM 304 O PHE 1 16 6.076 5.848 12.275 1.00 0.00 O ATOM 305 CB PHE 1 16 4.097 7.540 13.695 1.00 0.00 C ATOM 306 CG PHE 1 16 3.138 8.451 12.984 1.00 0.00 C ATOM 307 CD1 PHE 1 16 3.480 9.022 11.768 1.00 0.00 C ATOM 308 CD2 PHE 1 16 1.893 8.732 13.525 1.00 0.00 C ATOM 309 CE1 PHE 1 16 2.598 9.854 11.104 1.00 0.00 C ATOM 310 CE2 PHE 1 16 1.008 9.565 12.866 1.00 0.00 C ATOM 311 CZ PHE 1 16 1.361 10.126 11.654 1.00 0.00 C ATOM 0 H PHE 1 16 3.675 5.070 15.163 1.00 0.00 H new ATOM 0 HA PHE 1 16 3.370 5.971 12.395 1.00 0.00 H new ATOM 0 HB2 PHE 1 16 3.969 7.660 14.771 1.00 0.00 H new ATOM 0 HB3 PHE 1 16 5.117 7.844 13.459 1.00 0.00 H new ATOM 0 HD1 PHE 1 16 4.447 8.814 11.334 1.00 0.00 H new ATOM 0 HD2 PHE 1 16 1.611 8.295 14.472 1.00 0.00 H new ATOM 0 HE1 PHE 1 16 2.876 10.291 10.156 1.00 0.00 H new ATOM 0 HE2 PHE 1 16 0.041 9.777 13.298 1.00 0.00 H new ATOM 0 HZ PHE 1 16 0.671 10.776 11.137 1.00 0.00 H new ATOM 321 N GLN 1 17 5.578 4.330 13.881 1.00 0.00 N ATOM 322 CA GLN 1 17 6.862 3.619 13.792 1.00 0.00 C ATOM 323 C GLN 1 17 6.874 2.591 12.654 1.00 0.00 C ATOM 324 O GLN 1 17 7.854 2.505 11.908 1.00 0.00 O ATOM 325 CB GLN 1 17 7.179 2.926 15.124 1.00 0.00 C ATOM 326 CG GLN 1 17 7.623 3.880 16.227 1.00 0.00 C ATOM 327 CD GLN 1 17 9.109 4.189 16.176 1.00 0.00 C ATOM 328 OE1 GLN 1 17 9.920 3.500 16.797 1.00 0.00 O ATOM 329 NE2 GLN 1 17 9.475 5.226 15.432 1.00 0.00 N ATOM 0 H GLN 1 17 4.931 3.935 14.564 1.00 0.00 H new ATOM 0 HA GLN 1 17 7.629 4.362 13.575 1.00 0.00 H new ATOM 0 HB2 GLN 1 17 6.295 2.384 15.460 1.00 0.00 H new ATOM 0 HB3 GLN 1 17 7.963 2.186 14.960 1.00 0.00 H new ATOM 0 HG2 GLN 1 17 7.060 4.810 16.145 1.00 0.00 H new ATOM 0 HG3 GLN 1 17 7.380 3.445 17.197 1.00 0.00 H new ATOM 0 HE21 GLN 1 17 8.771 5.770 14.934 1.00 0.00 H new ATOM 0 HE22 GLN 1 17 10.461 5.478 15.359 1.00 0.00 H new ATOM 338 N SER 1 18 5.783 1.823 12.523 1.00 0.00 N ATOM 339 CA SER 1 18 5.672 0.799 11.481 1.00 0.00 C ATOM 340 C SER 1 18 5.000 1.350 10.217 1.00 0.00 C ATOM 341 O SER 1 18 3.788 1.599 10.198 1.00 0.00 O ATOM 342 CB SER 1 18 4.902 -0.417 12.012 1.00 0.00 C ATOM 343 OG SER 1 18 3.640 -0.036 12.533 1.00 0.00 O ATOM 0 H SER 1 18 4.965 1.894 13.128 1.00 0.00 H new ATOM 0 HA SER 1 18 6.681 0.489 11.209 1.00 0.00 H new ATOM 0 HB2 SER 1 18 4.764 -1.142 11.210 1.00 0.00 H new ATOM 0 HB3 SER 1 18 5.486 -0.910 12.790 1.00 0.00 H new ATOM 0 HG SER 1 18 3.216 0.606 11.926 1.00 0.00 H new ATOM 349 N ASN 1 19 5.809 1.539 9.165 1.00 0.00 N ATOM 350 CA ASN 1 19 5.326 2.055 7.880 1.00 0.00 C ATOM 351 C ASN 1 19 5.945 1.286 6.709 1.00 0.00 C ATOM 352 O ASN 1 19 5.230 0.852 5.801 1.00 0.00 O ATOM 353 CB ASN 1 19 5.633 3.556 7.744 1.00 0.00 C ATOM 354 CG ASN 1 19 4.637 4.440 8.426 1.00 0.00 C ATOM 355 OD1 ASN 1 19 4.067 4.110 9.469 1.00 0.00 O ATOM 356 ND2 ASN 1 19 4.426 5.584 7.818 1.00 0.00 N ATOM 0 H ASN 1 19 6.809 1.340 9.182 1.00 0.00 H new ATOM 0 HA ASN 1 19 4.246 1.914 7.853 1.00 0.00 H new ATOM 0 HB2 ASN 1 19 6.623 3.754 8.156 1.00 0.00 H new ATOM 0 HB3 ASN 1 19 5.671 3.815 6.686 1.00 0.00 H new ATOM 0 HD21 ASN 1 19 3.761 6.253 8.207 1.00 0.00 H new ATOM 0 HD22 ASN 1 19 4.927 5.804 6.957 1.00 0.00 H new ATOM 363 N ALA 1 20 7.277 1.113 6.749 1.00 0.00 N ATOM 364 CA ALA 1 20 8.018 0.408 5.696 1.00 0.00 C ATOM 365 C ALA 1 20 7.956 -1.111 5.870 1.00 0.00 C ATOM 366 O ALA 1 20 7.943 -1.613 6.998 1.00 0.00 O ATOM 367 CB ALA 1 20 9.465 0.877 5.675 1.00 0.00 C ATOM 0 H ALA 1 20 7.865 1.457 7.508 1.00 0.00 H new ATOM 0 HA ALA 1 20 7.545 0.646 4.743 1.00 0.00 H new ATOM 0 HB1 ALA 1 20 10.007 0.349 4.891 1.00 0.00 H new ATOM 0 HB2 ALA 1 20 9.497 1.949 5.480 1.00 0.00 H new ATOM 0 HB3 ALA 1 20 9.929 0.670 6.639 1.00 0.00 H new ATOM 373 N GLY 1 21 7.915 -1.825 4.739 1.00 0.00 N ATOM 374 CA GLY 1 21 7.852 -3.284 4.756 1.00 0.00 C ATOM 375 C GLY 1 21 6.676 -3.838 3.966 1.00 0.00 C ATOM 376 O GLY 1 21 6.551 -5.057 3.811 1.00 0.00 O ATOM 0 H GLY 1 21 7.924 -1.414 3.805 1.00 0.00 H new ATOM 0 HA2 GLY 1 21 8.779 -3.687 4.348 1.00 0.00 H new ATOM 0 HA3 GLY 1 21 7.783 -3.627 5.788 1.00 0.00 H new ATOM 380 N LYS 1 22 5.814 -2.938 3.474 1.00 0.00 N ATOM 381 CA LYS 1 22 4.640 -3.310 2.692 1.00 0.00 C ATOM 382 C LYS 1 22 4.951 -3.437 1.211 1.00 0.00 C ATOM 383 O LYS 1 22 5.895 -2.824 0.703 1.00 0.00 O ATOM 384 CB LYS 1 22 3.546 -2.266 2.876 1.00 0.00 C ATOM 385 CG LYS 1 22 2.662 -2.534 4.071 1.00 0.00 C ATOM 386 CD LYS 1 22 2.164 -1.239 4.685 1.00 0.00 C ATOM 387 CE LYS 1 22 1.378 -1.487 5.964 1.00 0.00 C ATOM 388 NZ LYS 1 22 2.276 -1.687 7.135 1.00 0.00 N ATOM 0 H LYS 1 22 5.916 -1.932 3.610 1.00 0.00 H new ATOM 0 HA LYS 1 22 4.309 -4.283 3.054 1.00 0.00 H new ATOM 0 HB2 LYS 1 22 4.005 -1.283 2.985 1.00 0.00 H new ATOM 0 HB3 LYS 1 22 2.930 -2.232 1.977 1.00 0.00 H new ATOM 0 HG2 LYS 1 22 1.813 -3.147 3.769 1.00 0.00 H new ATOM 0 HG3 LYS 1 22 3.216 -3.104 4.817 1.00 0.00 H new ATOM 0 HD2 LYS 1 22 3.012 -0.589 4.900 1.00 0.00 H new ATOM 0 HD3 LYS 1 22 1.534 -0.715 3.967 1.00 0.00 H new ATOM 0 HE2 LYS 1 22 0.716 -0.642 6.154 1.00 0.00 H new ATOM 0 HE3 LYS 1 22 0.745 -2.365 5.837 1.00 0.00 H new ATOM 0 HZ1 LYS 1 22 1.716 -2.003 7.952 1.00 0.00 H new ATOM 0 HZ2 LYS 1 22 2.990 -2.408 6.906 1.00 0.00 H new ATOM 0 HZ3 LYS 1 22 2.750 -0.791 7.366 1.00 0.00 H new ATOM 402 N MET 1 23 4.137 -4.247 0.539 1.00 0.00 N ATOM 403 CA MET 1 23 4.247 -4.473 -0.875 1.00 0.00 C ATOM 404 C MET 1 23 2.924 -4.137 -1.556 1.00 0.00 C ATOM 405 O MET 1 23 1.861 -4.607 -1.156 1.00 0.00 O ATOM 406 CB MET 1 23 4.641 -5.918 -1.139 1.00 0.00 C ATOM 407 CG MET 1 23 6.138 -6.113 -1.343 1.00 0.00 C ATOM 408 SD MET 1 23 6.529 -7.622 -2.246 1.00 0.00 S ATOM 409 CE MET 1 23 6.760 -6.963 -3.896 1.00 0.00 C ATOM 0 H MET 1 23 3.377 -4.765 0.979 1.00 0.00 H new ATOM 0 HA MET 1 23 5.021 -3.826 -1.287 1.00 0.00 H new ATOM 0 HB2 MET 1 23 4.313 -6.534 -0.302 1.00 0.00 H new ATOM 0 HB3 MET 1 23 4.113 -6.274 -2.023 1.00 0.00 H new ATOM 0 HG2 MET 1 23 6.541 -5.257 -1.884 1.00 0.00 H new ATOM 0 HG3 MET 1 23 6.632 -6.138 -0.372 1.00 0.00 H new ATOM 0 HE1 MET 1 23 6.691 -7.772 -4.624 1.00 0.00 H new ATOM 0 HE2 MET 1 23 5.988 -6.221 -4.103 1.00 0.00 H new ATOM 0 HE3 MET 1 23 7.742 -6.495 -3.967 1.00 0.00 H new ATOM 419 N PHE 1 24 3.046 -3.359 -2.618 1.00 0.00 N ATOM 420 CA PHE 1 24 1.942 -2.862 -3.423 1.00 0.00 C ATOM 421 C PHE 1 24 1.706 -3.822 -4.594 1.00 0.00 C ATOM 422 O PHE 1 24 2.516 -3.911 -5.524 1.00 0.00 O ATOM 423 CB PHE 1 24 2.304 -1.438 -3.920 1.00 0.00 C ATOM 424 CG PHE 1 24 1.286 -0.719 -4.797 1.00 0.00 C ATOM 425 CD1 PHE 1 24 1.720 0.241 -5.698 1.00 0.00 C ATOM 426 CD2 PHE 1 24 -0.079 -0.980 -4.719 1.00 0.00 C ATOM 427 CE1 PHE 1 24 0.826 0.923 -6.499 1.00 0.00 C ATOM 428 CE2 PHE 1 24 -0.973 -0.300 -5.522 1.00 0.00 C ATOM 429 CZ PHE 1 24 -0.522 0.652 -6.411 1.00 0.00 C ATOM 0 H PHE 1 24 3.955 -3.043 -2.957 1.00 0.00 H new ATOM 0 HA PHE 1 24 1.022 -2.807 -2.841 1.00 0.00 H new ATOM 0 HB2 PHE 1 24 2.495 -0.815 -3.046 1.00 0.00 H new ATOM 0 HB3 PHE 1 24 3.240 -1.503 -4.475 1.00 0.00 H new ATOM 0 HD1 PHE 1 24 2.775 0.459 -5.775 1.00 0.00 H new ATOM 0 HD2 PHE 1 24 -0.442 -1.722 -4.023 1.00 0.00 H new ATOM 0 HE1 PHE 1 24 1.183 1.668 -7.194 1.00 0.00 H new ATOM 0 HE2 PHE 1 24 -2.029 -0.515 -5.453 1.00 0.00 H new ATOM 0 HZ PHE 1 24 -1.223 1.184 -7.037 1.00 0.00 H new ATOM 439 N ILE 1 25 0.607 -4.552 -4.505 1.00 0.00 N ATOM 440 CA ILE 1 25 0.217 -5.531 -5.500 1.00 0.00 C ATOM 441 C ILE 1 25 -0.775 -4.920 -6.482 1.00 0.00 C ATOM 442 O ILE 1 25 -1.881 -4.527 -6.105 1.00 0.00 O ATOM 443 CB ILE 1 25 -0.406 -6.772 -4.836 1.00 0.00 C ATOM 444 CG1 ILE 1 25 0.137 -6.988 -3.394 1.00 0.00 C ATOM 445 CG2 ILE 1 25 -0.226 -8.018 -5.714 1.00 0.00 C ATOM 446 CD1 ILE 1 25 1.601 -7.412 -3.271 1.00 0.00 C ATOM 0 H ILE 1 25 -0.048 -4.478 -3.727 1.00 0.00 H new ATOM 0 HA ILE 1 25 1.113 -5.839 -6.039 1.00 0.00 H new ATOM 0 HB ILE 1 25 -1.477 -6.594 -4.742 1.00 0.00 H new ATOM 0 HG12 ILE 1 25 0.003 -6.061 -2.837 1.00 0.00 H new ATOM 0 HG13 ILE 1 25 -0.479 -7.744 -2.908 1.00 0.00 H new ATOM 0 HG21 ILE 1 25 -0.676 -8.879 -5.220 1.00 0.00 H new ATOM 0 HG22 ILE 1 25 -0.711 -7.858 -6.677 1.00 0.00 H new ATOM 0 HG23 ILE 1 25 0.837 -8.203 -5.870 1.00 0.00 H new ATOM 0 HD11 ILE 1 25 1.858 -7.530 -2.218 1.00 0.00 H new ATOM 0 HD12 ILE 1 25 1.750 -8.359 -3.789 1.00 0.00 H new ATOM 0 HD13 ILE 1 25 2.239 -6.650 -3.717 1.00 0.00 H new ATOM 458 N GLY 1 26 -0.348 -4.841 -7.731 1.00 0.00 N ATOM 459 CA GLY 1 26 -1.164 -4.267 -8.777 1.00 0.00 C ATOM 460 C GLY 1 26 -1.717 -5.257 -9.771 1.00 0.00 C ATOM 461 O GLY 1 26 -1.231 -6.375 -9.887 1.00 0.00 O ATOM 0 H GLY 1 26 0.566 -5.171 -8.042 1.00 0.00 H new ATOM 0 HA2 GLY 1 26 -1.996 -3.734 -8.317 1.00 0.00 H new ATOM 0 HA3 GLY 1 26 -0.571 -3.528 -9.315 1.00 0.00 H new ATOM 465 N GLY 1 27 -2.793 -4.830 -10.440 1.00 0.00 N ATOM 466 CA GLY 1 27 -3.441 -5.622 -11.487 1.00 0.00 C ATOM 467 C GLY 1 27 -4.183 -6.865 -11.006 1.00 0.00 C ATOM 468 O GLY 1 27 -4.390 -7.789 -11.798 1.00 0.00 O ATOM 0 H GLY 1 27 -3.237 -3.928 -10.270 1.00 0.00 H new ATOM 0 HA2 GLY 1 27 -4.146 -4.982 -12.018 1.00 0.00 H new ATOM 0 HA3 GLY 1 27 -2.683 -5.929 -12.208 1.00 0.00 H new ATOM 472 N LEU 1 28 -4.605 -6.887 -9.725 1.00 0.00 N ATOM 473 CA LEU 1 28 -5.334 -8.023 -9.140 1.00 0.00 C ATOM 474 C LEU 1 28 -6.603 -8.341 -9.955 1.00 0.00 C ATOM 475 O LEU 1 28 -7.008 -7.546 -10.810 1.00 0.00 O ATOM 476 CB LEU 1 28 -5.718 -7.714 -7.677 1.00 0.00 C ATOM 477 CG LEU 1 28 -4.565 -7.318 -6.738 1.00 0.00 C ATOM 478 CD1 LEU 1 28 -5.107 -6.619 -5.505 1.00 0.00 C ATOM 479 CD2 LEU 1 28 -3.756 -8.538 -6.319 1.00 0.00 C ATOM 0 H LEU 1 28 -4.449 -6.119 -9.072 1.00 0.00 H new ATOM 0 HA LEU 1 28 -4.679 -8.894 -9.164 1.00 0.00 H new ATOM 0 HB2 LEU 1 28 -6.450 -6.907 -7.679 1.00 0.00 H new ATOM 0 HB3 LEU 1 28 -6.212 -8.592 -7.260 1.00 0.00 H new ATOM 0 HG LEU 1 28 -3.910 -6.637 -7.282 1.00 0.00 H new ATOM 0 HD11 LEU 1 28 -4.280 -6.344 -4.850 1.00 0.00 H new ATOM 0 HD12 LEU 1 28 -5.647 -5.721 -5.804 1.00 0.00 H new ATOM 0 HD13 LEU 1 28 -5.783 -7.289 -4.975 1.00 0.00 H new ATOM 0 HD21 LEU 1 28 -2.948 -8.229 -5.656 1.00 0.00 H new ATOM 0 HD22 LEU 1 28 -4.404 -9.243 -5.797 1.00 0.00 H new ATOM 0 HD23 LEU 1 28 -3.336 -9.017 -7.203 1.00 0.00 H new ATOM 491 N SER 1 29 -7.243 -9.476 -9.665 1.00 0.00 N ATOM 492 CA SER 1 29 -8.423 -9.898 -10.375 1.00 0.00 C ATOM 493 C SER 1 29 -9.675 -9.556 -9.575 1.00 0.00 C ATOM 494 O SER 1 29 -9.608 -9.114 -8.424 1.00 0.00 O ATOM 495 CB SER 1 29 -8.343 -11.405 -10.655 1.00 0.00 C ATOM 496 OG SER 1 29 -9.194 -11.769 -11.726 1.00 0.00 O ATOM 0 H SER 1 29 -6.948 -10.118 -8.930 1.00 0.00 H new ATOM 0 HA SER 1 29 -8.480 -9.369 -11.326 1.00 0.00 H new ATOM 0 HB2 SER 1 29 -7.315 -11.680 -10.893 1.00 0.00 H new ATOM 0 HB3 SER 1 29 -8.622 -11.960 -9.759 1.00 0.00 H new ATOM 0 HG SER 1 29 -9.152 -11.083 -12.425 1.00 0.00 H new ATOM 502 N TRP 1 30 -10.806 -9.804 -10.206 1.00 0.00 N ATOM 503 CA TRP 1 30 -12.131 -9.555 -9.660 1.00 0.00 C ATOM 504 C TRP 1 30 -12.479 -10.565 -8.553 1.00 0.00 C ATOM 505 O TRP 1 30 -13.392 -10.346 -7.753 1.00 0.00 O ATOM 506 CB TRP 1 30 -13.152 -9.651 -10.814 1.00 0.00 C ATOM 507 CG TRP 1 30 -13.242 -11.015 -11.478 1.00 0.00 C ATOM 508 CD1 TRP 1 30 -12.198 -11.796 -11.892 1.00 0.00 C ATOM 509 CD2 TRP 1 30 -14.435 -11.750 -11.805 1.00 0.00 C ATOM 510 NE1 TRP 1 30 -12.658 -12.963 -12.422 1.00 0.00 N ATOM 511 CE2 TRP 1 30 -14.021 -12.961 -12.391 1.00 0.00 C ATOM 512 CE3 TRP 1 30 -15.808 -11.514 -11.656 1.00 0.00 C ATOM 513 CZ2 TRP 1 30 -14.916 -13.925 -12.827 1.00 0.00 C ATOM 514 CZ3 TRP 1 30 -16.700 -12.476 -12.094 1.00 0.00 C ATOM 515 CH2 TRP 1 30 -16.250 -13.670 -12.673 1.00 0.00 C ATOM 0 H TRP 1 30 -10.831 -10.198 -11.146 1.00 0.00 H new ATOM 0 HA TRP 1 30 -12.157 -8.562 -9.210 1.00 0.00 H new ATOM 0 HB2 TRP 1 30 -14.137 -9.384 -10.431 1.00 0.00 H new ATOM 0 HB3 TRP 1 30 -12.893 -8.911 -11.571 1.00 0.00 H new ATOM 0 HD1 TRP 1 30 -11.156 -11.525 -11.810 1.00 0.00 H new ATOM 0 HE1 TRP 1 30 -12.076 -13.718 -12.784 1.00 0.00 H new ATOM 0 HE3 TRP 1 30 -16.163 -10.598 -11.207 1.00 0.00 H new ATOM 0 HZ2 TRP 1 30 -14.571 -14.846 -13.273 1.00 0.00 H new ATOM 0 HZ3 TRP 1 30 -17.761 -12.304 -11.988 1.00 0.00 H new ATOM 0 HH2 TRP 1 30 -16.971 -14.403 -13.004 1.00 0.00 H new ATOM 526 N GLN 1 31 -11.717 -11.661 -8.538 1.00 0.00 N ATOM 527 CA GLN 1 31 -11.896 -12.750 -7.586 1.00 0.00 C ATOM 528 C GLN 1 31 -10.937 -12.643 -6.407 1.00 0.00 C ATOM 529 O GLN 1 31 -11.223 -13.148 -5.317 1.00 0.00 O ATOM 530 CB GLN 1 31 -11.643 -14.070 -8.305 1.00 0.00 C ATOM 531 CG GLN 1 31 -12.704 -14.439 -9.330 1.00 0.00 C ATOM 532 CD GLN 1 31 -12.471 -15.811 -9.924 1.00 0.00 C ATOM 533 OE1 GLN 1 31 -11.833 -15.952 -10.968 1.00 0.00 O ATOM 534 NE2 GLN 1 31 -12.977 -16.832 -9.249 1.00 0.00 N ATOM 0 H GLN 1 31 -10.952 -11.815 -9.195 1.00 0.00 H new ATOM 0 HA GLN 1 31 -12.913 -12.696 -7.197 1.00 0.00 H new ATOM 0 HB2 GLN 1 31 -10.675 -14.019 -8.804 1.00 0.00 H new ATOM 0 HB3 GLN 1 31 -11.578 -14.867 -7.564 1.00 0.00 H new ATOM 0 HG2 GLN 1 31 -13.687 -14.411 -8.860 1.00 0.00 H new ATOM 0 HG3 GLN 1 31 -12.711 -13.696 -10.127 1.00 0.00 H new ATOM 0 HE21 GLN 1 31 -13.499 -16.666 -8.388 1.00 0.00 H new ATOM 0 HE22 GLN 1 31 -12.845 -17.784 -9.590 1.00 0.00 H new ATOM 543 N THR 1 32 -9.808 -11.968 -6.636 1.00 0.00 N ATOM 544 CA THR 1 32 -8.764 -11.789 -5.625 1.00 0.00 C ATOM 545 C THR 1 32 -9.229 -10.938 -4.422 1.00 0.00 C ATOM 546 O THR 1 32 -9.521 -9.746 -4.558 1.00 0.00 O ATOM 547 CB THR 1 32 -7.517 -11.162 -6.262 1.00 0.00 C ATOM 548 OG1 THR 1 32 -7.392 -11.579 -7.628 1.00 0.00 O ATOM 549 CG2 THR 1 32 -6.245 -11.536 -5.505 1.00 0.00 C ATOM 0 H THR 1 32 -9.592 -11.529 -7.531 1.00 0.00 H new ATOM 0 HA THR 1 32 -8.526 -12.780 -5.238 1.00 0.00 H new ATOM 0 HB THR 1 32 -7.640 -10.080 -6.214 1.00 0.00 H new ATOM 0 HG1 THR 1 32 -7.312 -12.555 -7.666 1.00 0.00 H new ATOM 0 HG21 THR 1 32 -5.385 -11.072 -5.988 1.00 0.00 H new ATOM 0 HG22 THR 1 32 -6.317 -11.184 -4.476 1.00 0.00 H new ATOM 0 HG23 THR 1 32 -6.124 -12.619 -5.510 1.00 0.00 H new ATOM 557 N SER 1 33 -9.290 -11.597 -3.257 1.00 0.00 N ATOM 558 CA SER 1 33 -9.689 -10.981 -1.983 1.00 0.00 C ATOM 559 C SER 1 33 -8.452 -10.769 -1.098 1.00 0.00 C ATOM 560 O SER 1 33 -7.439 -11.439 -1.319 1.00 0.00 O ATOM 561 CB SER 1 33 -10.693 -11.897 -1.272 1.00 0.00 C ATOM 562 OG SER 1 33 -11.454 -11.194 -0.306 1.00 0.00 O ATOM 0 H SER 1 33 -9.060 -12.587 -3.171 1.00 0.00 H new ATOM 0 HA SER 1 33 -10.154 -10.014 -2.174 1.00 0.00 H new ATOM 0 HB2 SER 1 33 -11.362 -12.343 -2.008 1.00 0.00 H new ATOM 0 HB3 SER 1 33 -10.159 -12.716 -0.789 1.00 0.00 H new ATOM 0 HG SER 1 33 -12.084 -11.809 0.125 1.00 0.00 H new ATOM 568 N PRO 1 34 -8.481 -9.837 -0.084 1.00 0.00 N ATOM 569 CA PRO 1 34 -7.328 -9.617 0.821 1.00 0.00 C ATOM 570 C PRO 1 34 -6.890 -10.897 1.533 1.00 0.00 C ATOM 571 O PRO 1 34 -5.727 -11.046 1.917 1.00 0.00 O ATOM 572 CB PRO 1 34 -7.833 -8.569 1.830 1.00 0.00 C ATOM 573 CG PRO 1 34 -9.318 -8.558 1.680 1.00 0.00 C ATOM 574 CD PRO 1 34 -9.591 -8.916 0.248 1.00 0.00 C ATOM 0 HA PRO 1 34 -6.446 -9.288 0.272 1.00 0.00 H new ATOM 0 HB2 PRO 1 34 -7.543 -8.831 2.847 1.00 0.00 H new ATOM 0 HB3 PRO 1 34 -7.410 -7.587 1.621 1.00 0.00 H new ATOM 0 HG2 PRO 1 34 -9.784 -9.274 2.357 1.00 0.00 H new ATOM 0 HG3 PRO 1 34 -9.728 -7.577 1.922 1.00 0.00 H new ATOM 0 HD2 PRO 1 34 -10.562 -9.396 0.130 1.00 0.00 H new ATOM 0 HD3 PRO 1 34 -9.591 -8.036 -0.395 1.00 0.00 H new ATOM 582 N ASP 1 35 -7.848 -11.814 1.682 1.00 0.00 N ATOM 583 CA ASP 1 35 -7.614 -13.121 2.294 1.00 0.00 C ATOM 584 C ASP 1 35 -6.982 -14.062 1.282 1.00 0.00 C ATOM 585 O ASP 1 35 -6.173 -14.924 1.628 1.00 0.00 O ATOM 586 CB ASP 1 35 -8.913 -13.702 2.791 1.00 0.00 C ATOM 587 CG ASP 1 35 -9.157 -13.432 4.263 1.00 0.00 C ATOM 588 OD1 ASP 1 35 -9.717 -12.363 4.585 1.00 0.00 O ATOM 589 OD2 ASP 1 35 -8.789 -14.289 5.093 1.00 0.00 O ATOM 0 H ASP 1 35 -8.811 -11.669 1.380 1.00 0.00 H new ATOM 0 HA ASP 1 35 -6.936 -12.997 3.139 1.00 0.00 H new ATOM 0 HB2 ASP 1 35 -9.736 -13.287 2.210 1.00 0.00 H new ATOM 0 HB3 ASP 1 35 -8.912 -14.778 2.620 1.00 0.00 H new ATOM 594 N SER 1 36 -7.389 -13.870 0.021 1.00 0.00 N ATOM 595 CA SER 1 36 -6.887 -14.640 -1.116 1.00 0.00 C ATOM 596 C SER 1 36 -5.443 -14.241 -1.404 1.00 0.00 C ATOM 597 O SER 1 36 -4.623 -15.077 -1.789 1.00 0.00 O ATOM 598 CB SER 1 36 -7.763 -14.406 -2.351 1.00 0.00 C ATOM 599 OG SER 1 36 -7.399 -15.272 -3.414 1.00 0.00 O ATOM 0 H SER 1 36 -8.083 -13.168 -0.237 1.00 0.00 H new ATOM 0 HA SER 1 36 -6.922 -15.702 -0.871 1.00 0.00 H new ATOM 0 HB2 SER 1 36 -8.810 -14.565 -2.092 1.00 0.00 H new ATOM 0 HB3 SER 1 36 -7.669 -13.370 -2.675 1.00 0.00 H new ATOM 0 HG SER 1 36 -7.976 -15.101 -4.188 1.00 0.00 H new ATOM 605 N LEU 1 37 -5.151 -12.940 -1.205 1.00 0.00 N ATOM 606 CA LEU 1 37 -3.846 -12.381 -1.388 1.00 0.00 C ATOM 607 C LEU 1 37 -2.918 -12.825 -0.261 1.00 0.00 C ATOM 608 O LEU 1 37 -1.745 -13.128 -0.484 1.00 0.00 O ATOM 609 CB LEU 1 37 -4.028 -10.876 -1.382 1.00 0.00 C ATOM 610 CG LEU 1 37 -3.789 -10.161 -2.706 1.00 0.00 C ATOM 611 CD1 LEU 1 37 -4.307 -8.742 -2.628 1.00 0.00 C ATOM 612 CD2 LEU 1 37 -2.322 -10.149 -3.091 1.00 0.00 C ATOM 0 H LEU 1 37 -5.847 -12.256 -0.907 1.00 0.00 H new ATOM 0 HA LEU 1 37 -3.392 -12.715 -2.321 1.00 0.00 H new ATOM 0 HB2 LEU 1 37 -5.043 -10.656 -1.053 1.00 0.00 H new ATOM 0 HB3 LEU 1 37 -3.353 -10.453 -0.638 1.00 0.00 H new ATOM 0 HG LEU 1 37 -4.329 -10.712 -3.476 1.00 0.00 H new ATOM 0 HD11 LEU 1 37 -4.132 -8.238 -3.579 1.00 0.00 H new ATOM 0 HD12 LEU 1 37 -5.376 -8.756 -2.416 1.00 0.00 H new ATOM 0 HD13 LEU 1 37 -3.787 -8.208 -1.833 1.00 0.00 H new ATOM 0 HD21 LEU 1 37 -2.199 -9.629 -4.041 1.00 0.00 H new ATOM 0 HD22 LEU 1 37 -1.748 -9.636 -2.320 1.00 0.00 H new ATOM 0 HD23 LEU 1 37 -1.963 -11.174 -3.189 1.00 0.00 H new ATOM 624 N ARG 1 38 -3.488 -12.870 0.954 1.00 0.00 N ATOM 625 CA ARG 1 38 -2.792 -13.304 2.149 1.00 0.00 C ATOM 626 C ARG 1 38 -2.522 -14.802 2.042 1.00 0.00 C ATOM 627 O ARG 1 38 -1.432 -15.263 2.365 1.00 0.00 O ATOM 628 CB ARG 1 38 -3.634 -12.989 3.393 1.00 0.00 C ATOM 629 CG ARG 1 38 -2.818 -12.804 4.667 1.00 0.00 C ATOM 630 CD ARG 1 38 -3.701 -12.427 5.849 1.00 0.00 C ATOM 631 NE ARG 1 38 -4.181 -11.041 5.762 1.00 0.00 N ATOM 632 CZ ARG 1 38 -4.995 -10.458 6.653 1.00 0.00 C ATOM 633 NH1 ARG 1 38 -5.440 -11.122 7.718 1.00 0.00 N ATOM 634 NH2 ARG 1 38 -5.365 -9.198 6.473 1.00 0.00 N ATOM 0 H ARG 1 38 -4.457 -12.600 1.123 1.00 0.00 H new ATOM 0 HA ARG 1 38 -1.844 -12.773 2.243 1.00 0.00 H new ATOM 0 HB2 ARG 1 38 -4.210 -12.082 3.208 1.00 0.00 H new ATOM 0 HB3 ARG 1 38 -4.350 -13.796 3.547 1.00 0.00 H new ATOM 0 HG2 ARG 1 38 -2.281 -13.725 4.893 1.00 0.00 H new ATOM 0 HG3 ARG 1 38 -2.068 -12.028 4.510 1.00 0.00 H new ATOM 0 HD2 ARG 1 38 -4.555 -13.103 5.893 1.00 0.00 H new ATOM 0 HD3 ARG 1 38 -3.142 -12.559 6.775 1.00 0.00 H new ATOM 0 HE ARG 1 38 -3.873 -10.482 4.966 1.00 0.00 H new ATOM 0 HH11 ARG 1 38 -5.162 -12.092 7.867 1.00 0.00 H new ATOM 0 HH12 ARG 1 38 -6.059 -10.661 8.385 1.00 0.00 H new ATOM 0 HH21 ARG 1 38 -5.030 -8.679 5.661 1.00 0.00 H new ATOM 0 HH22 ARG 1 38 -5.984 -8.747 7.147 1.00 0.00 H new ATOM 648 N ASP 1 39 -3.537 -15.545 1.553 1.00 0.00 N ATOM 649 CA ASP 1 39 -3.428 -16.988 1.347 1.00 0.00 C ATOM 650 C ASP 1 39 -2.439 -17.329 0.222 1.00 0.00 C ATOM 651 O ASP 1 39 -1.650 -18.268 0.358 1.00 0.00 O ATOM 652 CB ASP 1 39 -4.799 -17.590 1.031 1.00 0.00 C ATOM 653 CG ASP 1 39 -5.468 -18.177 2.257 1.00 0.00 C ATOM 654 OD1 ASP 1 39 -6.160 -17.424 2.974 1.00 0.00 O ATOM 655 OD2 ASP 1 39 -5.299 -19.390 2.501 1.00 0.00 O ATOM 0 H ASP 1 39 -4.444 -15.157 1.295 1.00 0.00 H new ATOM 0 HA ASP 1 39 -3.049 -17.420 2.273 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 -5.441 -16.820 0.604 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 -4.686 -18.367 0.275 1.00 0.00 H new ATOM 660 N TYR 1 40 -2.458 -16.535 -0.872 1.00 0.00 N ATOM 661 CA TYR 1 40 -1.580 -16.762 -2.020 1.00 0.00 C ATOM 662 C TYR 1 40 -0.122 -16.399 -1.699 1.00 0.00 C ATOM 663 O TYR 1 40 0.787 -17.198 -1.922 1.00 0.00 O ATOM 664 CB TYR 1 40 -2.075 -15.965 -3.237 1.00 0.00 C ATOM 665 CG TYR 1 40 -1.704 -16.598 -4.561 1.00 0.00 C ATOM 666 CD1 TYR 1 40 -2.441 -17.656 -5.077 1.00 0.00 C ATOM 667 CD2 TYR 1 40 -0.608 -16.149 -5.283 1.00 0.00 C ATOM 668 CE1 TYR 1 40 -2.095 -18.249 -6.276 1.00 0.00 C ATOM 669 CE2 TYR 1 40 -0.256 -16.733 -6.485 1.00 0.00 C ATOM 670 CZ TYR 1 40 -1.002 -17.783 -6.977 1.00 0.00 C ATOM 671 OH TYR 1 40 -0.653 -18.370 -8.171 1.00 0.00 O ATOM 0 H TYR 1 40 -3.077 -15.731 -0.975 1.00 0.00 H new ATOM 0 HA TYR 1 40 -1.611 -17.826 -2.256 1.00 0.00 H new ATOM 0 HB2 TYR 1 40 -3.159 -15.866 -3.181 1.00 0.00 H new ATOM 0 HB3 TYR 1 40 -1.661 -14.958 -3.195 1.00 0.00 H new ATOM 0 HD1 TYR 1 40 -3.299 -18.021 -4.532 1.00 0.00 H new ATOM 0 HD2 TYR 1 40 -0.020 -15.329 -4.899 1.00 0.00 H new ATOM 0 HE1 TYR 1 40 -2.677 -19.073 -6.662 1.00 0.00 H new ATOM 0 HE2 TYR 1 40 0.599 -16.369 -7.036 1.00 0.00 H new ATOM 0 HH TYR 1 40 -0.515 -17.676 -8.849 1.00 0.00 H new ATOM 681 N PHE 1 41 0.075 -15.191 -1.153 1.00 0.00 N ATOM 682 CA PHE 1 41 1.389 -14.671 -0.805 1.00 0.00 C ATOM 683 C PHE 1 41 2.019 -15.370 0.409 1.00 0.00 C ATOM 684 O PHE 1 41 3.246 -15.391 0.542 1.00 0.00 O ATOM 685 CB PHE 1 41 1.281 -13.171 -0.627 1.00 0.00 C ATOM 686 CG PHE 1 41 1.371 -12.434 -1.940 1.00 0.00 C ATOM 687 CD1 PHE 1 41 0.293 -12.424 -2.815 1.00 0.00 C ATOM 688 CD2 PHE 1 41 2.538 -11.788 -2.320 1.00 0.00 C ATOM 689 CE1 PHE 1 41 0.382 -11.785 -4.039 1.00 0.00 C ATOM 690 CE2 PHE 1 41 2.627 -11.142 -3.539 1.00 0.00 C ATOM 691 CZ PHE 1 41 1.549 -11.143 -4.400 1.00 0.00 C ATOM 0 H PHE 1 41 -0.687 -14.547 -0.941 1.00 0.00 H new ATOM 0 HA PHE 1 41 2.078 -14.888 -1.621 1.00 0.00 H new ATOM 0 HB2 PHE 1 41 0.335 -12.932 -0.142 1.00 0.00 H new ATOM 0 HB3 PHE 1 41 2.075 -12.827 0.036 1.00 0.00 H new ATOM 0 HD1 PHE 1 41 -0.625 -12.920 -2.537 1.00 0.00 H new ATOM 0 HD2 PHE 1 41 3.389 -11.790 -1.655 1.00 0.00 H new ATOM 0 HE1 PHE 1 41 -0.462 -11.789 -4.712 1.00 0.00 H new ATOM 0 HE2 PHE 1 41 3.540 -10.637 -3.817 1.00 0.00 H new ATOM 0 HZ PHE 1 41 1.618 -10.642 -5.354 1.00 0.00 H new ATOM 701 N SER 1 42 1.169 -15.940 1.302 1.00 0.00 N ATOM 702 CA SER 1 42 1.639 -16.662 2.512 1.00 0.00 C ATOM 703 C SER 1 42 2.447 -17.876 2.097 1.00 0.00 C ATOM 704 O SER 1 42 3.165 -18.495 2.887 1.00 0.00 O ATOM 705 CB SER 1 42 0.463 -17.107 3.386 1.00 0.00 C ATOM 706 OG SER 1 42 0.907 -17.560 4.656 1.00 0.00 O ATOM 0 H SER 1 42 0.154 -15.913 1.206 1.00 0.00 H new ATOM 0 HA SER 1 42 2.260 -15.981 3.094 1.00 0.00 H new ATOM 0 HB2 SER 1 42 -0.231 -16.277 3.516 1.00 0.00 H new ATOM 0 HB3 SER 1 42 -0.085 -17.905 2.884 1.00 0.00 H new ATOM 0 HG SER 1 42 0.135 -17.836 5.193 1.00 0.00 H new ATOM 712 N LYS 1 43 2.292 -18.164 0.821 1.00 0.00 N ATOM 713 CA LYS 1 43 2.931 -19.278 0.150 1.00 0.00 C ATOM 714 C LYS 1 43 4.368 -18.938 -0.279 1.00 0.00 C ATOM 715 O LYS 1 43 5.144 -19.829 -0.637 1.00 0.00 O ATOM 716 CB LYS 1 43 2.084 -19.671 -1.055 1.00 0.00 C ATOM 717 CG LYS 1 43 0.902 -20.573 -0.714 1.00 0.00 C ATOM 718 CD LYS 1 43 0.981 -21.901 -1.450 1.00 0.00 C ATOM 719 CE LYS 1 43 -0.185 -22.808 -1.089 1.00 0.00 C ATOM 720 NZ LYS 1 43 -0.142 -24.095 -1.837 1.00 0.00 N ATOM 0 H LYS 1 43 1.699 -17.611 0.202 1.00 0.00 H new ATOM 0 HA LYS 1 43 3.002 -20.116 0.844 1.00 0.00 H new ATOM 0 HB2 LYS 1 43 1.711 -18.766 -1.535 1.00 0.00 H new ATOM 0 HB3 LYS 1 43 2.718 -20.179 -1.782 1.00 0.00 H new ATOM 0 HG2 LYS 1 43 0.879 -20.753 0.361 1.00 0.00 H new ATOM 0 HG3 LYS 1 43 -0.029 -20.068 -0.973 1.00 0.00 H new ATOM 0 HD2 LYS 1 43 0.985 -21.723 -2.525 1.00 0.00 H new ATOM 0 HD3 LYS 1 43 1.920 -22.398 -1.206 1.00 0.00 H new ATOM 0 HE2 LYS 1 43 -0.169 -23.010 -0.018 1.00 0.00 H new ATOM 0 HE3 LYS 1 43 -1.123 -22.295 -1.303 1.00 0.00 H new ATOM 0 HZ1 LYS 1 43 -0.954 -24.684 -1.562 1.00 0.00 H new ATOM 0 HZ2 LYS 1 43 -0.183 -23.904 -2.859 1.00 0.00 H new ATOM 0 HZ3 LYS 1 43 0.741 -24.597 -1.614 1.00 0.00 H new ATOM 734 N PHE 1 44 4.701 -17.640 -0.231 1.00 0.00 N ATOM 735 CA PHE 1 44 6.037 -17.140 -0.581 1.00 0.00 C ATOM 736 C PHE 1 44 6.821 -16.812 0.689 1.00 0.00 C ATOM 737 O PHE 1 44 8.048 -16.941 0.732 1.00 0.00 O ATOM 738 CB PHE 1 44 5.922 -15.887 -1.436 1.00 0.00 C ATOM 739 CG PHE 1 44 6.750 -15.920 -2.688 1.00 0.00 C ATOM 740 CD1 PHE 1 44 6.179 -16.286 -3.893 1.00 0.00 C ATOM 741 CD2 PHE 1 44 8.099 -15.590 -2.660 1.00 0.00 C ATOM 742 CE1 PHE 1 44 6.932 -16.326 -5.049 1.00 0.00 C ATOM 743 CE2 PHE 1 44 8.857 -15.628 -3.815 1.00 0.00 C ATOM 744 CZ PHE 1 44 8.271 -15.997 -5.011 1.00 0.00 C ATOM 0 H PHE 1 44 4.050 -16.907 0.052 1.00 0.00 H new ATOM 0 HA PHE 1 44 6.560 -17.913 -1.143 1.00 0.00 H new ATOM 0 HB2 PHE 1 44 4.877 -15.741 -1.708 1.00 0.00 H new ATOM 0 HB3 PHE 1 44 6.219 -15.025 -0.839 1.00 0.00 H new ATOM 0 HD1 PHE 1 44 5.131 -16.544 -3.930 1.00 0.00 H new ATOM 0 HD2 PHE 1 44 8.560 -15.301 -1.727 1.00 0.00 H new ATOM 0 HE1 PHE 1 44 6.473 -16.615 -5.983 1.00 0.00 H new ATOM 0 HE2 PHE 1 44 9.905 -15.370 -3.783 1.00 0.00 H new ATOM 0 HZ PHE 1 44 8.861 -16.028 -5.915 1.00 0.00 H new ATOM 754 N GLY 1 45 6.075 -16.394 1.715 1.00 0.00 N ATOM 755 CA GLY 1 45 6.615 -16.043 2.996 1.00 0.00 C ATOM 756 C GLY 1 45 5.495 -15.832 3.982 1.00 0.00 C ATOM 757 O GLY 1 45 4.361 -16.261 3.744 1.00 0.00 O ATOM 0 H GLY 1 45 5.061 -16.294 1.660 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 7.279 -16.832 3.349 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 7.214 -15.136 2.912 1.00 0.00 H new ATOM 761 N GLU 1 46 5.802 -15.161 5.073 1.00 0.00 N ATOM 762 CA GLU 1 46 4.840 -14.879 6.096 1.00 0.00 C ATOM 763 C GLU 1 46 4.373 -13.439 6.005 1.00 0.00 C ATOM 764 O GLU 1 46 5.168 -12.504 5.878 1.00 0.00 O ATOM 765 CB GLU 1 46 5.383 -15.176 7.488 1.00 0.00 C ATOM 766 CG GLU 1 46 4.278 -15.272 8.530 1.00 0.00 C ATOM 767 CD GLU 1 46 4.767 -15.793 9.867 1.00 0.00 C ATOM 768 OE1 GLU 1 46 5.069 -14.965 10.752 1.00 0.00 O ATOM 769 OE2 GLU 1 46 4.850 -17.029 10.029 1.00 0.00 O ATOM 0 H GLU 1 46 6.735 -14.797 5.268 1.00 0.00 H new ATOM 0 HA GLU 1 46 3.988 -15.539 5.931 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 5.941 -16.112 7.466 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 6.085 -14.393 7.777 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 3.833 -14.287 8.671 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 3.491 -15.927 8.157 1.00 0.00 H new ATOM 776 N ILE 1 47 3.072 -13.315 6.091 1.00 0.00 N ATOM 777 CA ILE 1 47 2.378 -12.029 6.024 1.00 0.00 C ATOM 778 C ILE 1 47 1.840 -11.610 7.387 1.00 0.00 C ATOM 779 O ILE 1 47 1.330 -12.429 8.158 1.00 0.00 O ATOM 780 CB ILE 1 47 1.243 -12.044 4.971 1.00 0.00 C ATOM 781 CG1 ILE 1 47 1.832 -12.349 3.609 1.00 0.00 C ATOM 782 CG2 ILE 1 47 0.470 -10.724 4.916 1.00 0.00 C ATOM 783 CD1 ILE 1 47 1.118 -13.451 2.843 1.00 0.00 C ATOM 0 H ILE 1 47 2.445 -14.110 6.212 1.00 0.00 H new ATOM 0 HA ILE 1 47 3.115 -11.289 5.711 1.00 0.00 H new ATOM 0 HB ILE 1 47 0.532 -12.817 5.265 1.00 0.00 H new ATOM 0 HG12 ILE 1 47 1.817 -11.439 3.009 1.00 0.00 H new ATOM 0 HG13 ILE 1 47 2.877 -12.631 3.735 1.00 0.00 H new ATOM 0 HG21 ILE 1 47 -0.313 -10.792 4.161 1.00 0.00 H new ATOM 0 HG22 ILE 1 47 0.020 -10.525 5.889 1.00 0.00 H new ATOM 0 HG23 ILE 1 47 1.152 -9.913 4.659 1.00 0.00 H new ATOM 0 HD11 ILE 1 47 1.607 -13.601 1.881 1.00 0.00 H new ATOM 0 HD12 ILE 1 47 1.155 -14.377 3.418 1.00 0.00 H new ATOM 0 HD13 ILE 1 47 0.078 -13.167 2.681 1.00 0.00 H new ATOM 795 N ARG 1 48 1.995 -10.319 7.656 1.00 0.00 N ATOM 796 CA ARG 1 48 1.532 -9.683 8.876 1.00 0.00 C ATOM 797 C ARG 1 48 0.082 -9.221 8.717 1.00 0.00 C ATOM 798 O ARG 1 48 -0.745 -9.402 9.614 1.00 0.00 O ATOM 799 CB ARG 1 48 2.419 -8.471 9.145 1.00 0.00 C ATOM 800 CG ARG 1 48 2.619 -8.152 10.613 1.00 0.00 C ATOM 801 CD ARG 1 48 3.690 -7.089 10.804 1.00 0.00 C ATOM 802 NE ARG 1 48 3.885 -6.742 12.216 1.00 0.00 N ATOM 803 CZ ARG 1 48 4.934 -6.055 12.694 1.00 0.00 C ATOM 804 NH1 ARG 1 48 5.904 -5.628 11.886 1.00 0.00 N ATOM 805 NH2 ARG 1 48 5.008 -5.791 13.991 1.00 0.00 N ATOM 0 H ARG 1 48 2.457 -9.674 7.015 1.00 0.00 H new ATOM 0 HA ARG 1 48 1.583 -10.391 9.703 1.00 0.00 H new ATOM 0 HB2 ARG 1 48 3.393 -8.641 8.687 1.00 0.00 H new ATOM 0 HB3 ARG 1 48 1.983 -7.601 8.653 1.00 0.00 H new ATOM 0 HG2 ARG 1 48 1.679 -7.807 11.044 1.00 0.00 H new ATOM 0 HG3 ARG 1 48 2.902 -9.058 11.149 1.00 0.00 H new ATOM 0 HD2 ARG 1 48 4.632 -7.446 10.387 1.00 0.00 H new ATOM 0 HD3 ARG 1 48 3.414 -6.194 10.247 1.00 0.00 H new ATOM 0 HE ARG 1 48 3.173 -7.044 12.881 1.00 0.00 H new ATOM 0 HH11 ARG 1 48 5.857 -5.822 10.886 1.00 0.00 H new ATOM 0 HH12 ARG 1 48 6.694 -5.107 12.268 1.00 0.00 H new ATOM 0 HH21 ARG 1 48 4.270 -6.110 14.619 1.00 0.00 H new ATOM 0 HH22 ARG 1 48 5.803 -5.269 14.361 1.00 0.00 H new ATOM 819 N GLU 1 49 -0.204 -8.643 7.538 1.00 0.00 N ATOM 820 CA GLU 1 49 -1.519 -8.105 7.202 1.00 0.00 C ATOM 821 C GLU 1 49 -1.615 -7.893 5.695 1.00 0.00 C ATOM 822 O GLU 1 49 -0.604 -7.774 5.011 1.00 0.00 O ATOM 823 CB GLU 1 49 -1.769 -6.765 7.930 1.00 0.00 C ATOM 824 CG GLU 1 49 -3.235 -6.489 8.255 1.00 0.00 C ATOM 825 CD GLU 1 49 -3.696 -7.170 9.531 1.00 0.00 C ATOM 826 OE1 GLU 1 49 -3.608 -6.539 10.605 1.00 0.00 O ATOM 827 OE2 GLU 1 49 -4.144 -8.333 9.455 1.00 0.00 O ATOM 0 H GLU 1 49 0.482 -8.539 6.790 1.00 0.00 H new ATOM 0 HA GLU 1 49 -2.277 -8.820 7.524 1.00 0.00 H new ATOM 0 HB2 GLU 1 49 -1.196 -6.757 8.857 1.00 0.00 H new ATOM 0 HB3 GLU 1 49 -1.387 -5.953 7.312 1.00 0.00 H new ATOM 0 HG2 GLU 1 49 -3.385 -5.413 8.349 1.00 0.00 H new ATOM 0 HG3 GLU 1 49 -3.856 -6.826 7.425 1.00 0.00 H new ATOM 834 N CYS 1 50 -2.841 -7.854 5.201 1.00 0.00 N ATOM 835 CA CYS 1 50 -3.133 -7.641 3.803 1.00 0.00 C ATOM 836 C CYS 1 50 -4.288 -6.664 3.671 1.00 0.00 C ATOM 837 O CYS 1 50 -5.179 -6.603 4.525 1.00 0.00 O ATOM 838 CB CYS 1 50 -3.443 -8.955 3.082 1.00 0.00 C ATOM 839 SG CYS 1 50 -3.861 -8.773 1.330 1.00 0.00 S ATOM 0 H CYS 1 50 -3.675 -7.973 5.777 1.00 0.00 H new ATOM 0 HA CYS 1 50 -2.248 -7.219 3.326 1.00 0.00 H new ATOM 0 HB2 CYS 1 50 -2.580 -9.615 3.169 1.00 0.00 H new ATOM 0 HB3 CYS 1 50 -4.272 -9.446 3.591 1.00 0.00 H new ATOM 0 HG CYS 1 50 -4.598 -9.776 0.953 1.00 0.00 H new ATOM 845 N MET 1 51 -4.251 -5.913 2.584 1.00 0.00 N ATOM 846 CA MET 1 51 -5.241 -4.888 2.289 1.00 0.00 C ATOM 847 C MET 1 51 -5.506 -4.776 0.791 1.00 0.00 C ATOM 848 O MET 1 51 -4.587 -4.773 -0.028 1.00 0.00 O ATOM 849 CB MET 1 51 -4.775 -3.543 2.843 1.00 0.00 C ATOM 850 CG MET 1 51 -5.709 -2.364 2.582 1.00 0.00 C ATOM 851 SD MET 1 51 -5.090 -0.823 3.285 1.00 0.00 S ATOM 852 CE MET 1 51 -6.119 0.371 2.437 1.00 0.00 C ATOM 0 H MET 1 51 -3.525 -5.998 1.872 1.00 0.00 H new ATOM 0 HA MET 1 51 -6.176 -5.176 2.769 1.00 0.00 H new ATOM 0 HB2 MET 1 51 -4.636 -3.642 3.920 1.00 0.00 H new ATOM 0 HB3 MET 1 51 -3.799 -3.312 2.415 1.00 0.00 H new ATOM 0 HG2 MET 1 51 -5.842 -2.241 1.507 1.00 0.00 H new ATOM 0 HG3 MET 1 51 -6.691 -2.583 3.002 1.00 0.00 H new ATOM 0 HE1 MET 1 51 -5.856 1.376 2.766 1.00 0.00 H new ATOM 0 HE2 MET 1 51 -5.962 0.288 1.362 1.00 0.00 H new ATOM 0 HE3 MET 1 51 -7.167 0.177 2.667 1.00 0.00 H new ATOM 862 N VAL 1 52 -6.788 -4.719 0.478 1.00 0.00 N ATOM 863 CA VAL 1 52 -7.290 -4.551 -0.882 1.00 0.00 C ATOM 864 C VAL 1 52 -8.300 -3.405 -0.893 1.00 0.00 C ATOM 865 O VAL 1 52 -9.252 -3.383 -0.108 1.00 0.00 O ATOM 866 CB VAL 1 52 -7.927 -5.840 -1.434 1.00 0.00 C ATOM 867 CG1 VAL 1 52 -8.416 -5.688 -2.877 1.00 0.00 C ATOM 868 CG2 VAL 1 52 -6.947 -6.992 -1.344 1.00 0.00 C ATOM 0 H VAL 1 52 -7.529 -4.789 1.175 1.00 0.00 H new ATOM 0 HA VAL 1 52 -6.448 -4.318 -1.534 1.00 0.00 H new ATOM 0 HB VAL 1 52 -8.800 -6.047 -0.816 1.00 0.00 H new ATOM 0 HG11 VAL 1 52 -8.855 -6.627 -3.213 1.00 0.00 H new ATOM 0 HG12 VAL 1 52 -9.166 -4.899 -2.926 1.00 0.00 H new ATOM 0 HG13 VAL 1 52 -7.575 -5.430 -3.521 1.00 0.00 H new ATOM 0 HG21 VAL 1 52 -7.411 -7.896 -1.738 1.00 0.00 H new ATOM 0 HG22 VAL 1 52 -6.056 -6.758 -1.927 1.00 0.00 H new ATOM 0 HG23 VAL 1 52 -6.668 -7.152 -0.303 1.00 0.00 H new ATOM 878 N MET 1 53 -8.053 -2.462 -1.790 1.00 0.00 N ATOM 879 CA MET 1 53 -8.883 -1.261 -1.964 1.00 0.00 C ATOM 880 C MET 1 53 -10.237 -1.581 -2.603 1.00 0.00 C ATOM 881 O MET 1 53 -10.307 -2.054 -3.743 1.00 0.00 O ATOM 882 CB MET 1 53 -8.130 -0.221 -2.803 1.00 0.00 C ATOM 883 CG MET 1 53 -7.491 0.885 -1.976 1.00 0.00 C ATOM 884 SD MET 1 53 -8.683 1.789 -0.968 1.00 0.00 S ATOM 885 CE MET 1 53 -7.618 3.016 -0.216 1.00 0.00 C ATOM 0 H MET 1 53 -7.261 -2.503 -2.431 1.00 0.00 H new ATOM 0 HA MET 1 53 -9.083 -0.854 -0.973 1.00 0.00 H new ATOM 0 HB2 MET 1 53 -7.355 -0.725 -3.380 1.00 0.00 H new ATOM 0 HB3 MET 1 53 -8.821 0.225 -3.518 1.00 0.00 H new ATOM 0 HG2 MET 1 53 -6.729 0.452 -1.328 1.00 0.00 H new ATOM 0 HG3 MET 1 53 -6.984 1.583 -2.642 1.00 0.00 H new ATOM 0 HE1 MET 1 53 -8.208 3.657 0.440 1.00 0.00 H new ATOM 0 HE2 MET 1 53 -6.842 2.517 0.365 1.00 0.00 H new ATOM 0 HE3 MET 1 53 -7.155 3.622 -0.995 1.00 0.00 H new ATOM 895 N ARG 1 54 -11.304 -1.316 -1.842 1.00 0.00 N ATOM 896 CA ARG 1 54 -12.673 -1.570 -2.286 1.00 0.00 C ATOM 897 C ARG 1 54 -13.572 -0.356 -2.036 1.00 0.00 C ATOM 898 O ARG 1 54 -13.258 0.496 -1.199 1.00 0.00 O ATOM 899 CB ARG 1 54 -13.229 -2.797 -1.561 1.00 0.00 C ATOM 900 CG ARG 1 54 -12.975 -4.104 -2.291 1.00 0.00 C ATOM 901 CD ARG 1 54 -13.542 -5.286 -1.524 1.00 0.00 C ATOM 902 NE ARG 1 54 -13.386 -6.544 -2.260 1.00 0.00 N ATOM 903 CZ ARG 1 54 -13.139 -7.734 -1.694 1.00 0.00 C ATOM 904 NH1 ARG 1 54 -13.013 -7.856 -0.373 1.00 0.00 N ATOM 905 NH2 ARG 1 54 -13.017 -8.808 -2.460 1.00 0.00 N ATOM 0 H ARG 1 54 -11.240 -0.921 -0.904 1.00 0.00 H new ATOM 0 HA ARG 1 54 -12.657 -1.758 -3.360 1.00 0.00 H new ATOM 0 HB2 ARG 1 54 -12.784 -2.854 -0.567 1.00 0.00 H new ATOM 0 HB3 ARG 1 54 -14.303 -2.671 -1.423 1.00 0.00 H new ATOM 0 HG2 ARG 1 54 -13.425 -4.062 -3.283 1.00 0.00 H new ATOM 0 HG3 ARG 1 54 -11.903 -4.241 -2.433 1.00 0.00 H new ATOM 0 HD2 ARG 1 54 -13.041 -5.366 -0.559 1.00 0.00 H new ATOM 0 HD3 ARG 1 54 -14.599 -5.113 -1.321 1.00 0.00 H new ATOM 0 HE ARG 1 54 -13.472 -6.512 -3.276 1.00 0.00 H new ATOM 0 HH11 ARG 1 54 -13.104 -7.035 0.226 1.00 0.00 H new ATOM 0 HH12 ARG 1 54 -12.825 -8.770 0.039 1.00 0.00 H new ATOM 0 HH21 ARG 1 54 -13.111 -8.726 -3.472 1.00 0.00 H new ATOM 0 HH22 ARG 1 54 -12.829 -9.717 -2.037 1.00 0.00 H new ATOM 919 N ASP 1 55 -14.698 -0.303 -2.759 1.00 0.00 N ATOM 920 CA ASP 1 55 -15.655 0.768 -2.652 1.00 0.00 C ATOM 921 C ASP 1 55 -16.910 0.296 -1.909 1.00 0.00 C ATOM 922 O ASP 1 55 -17.574 -0.630 -2.370 1.00 0.00 O ATOM 923 CB ASP 1 55 -16.036 1.252 -4.037 1.00 0.00 C ATOM 924 CG ASP 1 55 -15.192 2.419 -4.508 1.00 0.00 C ATOM 925 OD1 ASP 1 55 -15.607 3.577 -4.291 1.00 0.00 O ATOM 926 OD2 ASP 1 55 -14.117 2.176 -5.094 1.00 0.00 O ATOM 0 H ASP 1 55 -14.959 -1.018 -3.438 1.00 0.00 H new ATOM 0 HA ASP 1 55 -15.202 1.585 -2.090 1.00 0.00 H new ATOM 0 HB2 ASP 1 55 -15.935 0.429 -4.744 1.00 0.00 H new ATOM 0 HB3 ASP 1 55 -17.086 1.546 -4.037 1.00 0.00 H new ATOM 931 N PRO 1 56 -17.254 0.893 -0.731 1.00 0.00 N ATOM 932 CA PRO 1 56 -18.466 0.510 0.032 1.00 0.00 C ATOM 933 C PRO 1 56 -19.783 0.756 -0.727 1.00 0.00 C ATOM 934 O PRO 1 56 -20.848 0.323 -0.276 1.00 0.00 O ATOM 935 CB PRO 1 56 -18.410 1.408 1.277 1.00 0.00 C ATOM 936 CG PRO 1 56 -16.990 1.842 1.385 1.00 0.00 C ATOM 937 CD PRO 1 56 -16.477 1.932 -0.023 1.00 0.00 C ATOM 0 HA PRO 1 56 -18.465 -0.560 0.242 1.00 0.00 H new ATOM 0 HB2 PRO 1 56 -19.076 2.265 1.174 1.00 0.00 H new ATOM 0 HB3 PRO 1 56 -18.724 0.865 2.168 1.00 0.00 H new ATOM 0 HG2 PRO 1 56 -16.914 2.805 1.890 1.00 0.00 H new ATOM 0 HG3 PRO 1 56 -16.407 1.129 1.968 1.00 0.00 H new ATOM 0 HD2 PRO 1 56 -16.644 2.921 -0.450 1.00 0.00 H new ATOM 0 HD3 PRO 1 56 -15.405 1.739 -0.075 1.00 0.00 H new ATOM 945 N THR 1 57 -19.699 1.450 -1.877 1.00 0.00 N ATOM 946 CA THR 1 57 -20.869 1.766 -2.695 1.00 0.00 C ATOM 947 C THR 1 57 -21.286 0.602 -3.599 1.00 0.00 C ATOM 948 O THR 1 57 -22.476 0.292 -3.711 1.00 0.00 O ATOM 949 CB THR 1 57 -20.633 3.015 -3.573 1.00 0.00 C ATOM 950 OG1 THR 1 57 -19.369 2.919 -4.240 1.00 0.00 O ATOM 951 CG2 THR 1 57 -20.680 4.290 -2.741 1.00 0.00 C ATOM 0 H THR 1 57 -18.821 1.803 -2.258 1.00 0.00 H new ATOM 0 HA THR 1 57 -21.674 1.964 -1.987 1.00 0.00 H new ATOM 0 HB THR 1 57 -21.431 3.059 -4.314 1.00 0.00 H new ATOM 0 HG1 THR 1 57 -19.231 3.715 -4.795 1.00 0.00 H new ATOM 0 HG21 THR 1 57 -20.511 5.152 -3.386 1.00 0.00 H new ATOM 0 HG22 THR 1 57 -21.657 4.379 -2.266 1.00 0.00 H new ATOM 0 HG23 THR 1 57 -19.906 4.253 -1.974 1.00 0.00 H new ATOM 959 N THR 1 58 -20.293 -0.030 -4.238 1.00 0.00 N ATOM 960 CA THR 1 58 -20.530 -1.160 -5.149 1.00 0.00 C ATOM 961 C THR 1 58 -19.866 -2.452 -4.660 1.00 0.00 C ATOM 962 O THR 1 58 -20.112 -3.528 -5.212 1.00 0.00 O ATOM 963 CB THR 1 58 -20.017 -0.845 -6.575 1.00 0.00 C ATOM 964 OG1 THR 1 58 -18.616 -0.536 -6.540 1.00 0.00 O ATOM 965 CG2 THR 1 58 -20.775 0.325 -7.184 1.00 0.00 C ATOM 0 H THR 1 58 -19.310 0.224 -4.140 1.00 0.00 H new ATOM 0 HA THR 1 58 -21.609 -1.310 -5.169 1.00 0.00 H new ATOM 0 HB THR 1 58 -20.183 -1.728 -7.192 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -18.301 -0.340 -7.447 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -20.394 0.524 -8.186 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -21.836 0.081 -7.242 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -20.640 1.210 -6.562 1.00 0.00 H new ATOM 973 N LYS 1 59 -19.020 -2.334 -3.611 1.00 0.00 N ATOM 974 CA LYS 1 59 -18.274 -3.470 -3.000 1.00 0.00 C ATOM 975 C LYS 1 59 -17.293 -4.111 -3.994 1.00 0.00 C ATOM 976 O LYS 1 59 -16.732 -5.185 -3.743 1.00 0.00 O ATOM 977 CB LYS 1 59 -19.243 -4.528 -2.437 1.00 0.00 C ATOM 978 CG LYS 1 59 -20.436 -3.934 -1.704 1.00 0.00 C ATOM 979 CD LYS 1 59 -20.120 -3.624 -0.247 1.00 0.00 C ATOM 980 CE LYS 1 59 -21.299 -2.965 0.447 1.00 0.00 C ATOM 981 NZ LYS 1 59 -20.993 -2.633 1.867 1.00 0.00 N ATOM 0 H LYS 1 59 -18.831 -1.441 -3.157 1.00 0.00 H new ATOM 0 HA LYS 1 59 -17.689 -3.063 -2.175 1.00 0.00 H new ATOM 0 HB2 LYS 1 59 -19.604 -5.150 -3.256 1.00 0.00 H new ATOM 0 HB3 LYS 1 59 -18.698 -5.182 -1.756 1.00 0.00 H new ATOM 0 HG2 LYS 1 59 -20.752 -3.020 -2.208 1.00 0.00 H new ATOM 0 HG3 LYS 1 59 -21.273 -4.630 -1.752 1.00 0.00 H new ATOM 0 HD2 LYS 1 59 -19.857 -4.545 0.274 1.00 0.00 H new ATOM 0 HD3 LYS 1 59 -19.251 -2.968 -0.193 1.00 0.00 H new ATOM 0 HE2 LYS 1 59 -21.573 -2.055 -0.088 1.00 0.00 H new ATOM 0 HE3 LYS 1 59 -22.162 -3.630 0.407 1.00 0.00 H new ATOM 0 HZ1 LYS 1 59 -21.823 -2.185 2.305 1.00 0.00 H new ATOM 0 HZ2 LYS 1 59 -20.756 -3.504 2.384 1.00 0.00 H new ATOM 0 HZ3 LYS 1 59 -20.186 -1.978 1.904 1.00 0.00 H new ATOM 995 N ARG 1 60 -17.082 -3.410 -5.108 1.00 0.00 N ATOM 996 CA ARG 1 60 -16.180 -3.856 -6.176 1.00 0.00 C ATOM 997 C ARG 1 60 -14.754 -3.356 -5.953 1.00 0.00 C ATOM 998 O ARG 1 60 -14.547 -2.267 -5.409 1.00 0.00 O ATOM 999 CB ARG 1 60 -16.693 -3.372 -7.540 1.00 0.00 C ATOM 1000 CG ARG 1 60 -17.945 -4.098 -8.022 1.00 0.00 C ATOM 1001 CD ARG 1 60 -17.601 -5.369 -8.791 1.00 0.00 C ATOM 1002 NE ARG 1 60 -18.665 -6.374 -8.704 1.00 0.00 N ATOM 1003 CZ ARG 1 60 -18.734 -7.480 -9.461 1.00 0.00 C ATOM 1004 NH1 ARG 1 60 -17.805 -7.747 -10.377 1.00 0.00 N ATOM 1005 NH2 ARG 1 60 -19.740 -8.327 -9.292 1.00 0.00 N ATOM 0 H ARG 1 60 -17.532 -2.514 -5.298 1.00 0.00 H new ATOM 0 HA ARG 1 60 -16.162 -4.946 -6.159 1.00 0.00 H new ATOM 0 HB2 ARG 1 60 -16.904 -2.304 -7.480 1.00 0.00 H new ATOM 0 HB3 ARG 1 60 -15.903 -3.499 -8.280 1.00 0.00 H new ATOM 0 HG2 ARG 1 60 -18.572 -4.349 -7.166 1.00 0.00 H new ATOM 0 HG3 ARG 1 60 -18.528 -3.434 -8.660 1.00 0.00 H new ATOM 0 HD2 ARG 1 60 -17.422 -5.121 -9.837 1.00 0.00 H new ATOM 0 HD3 ARG 1 60 -16.674 -5.789 -8.400 1.00 0.00 H new ATOM 0 HE ARG 1 60 -19.406 -6.222 -8.019 1.00 0.00 H new ATOM 0 HH11 ARG 1 60 -17.024 -7.106 -10.513 1.00 0.00 H new ATOM 0 HH12 ARG 1 60 -17.875 -8.593 -10.943 1.00 0.00 H new ATOM 0 HH21 ARG 1 60 -20.455 -8.136 -8.590 1.00 0.00 H new ATOM 0 HH22 ARG 1 60 -19.799 -9.170 -9.864 1.00 0.00 H new ATOM 1019 N SER 1 61 -13.780 -4.167 -6.385 1.00 0.00 N ATOM 1020 CA SER 1 61 -12.357 -3.842 -6.248 1.00 0.00 C ATOM 1021 C SER 1 61 -11.852 -3.026 -7.443 1.00 0.00 C ATOM 1022 O SER 1 61 -12.437 -3.079 -8.529 1.00 0.00 O ATOM 1023 CB SER 1 61 -11.541 -5.130 -6.106 1.00 0.00 C ATOM 1024 OG SER 1 61 -11.796 -6.022 -7.179 1.00 0.00 O ATOM 0 H SER 1 61 -13.957 -5.064 -6.838 1.00 0.00 H new ATOM 0 HA SER 1 61 -12.233 -3.233 -5.352 1.00 0.00 H new ATOM 0 HB2 SER 1 61 -10.479 -4.889 -6.076 1.00 0.00 H new ATOM 0 HB3 SER 1 61 -11.785 -5.615 -5.161 1.00 0.00 H new ATOM 0 HG SER 1 61 -11.261 -6.835 -7.063 1.00 0.00 H new ATOM 1030 N ARG 1 62 -10.763 -2.277 -7.227 1.00 0.00 N ATOM 1031 CA ARG 1 62 -10.164 -1.441 -8.277 1.00 0.00 C ATOM 1032 C ARG 1 62 -9.058 -2.186 -9.038 1.00 0.00 C ATOM 1033 O ARG 1 62 -8.551 -1.689 -10.050 1.00 0.00 O ATOM 1034 CB ARG 1 62 -9.600 -0.150 -7.673 1.00 0.00 C ATOM 1035 CG ARG 1 62 -10.663 0.857 -7.251 1.00 0.00 C ATOM 1036 CD ARG 1 62 -10.040 2.150 -6.739 1.00 0.00 C ATOM 1037 NE ARG 1 62 -9.500 2.975 -7.829 1.00 0.00 N ATOM 1038 CZ ARG 1 62 -8.542 3.903 -7.683 1.00 0.00 C ATOM 1039 NH1 ARG 1 62 -7.995 4.148 -6.494 1.00 0.00 N ATOM 1040 NH2 ARG 1 62 -8.130 4.590 -8.740 1.00 0.00 N ATOM 0 H ARG 1 62 -10.277 -2.233 -6.331 1.00 0.00 H new ATOM 0 HA ARG 1 62 -10.953 -1.195 -8.988 1.00 0.00 H new ATOM 0 HB2 ARG 1 62 -8.991 -0.404 -6.806 1.00 0.00 H new ATOM 0 HB3 ARG 1 62 -8.938 0.320 -8.401 1.00 0.00 H new ATOM 0 HG2 ARG 1 62 -11.313 1.076 -8.098 1.00 0.00 H new ATOM 0 HG3 ARG 1 62 -11.289 0.421 -6.473 1.00 0.00 H new ATOM 0 HD2 ARG 1 62 -10.790 2.721 -6.191 1.00 0.00 H new ATOM 0 HD3 ARG 1 62 -9.242 1.913 -6.035 1.00 0.00 H new ATOM 0 HE ARG 1 62 -9.881 2.832 -8.764 1.00 0.00 H new ATOM 0 HH11 ARG 1 62 -8.303 3.626 -5.674 1.00 0.00 H new ATOM 0 HH12 ARG 1 62 -7.268 4.858 -6.404 1.00 0.00 H new ATOM 0 HH21 ARG 1 62 -8.541 4.411 -9.656 1.00 0.00 H new ATOM 0 HH22 ARG 1 62 -7.402 5.297 -8.637 1.00 0.00 H new ATOM 1054 N GLY 1 63 -8.703 -3.381 -8.549 1.00 0.00 N ATOM 1055 CA GLY 1 63 -7.670 -4.192 -9.184 1.00 0.00 C ATOM 1056 C GLY 1 63 -6.273 -3.963 -8.623 1.00 0.00 C ATOM 1057 O GLY 1 63 -5.284 -4.254 -9.301 1.00 0.00 O ATOM 0 H GLY 1 63 -9.118 -3.802 -7.718 1.00 0.00 H new ATOM 0 HA2 GLY 1 63 -7.928 -5.245 -9.071 1.00 0.00 H new ATOM 0 HA3 GLY 1 63 -7.661 -3.979 -10.253 1.00 0.00 H new ATOM 1061 N PHE 1 64 -6.187 -3.423 -7.395 1.00 0.00 N ATOM 1062 CA PHE 1 64 -4.896 -3.174 -6.737 1.00 0.00 C ATOM 1063 C PHE 1 64 -5.014 -3.309 -5.213 1.00 0.00 C ATOM 1064 O PHE 1 64 -6.101 -3.132 -4.654 1.00 0.00 O ATOM 1065 CB PHE 1 64 -4.323 -1.802 -7.148 1.00 0.00 C ATOM 1066 CG PHE 1 64 -5.032 -0.610 -6.572 1.00 0.00 C ATOM 1067 CD1 PHE 1 64 -5.962 0.082 -7.314 1.00 0.00 C ATOM 1068 CD2 PHE 1 64 -4.746 -0.189 -5.293 1.00 0.00 C ATOM 1069 CE1 PHE 1 64 -6.602 1.189 -6.786 1.00 0.00 C ATOM 1070 CE2 PHE 1 64 -5.378 0.911 -4.750 1.00 0.00 C ATOM 1071 CZ PHE 1 64 -6.308 1.606 -5.501 1.00 0.00 C ATOM 0 H PHE 1 64 -6.998 -3.151 -6.839 1.00 0.00 H new ATOM 0 HA PHE 1 64 -4.193 -3.936 -7.073 1.00 0.00 H new ATOM 0 HB2 PHE 1 64 -3.276 -1.760 -6.849 1.00 0.00 H new ATOM 0 HB3 PHE 1 64 -4.347 -1.728 -8.235 1.00 0.00 H new ATOM 0 HD1 PHE 1 64 -6.194 -0.242 -8.318 1.00 0.00 H new ATOM 0 HD2 PHE 1 64 -4.017 -0.727 -4.706 1.00 0.00 H new ATOM 0 HE1 PHE 1 64 -7.330 1.726 -7.376 1.00 0.00 H new ATOM 0 HE2 PHE 1 64 -5.147 1.227 -3.743 1.00 0.00 H new ATOM 0 HZ PHE 1 64 -6.803 2.471 -5.085 1.00 0.00 H new ATOM 1081 N GLY 1 65 -3.887 -3.623 -4.555 1.00 0.00 N ATOM 1082 CA GLY 1 65 -3.855 -3.779 -3.134 1.00 0.00 C ATOM 1083 C GLY 1 65 -2.437 -3.785 -2.621 1.00 0.00 C ATOM 1084 O GLY 1 65 -1.505 -3.435 -3.343 1.00 0.00 O ATOM 0 H GLY 1 65 -2.987 -3.771 -5.012 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -4.412 -2.969 -2.663 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -4.350 -4.710 -2.856 1.00 0.00 H new ATOM 1088 N PHE 1 66 -2.301 -4.136 -1.357 1.00 0.00 N ATOM 1089 CA PHE 1 66 -1.058 -4.217 -0.667 1.00 0.00 C ATOM 1090 C PHE 1 66 -1.017 -5.485 0.179 1.00 0.00 C ATOM 1091 O PHE 1 66 -2.045 -6.127 0.421 1.00 0.00 O ATOM 1092 CB PHE 1 66 -0.932 -3.009 0.231 1.00 0.00 C ATOM 1093 CG PHE 1 66 -0.755 -1.706 -0.495 1.00 0.00 C ATOM 1094 CD1 PHE 1 66 0.500 -1.141 -0.651 1.00 0.00 C ATOM 1095 CD2 PHE 1 66 -1.856 -1.045 -1.014 1.00 0.00 C ATOM 1096 CE1 PHE 1 66 0.653 0.063 -1.314 1.00 0.00 C ATOM 1097 CE2 PHE 1 66 -1.711 0.156 -1.680 1.00 0.00 C ATOM 1098 CZ PHE 1 66 -0.454 0.712 -1.829 1.00 0.00 C ATOM 0 H PHE 1 66 -3.098 -4.381 -0.770 1.00 0.00 H new ATOM 0 HA PHE 1 66 -0.237 -4.244 -1.383 1.00 0.00 H new ATOM 0 HB2 PHE 1 66 -1.822 -2.943 0.857 1.00 0.00 H new ATOM 0 HB3 PHE 1 66 -0.083 -3.156 0.899 1.00 0.00 H new ATOM 0 HD1 PHE 1 66 1.367 -1.645 -0.251 1.00 0.00 H new ATOM 0 HD2 PHE 1 66 -2.840 -1.474 -0.896 1.00 0.00 H new ATOM 0 HE1 PHE 1 66 1.636 0.496 -1.429 1.00 0.00 H new ATOM 0 HE2 PHE 1 66 -2.577 0.660 -2.083 1.00 0.00 H new ATOM 0 HZ PHE 1 66 -0.337 1.652 -2.347 1.00 0.00 H new ATOM 1108 N VAL 1 67 0.184 -5.835 0.594 1.00 0.00 N ATOM 1109 CA VAL 1 67 0.440 -6.988 1.449 1.00 0.00 C ATOM 1110 C VAL 1 67 1.614 -6.642 2.321 1.00 0.00 C ATOM 1111 O VAL 1 67 2.645 -6.153 1.854 1.00 0.00 O ATOM 1112 CB VAL 1 67 0.709 -8.320 0.672 1.00 0.00 C ATOM 1113 CG1 VAL 1 67 1.171 -9.445 1.609 1.00 0.00 C ATOM 1114 CG2 VAL 1 67 -0.527 -8.774 -0.102 1.00 0.00 C ATOM 0 H VAL 1 67 1.028 -5.320 0.345 1.00 0.00 H new ATOM 0 HA VAL 1 67 -0.460 -7.185 2.031 1.00 0.00 H new ATOM 0 HB VAL 1 67 1.511 -8.109 -0.035 1.00 0.00 H new ATOM 0 HG11 VAL 1 67 1.347 -10.352 1.030 1.00 0.00 H new ATOM 0 HG12 VAL 1 67 2.094 -9.148 2.107 1.00 0.00 H new ATOM 0 HG13 VAL 1 67 0.401 -9.635 2.356 1.00 0.00 H new ATOM 0 HG21 VAL 1 67 -0.305 -9.702 -0.630 1.00 0.00 H new ATOM 0 HG22 VAL 1 67 -1.351 -8.940 0.592 1.00 0.00 H new ATOM 0 HG23 VAL 1 67 -0.808 -8.005 -0.822 1.00 0.00 H new ATOM 1124 N THR 1 68 1.425 -6.906 3.585 1.00 0.00 N ATOM 1125 CA THR 1 68 2.401 -6.607 4.586 1.00 0.00 C ATOM 1126 C THR 1 68 3.102 -7.853 5.074 1.00 0.00 C ATOM 1127 O THR 1 68 2.543 -8.650 5.828 1.00 0.00 O ATOM 1128 CB THR 1 68 1.750 -5.882 5.745 1.00 0.00 C ATOM 1129 OG1 THR 1 68 0.688 -5.054 5.242 1.00 0.00 O ATOM 1130 CG2 THR 1 68 2.785 -5.055 6.498 1.00 0.00 C ATOM 0 H THR 1 68 0.577 -7.340 3.949 1.00 0.00 H new ATOM 0 HA THR 1 68 3.155 -5.962 4.135 1.00 0.00 H new ATOM 0 HB THR 1 68 1.332 -6.604 6.446 1.00 0.00 H new ATOM 0 HG1 THR 1 68 -0.114 -5.600 5.102 1.00 0.00 H new ATOM 0 HG21 THR 1 68 2.304 -4.539 7.329 1.00 0.00 H new ATOM 0 HG22 THR 1 68 3.566 -5.711 6.882 1.00 0.00 H new ATOM 0 HG23 THR 1 68 3.227 -4.322 5.823 1.00 0.00 H new ATOM 1138 N PHE 1 69 4.340 -7.984 4.635 1.00 0.00 N ATOM 1139 CA PHE 1 69 5.182 -9.107 4.991 1.00 0.00 C ATOM 1140 C PHE 1 69 5.889 -8.912 6.335 1.00 0.00 C ATOM 1141 O PHE 1 69 6.586 -7.913 6.542 1.00 0.00 O ATOM 1142 CB PHE 1 69 6.194 -9.344 3.889 1.00 0.00 C ATOM 1143 CG PHE 1 69 5.654 -10.222 2.803 1.00 0.00 C ATOM 1144 CD1 PHE 1 69 5.089 -9.669 1.668 1.00 0.00 C ATOM 1145 CD2 PHE 1 69 5.690 -11.602 2.929 1.00 0.00 C ATOM 1146 CE1 PHE 1 69 4.571 -10.480 0.674 1.00 0.00 C ATOM 1147 CE2 PHE 1 69 5.178 -12.413 1.943 1.00 0.00 C ATOM 1148 CZ PHE 1 69 4.619 -11.856 0.816 1.00 0.00 C ATOM 0 H PHE 1 69 4.791 -7.309 4.017 1.00 0.00 H new ATOM 0 HA PHE 1 69 4.540 -9.981 5.103 1.00 0.00 H new ATOM 0 HB2 PHE 1 69 6.496 -8.387 3.463 1.00 0.00 H new ATOM 0 HB3 PHE 1 69 7.089 -9.801 4.312 1.00 0.00 H new ATOM 0 HD1 PHE 1 69 5.052 -8.595 1.557 1.00 0.00 H new ATOM 0 HD2 PHE 1 69 6.125 -12.046 3.812 1.00 0.00 H new ATOM 0 HE1 PHE 1 69 4.131 -10.041 -0.209 1.00 0.00 H new ATOM 0 HE2 PHE 1 69 5.215 -13.487 2.053 1.00 0.00 H new ATOM 0 HZ PHE 1 69 4.217 -12.493 0.042 1.00 0.00 H new ATOM 1158 N ALA 1 70 5.697 -9.883 7.242 1.00 0.00 N ATOM 1159 CA ALA 1 70 6.296 -9.845 8.580 1.00 0.00 C ATOM 1160 C ALA 1 70 7.758 -10.284 8.617 1.00 0.00 C ATOM 1161 O ALA 1 70 8.376 -10.365 9.687 1.00 0.00 O ATOM 1162 CB ALA 1 70 5.464 -10.666 9.557 1.00 0.00 C ATOM 0 H ALA 1 70 5.126 -10.710 7.068 1.00 0.00 H new ATOM 0 HA ALA 1 70 6.292 -8.798 8.883 1.00 0.00 H new ATOM 0 HB1 ALA 1 70 5.921 -10.628 10.546 1.00 0.00 H new ATOM 0 HB2 ALA 1 70 4.455 -10.257 9.608 1.00 0.00 H new ATOM 0 HB3 ALA 1 70 5.420 -11.701 9.217 1.00 0.00 H new ATOM 1168 N ASP 1 71 8.293 -10.542 7.445 1.00 0.00 N ATOM 1169 CA ASP 1 71 9.664 -10.965 7.280 1.00 0.00 C ATOM 1170 C ASP 1 71 10.383 -10.133 6.223 1.00 0.00 C ATOM 1171 O ASP 1 71 9.836 -9.921 5.136 1.00 0.00 O ATOM 1172 CB ASP 1 71 9.703 -12.424 6.852 1.00 0.00 C ATOM 1173 CG ASP 1 71 11.019 -13.133 7.149 1.00 0.00 C ATOM 1174 OD1 ASP 1 71 11.612 -12.883 8.223 1.00 0.00 O ATOM 1175 OD2 ASP 1 71 11.447 -13.953 6.312 1.00 0.00 O ATOM 0 H ASP 1 71 7.780 -10.462 6.567 1.00 0.00 H new ATOM 0 HA ASP 1 71 10.167 -10.830 8.237 1.00 0.00 H new ATOM 0 HB2 ASP 1 71 8.896 -12.958 7.353 1.00 0.00 H new ATOM 0 HB3 ASP 1 71 9.507 -12.481 5.781 1.00 0.00 H new ATOM 1180 N PRO 1 72 11.613 -9.632 6.517 1.00 0.00 N ATOM 1181 CA PRO 1 72 12.404 -8.889 5.532 1.00 0.00 C ATOM 1182 C PRO 1 72 12.988 -9.801 4.471 1.00 0.00 C ATOM 1183 O PRO 1 72 13.426 -9.347 3.410 1.00 0.00 O ATOM 1184 CB PRO 1 72 13.538 -8.279 6.331 1.00 0.00 C ATOM 1185 CG PRO 1 72 13.221 -8.512 7.770 1.00 0.00 C ATOM 1186 CD PRO 1 72 12.324 -9.711 7.813 1.00 0.00 C ATOM 0 HA PRO 1 72 11.787 -8.155 5.013 1.00 0.00 H new ATOM 0 HB2 PRO 1 72 14.490 -8.738 6.065 1.00 0.00 H new ATOM 0 HB3 PRO 1 72 13.629 -7.213 6.122 1.00 0.00 H new ATOM 0 HG2 PRO 1 72 14.130 -8.686 8.345 1.00 0.00 H new ATOM 0 HG3 PRO 1 72 12.729 -7.642 8.206 1.00 0.00 H new ATOM 0 HD2 PRO 1 72 12.891 -10.637 7.908 1.00 0.00 H new ATOM 0 HD3 PRO 1 72 11.635 -9.671 8.656 1.00 0.00 H new ATOM 1194 N ALA 1 73 12.987 -11.096 4.789 1.00 0.00 N ATOM 1195 CA ALA 1 73 13.526 -12.117 3.898 1.00 0.00 C ATOM 1196 C ALA 1 73 12.568 -12.444 2.764 1.00 0.00 C ATOM 1197 O ALA 1 73 12.993 -12.783 1.655 1.00 0.00 O ATOM 1198 CB ALA 1 73 13.896 -13.373 4.672 1.00 0.00 C ATOM 0 H ALA 1 73 12.615 -11.462 5.665 1.00 0.00 H new ATOM 0 HA ALA 1 73 14.432 -11.709 3.450 1.00 0.00 H new ATOM 0 HB1 ALA 1 73 14.295 -14.119 3.985 1.00 0.00 H new ATOM 0 HB2 ALA 1 73 14.649 -13.130 5.422 1.00 0.00 H new ATOM 0 HB3 ALA 1 73 13.009 -13.771 5.165 1.00 0.00 H new ATOM 1204 N SER 1 74 11.273 -12.315 3.054 1.00 0.00 N ATOM 1205 CA SER 1 74 10.217 -12.589 2.072 1.00 0.00 C ATOM 1206 C SER 1 74 10.194 -11.533 0.979 1.00 0.00 C ATOM 1207 O SER 1 74 9.872 -11.823 -0.175 1.00 0.00 O ATOM 1208 CB SER 1 74 8.855 -12.698 2.749 1.00 0.00 C ATOM 1209 OG SER 1 74 7.955 -13.436 1.945 1.00 0.00 O ATOM 0 H SER 1 74 10.926 -12.021 3.967 1.00 0.00 H new ATOM 0 HA SER 1 74 10.441 -13.548 1.605 1.00 0.00 H new ATOM 0 HB2 SER 1 74 8.964 -13.181 3.720 1.00 0.00 H new ATOM 0 HB3 SER 1 74 8.454 -11.701 2.932 1.00 0.00 H new ATOM 0 HG SER 1 74 7.036 -13.160 2.145 1.00 0.00 H new ATOM 1215 N VAL 1 75 10.554 -10.309 1.365 1.00 0.00 N ATOM 1216 CA VAL 1 75 10.620 -9.173 0.446 1.00 0.00 C ATOM 1217 C VAL 1 75 11.792 -9.359 -0.514 1.00 0.00 C ATOM 1218 O VAL 1 75 11.735 -8.949 -1.672 1.00 0.00 O ATOM 1219 CB VAL 1 75 10.767 -7.816 1.201 1.00 0.00 C ATOM 1220 CG1 VAL 1 75 10.543 -6.627 0.268 1.00 0.00 C ATOM 1221 CG2 VAL 1 75 9.811 -7.724 2.391 1.00 0.00 C ATOM 0 H VAL 1 75 10.808 -10.077 2.325 1.00 0.00 H new ATOM 0 HA VAL 1 75 9.682 -9.140 -0.109 1.00 0.00 H new ATOM 0 HB VAL 1 75 11.790 -7.779 1.575 1.00 0.00 H new ATOM 0 HG11 VAL 1 75 10.653 -5.699 0.829 1.00 0.00 H new ATOM 0 HG12 VAL 1 75 11.277 -6.654 -0.538 1.00 0.00 H new ATOM 0 HG13 VAL 1 75 9.539 -6.679 -0.153 1.00 0.00 H new ATOM 0 HG21 VAL 1 75 9.944 -6.765 2.891 1.00 0.00 H new ATOM 0 HG22 VAL 1 75 8.783 -7.811 2.039 1.00 0.00 H new ATOM 0 HG23 VAL 1 75 10.024 -8.531 3.092 1.00 0.00 H new ATOM 1231 N ASP 1 76 12.835 -10.011 0.001 1.00 0.00 N ATOM 1232 CA ASP 1 76 14.043 -10.322 -0.750 1.00 0.00 C ATOM 1233 C ASP 1 76 13.752 -11.402 -1.790 1.00 0.00 C ATOM 1234 O ASP 1 76 14.199 -11.332 -2.940 1.00 0.00 O ATOM 1235 CB ASP 1 76 15.121 -10.799 0.219 1.00 0.00 C ATOM 1236 CG ASP 1 76 16.529 -10.482 -0.252 1.00 0.00 C ATOM 1237 OD1 ASP 1 76 17.045 -9.402 0.105 1.00 0.00 O ATOM 1238 OD2 ASP 1 76 17.113 -11.313 -0.979 1.00 0.00 O ATOM 0 H ASP 1 76 12.861 -10.341 0.966 1.00 0.00 H new ATOM 0 HA ASP 1 76 14.390 -9.429 -1.270 1.00 0.00 H new ATOM 0 HB2 ASP 1 76 14.957 -10.336 1.192 1.00 0.00 H new ATOM 0 HB3 ASP 1 76 15.025 -11.876 0.358 1.00 0.00 H new ATOM 1243 N LYS 1 77 12.975 -12.387 -1.343 1.00 0.00 N ATOM 1244 CA LYS 1 77 12.542 -13.522 -2.163 1.00 0.00 C ATOM 1245 C LYS 1 77 11.617 -13.084 -3.298 1.00 0.00 C ATOM 1246 O LYS 1 77 11.747 -13.550 -4.433 1.00 0.00 O ATOM 1247 CB LYS 1 77 11.838 -14.575 -1.298 1.00 0.00 C ATOM 1248 CG LYS 1 77 12.762 -15.288 -0.322 1.00 0.00 C ATOM 1249 CD LYS 1 77 12.138 -16.575 0.195 1.00 0.00 C ATOM 1250 CE LYS 1 77 13.099 -17.335 1.095 1.00 0.00 C ATOM 1251 NZ LYS 1 77 12.514 -18.618 1.573 1.00 0.00 N ATOM 0 H LYS 1 77 12.622 -12.421 -0.387 1.00 0.00 H new ATOM 0 HA LYS 1 77 13.437 -13.958 -2.606 1.00 0.00 H new ATOM 0 HB2 LYS 1 77 11.036 -14.094 -0.738 1.00 0.00 H new ATOM 0 HB3 LYS 1 77 11.373 -15.315 -1.950 1.00 0.00 H new ATOM 0 HG2 LYS 1 77 13.709 -15.513 -0.813 1.00 0.00 H new ATOM 0 HG3 LYS 1 77 12.987 -14.629 0.516 1.00 0.00 H new ATOM 0 HD2 LYS 1 77 11.227 -16.343 0.746 1.00 0.00 H new ATOM 0 HD3 LYS 1 77 11.850 -17.205 -0.646 1.00 0.00 H new ATOM 0 HE2 LYS 1 77 14.022 -17.537 0.552 1.00 0.00 H new ATOM 0 HE3 LYS 1 77 13.362 -16.714 1.952 1.00 0.00 H new ATOM 0 HZ1 LYS 1 77 13.200 -19.106 2.184 1.00 0.00 H new ATOM 0 HZ2 LYS 1 77 11.647 -18.424 2.113 1.00 0.00 H new ATOM 0 HZ3 LYS 1 77 12.286 -19.221 0.757 1.00 0.00 H new ATOM 1265 N VAL 1 78 10.718 -12.150 -2.979 1.00 0.00 N ATOM 1266 CA VAL 1 78 9.747 -11.618 -3.942 1.00 0.00 C ATOM 1267 C VAL 1 78 10.408 -10.595 -4.891 1.00 0.00 C ATOM 1268 O VAL 1 78 10.007 -10.477 -6.052 1.00 0.00 O ATOM 1269 CB VAL 1 78 8.505 -10.995 -3.227 1.00 0.00 C ATOM 1270 CG1 VAL 1 78 7.505 -10.405 -4.222 1.00 0.00 C ATOM 1271 CG2 VAL 1 78 7.803 -12.040 -2.364 1.00 0.00 C ATOM 0 H VAL 1 78 10.641 -11.741 -2.048 1.00 0.00 H new ATOM 0 HA VAL 1 78 9.393 -12.457 -4.541 1.00 0.00 H new ATOM 0 HB VAL 1 78 8.875 -10.186 -2.597 1.00 0.00 H new ATOM 0 HG11 VAL 1 78 6.658 -9.983 -3.680 1.00 0.00 H new ATOM 0 HG12 VAL 1 78 7.990 -9.621 -4.804 1.00 0.00 H new ATOM 0 HG13 VAL 1 78 7.153 -11.189 -4.892 1.00 0.00 H new ATOM 0 HG21 VAL 1 78 6.941 -11.588 -1.874 1.00 0.00 H new ATOM 0 HG22 VAL 1 78 7.471 -12.867 -2.992 1.00 0.00 H new ATOM 0 HG23 VAL 1 78 8.495 -12.413 -1.609 1.00 0.00 H new ATOM 1281 N LEU 1 79 11.412 -9.855 -4.378 1.00 0.00 N ATOM 1282 CA LEU 1 79 12.147 -8.858 -5.141 1.00 0.00 C ATOM 1283 C LEU 1 79 12.889 -9.480 -6.330 1.00 0.00 C ATOM 1284 O LEU 1 79 12.927 -8.898 -7.418 1.00 0.00 O ATOM 1285 CB LEU 1 79 13.134 -8.203 -4.174 1.00 0.00 C ATOM 1286 CG LEU 1 79 13.441 -6.706 -4.335 1.00 0.00 C ATOM 1287 CD1 LEU 1 79 14.368 -6.445 -5.518 1.00 0.00 C ATOM 1288 CD2 LEU 1 79 12.171 -5.857 -4.444 1.00 0.00 C ATOM 0 H LEU 1 79 11.729 -9.943 -3.412 1.00 0.00 H new ATOM 0 HA LEU 1 79 11.458 -8.126 -5.562 1.00 0.00 H new ATOM 0 HB2 LEU 1 79 12.757 -8.356 -3.163 1.00 0.00 H new ATOM 0 HB3 LEU 1 79 14.077 -8.744 -4.248 1.00 0.00 H new ATOM 0 HG LEU 1 79 13.958 -6.401 -3.425 1.00 0.00 H new ATOM 0 HD11 LEU 1 79 14.562 -5.375 -5.599 1.00 0.00 H new ATOM 0 HD12 LEU 1 79 15.309 -6.974 -5.366 1.00 0.00 H new ATOM 0 HD13 LEU 1 79 13.896 -6.799 -6.435 1.00 0.00 H new ATOM 0 HD21 LEU 1 79 12.443 -4.808 -4.556 1.00 0.00 H new ATOM 0 HD22 LEU 1 79 11.593 -6.177 -5.311 1.00 0.00 H new ATOM 0 HD23 LEU 1 79 11.571 -5.982 -3.542 1.00 0.00 H new ATOM 1300 N GLY 1 80 13.464 -10.675 -6.106 1.00 0.00 N ATOM 1301 CA GLY 1 80 14.188 -11.387 -7.147 1.00 0.00 C ATOM 1302 C GLY 1 80 13.280 -12.023 -8.188 1.00 0.00 C ATOM 1303 O GLY 1 80 13.711 -12.300 -9.312 1.00 0.00 O ATOM 0 H GLY 1 80 13.435 -11.159 -5.209 1.00 0.00 H new ATOM 0 HA2 GLY 1 80 14.869 -10.696 -7.643 1.00 0.00 H new ATOM 0 HA3 GLY 1 80 14.801 -12.163 -6.688 1.00 0.00 H new ATOM 1307 N GLN 1 81 12.028 -12.257 -7.798 1.00 0.00 N ATOM 1308 CA GLN 1 81 11.029 -12.845 -8.662 1.00 0.00 C ATOM 1309 C GLN 1 81 10.099 -11.749 -9.228 1.00 0.00 C ATOM 1310 O GLN 1 81 9.173 -11.304 -8.538 1.00 0.00 O ATOM 1311 CB GLN 1 81 10.251 -13.877 -7.853 1.00 0.00 C ATOM 1312 CG GLN 1 81 11.065 -15.123 -7.526 1.00 0.00 C ATOM 1313 CD GLN 1 81 10.832 -16.255 -8.508 1.00 0.00 C ATOM 1314 OE1 GLN 1 81 11.512 -16.356 -9.530 1.00 0.00 O ATOM 1315 NE2 GLN 1 81 9.868 -17.116 -8.202 1.00 0.00 N ATOM 0 H GLN 1 81 11.684 -12.038 -6.863 1.00 0.00 H new ATOM 0 HA GLN 1 81 11.500 -13.336 -9.514 1.00 0.00 H new ATOM 0 HB2 GLN 1 81 9.911 -13.419 -6.924 1.00 0.00 H new ATOM 0 HB3 GLN 1 81 9.360 -14.169 -8.409 1.00 0.00 H new ATOM 0 HG2 GLN 1 81 12.125 -14.867 -7.519 1.00 0.00 H new ATOM 0 HG3 GLN 1 81 10.812 -15.462 -6.521 1.00 0.00 H new ATOM 0 HE21 GLN 1 81 9.329 -16.995 -7.345 1.00 0.00 H new ATOM 0 HE22 GLN 1 81 9.667 -17.899 -8.824 1.00 0.00 H new ATOM 1324 N PRO 1 82 10.346 -11.268 -10.490 1.00 0.00 N ATOM 1325 CA PRO 1 82 9.529 -10.208 -11.117 1.00 0.00 C ATOM 1326 C PRO 1 82 8.182 -10.695 -11.662 1.00 0.00 C ATOM 1327 O PRO 1 82 7.201 -9.944 -11.647 1.00 0.00 O ATOM 1328 CB PRO 1 82 10.405 -9.704 -12.282 1.00 0.00 C ATOM 1329 CG PRO 1 82 11.707 -10.432 -12.176 1.00 0.00 C ATOM 1330 CD PRO 1 82 11.434 -11.684 -11.398 1.00 0.00 C ATOM 0 HA PRO 1 82 9.269 -9.448 -10.380 1.00 0.00 H new ATOM 0 HB2 PRO 1 82 9.927 -9.901 -13.241 1.00 0.00 H new ATOM 0 HB3 PRO 1 82 10.556 -8.626 -12.217 1.00 0.00 H new ATOM 0 HG2 PRO 1 82 12.101 -10.668 -13.165 1.00 0.00 H new ATOM 0 HG3 PRO 1 82 12.455 -9.818 -11.673 1.00 0.00 H new ATOM 0 HD2 PRO 1 82 11.129 -12.506 -12.046 1.00 0.00 H new ATOM 0 HD3 PRO 1 82 12.314 -12.020 -10.849 1.00 0.00 H new ATOM 1338 N HIS 1 83 8.136 -11.952 -12.127 1.00 0.00 N ATOM 1339 CA HIS 1 83 6.917 -12.530 -12.701 1.00 0.00 C ATOM 1340 C HIS 1 83 5.995 -13.105 -11.618 1.00 0.00 C ATOM 1341 O HIS 1 83 6.415 -13.930 -10.801 1.00 0.00 O ATOM 1342 CB HIS 1 83 7.289 -13.617 -13.718 1.00 0.00 C ATOM 1343 CG HIS 1 83 6.222 -13.890 -14.737 1.00 0.00 C ATOM 1344 ND1 HIS 1 83 6.054 -13.126 -15.874 1.00 0.00 N ATOM 1345 CD2 HIS 1 83 5.264 -14.846 -14.784 1.00 0.00 C ATOM 1346 CE1 HIS 1 83 5.037 -13.599 -16.573 1.00 0.00 C ATOM 1347 NE2 HIS 1 83 4.542 -14.642 -15.934 1.00 0.00 N ATOM 0 H HIS 1 83 8.933 -12.588 -12.116 1.00 0.00 H new ATOM 0 HA HIS 1 83 6.370 -11.733 -13.204 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 8.202 -13.320 -14.234 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 7.511 -14.540 -13.183 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 5.099 -15.624 -14.053 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 4.673 -13.200 -17.508 1.00 0.00 H new ATOM 0 HE2 HIS 1 83 3.751 -15.206 -16.244 1.00 0.00 H new ATOM 1356 N HIS 1 84 4.741 -12.636 -11.627 1.00 0.00 N ATOM 1357 CA HIS 1 84 3.712 -13.068 -10.691 1.00 0.00 C ATOM 1358 C HIS 1 84 2.407 -13.264 -11.452 1.00 0.00 C ATOM 1359 O HIS 1 84 1.907 -12.332 -12.093 1.00 0.00 O ATOM 1360 CB HIS 1 84 3.533 -12.025 -9.593 1.00 0.00 C ATOM 1361 CG HIS 1 84 3.360 -12.613 -8.229 1.00 0.00 C ATOM 1362 ND1 HIS 1 84 2.175 -13.170 -7.794 1.00 0.00 N ATOM 1363 CD2 HIS 1 84 4.234 -12.745 -7.202 1.00 0.00 C ATOM 1364 CE1 HIS 1 84 2.329 -13.618 -6.561 1.00 0.00 C ATOM 1365 NE2 HIS 1 84 3.568 -13.373 -6.180 1.00 0.00 N ATOM 0 H HIS 1 84 4.415 -11.938 -12.295 1.00 0.00 H new ATOM 0 HA HIS 1 84 4.007 -14.008 -10.225 1.00 0.00 H new ATOM 0 HB2 HIS 1 84 4.400 -11.364 -9.587 1.00 0.00 H new ATOM 0 HB3 HIS 1 84 2.664 -11.409 -9.827 1.00 0.00 H new ATOM 0 HD2 HIS 1 84 5.263 -12.417 -7.190 1.00 0.00 H new ATOM 0 HE1 HIS 1 84 1.569 -14.103 -5.966 1.00 0.00 H new ATOM 0 HE2 HIS 1 84 3.967 -13.612 -5.272 1.00 0.00 H new ATOM 1374 N GLU 1 85 1.868 -14.475 -11.380 1.00 0.00 N ATOM 1375 CA GLU 1 85 0.659 -14.814 -12.064 1.00 0.00 C ATOM 1376 C GLU 1 85 -0.462 -15.103 -11.084 1.00 0.00 C ATOM 1377 O GLU 1 85 -0.295 -15.808 -10.085 1.00 0.00 O ATOM 1378 CB GLU 1 85 0.890 -16.013 -12.989 1.00 0.00 C ATOM 1379 CG GLU 1 85 0.081 -15.958 -14.277 1.00 0.00 C ATOM 1380 CD GLU 1 85 0.401 -17.103 -15.218 1.00 0.00 C ATOM 1381 OE1 GLU 1 85 -0.208 -18.183 -15.067 1.00 0.00 O ATOM 1382 OE2 GLU 1 85 1.259 -16.919 -16.106 1.00 0.00 O ATOM 0 H GLU 1 85 2.270 -15.241 -10.840 1.00 0.00 H new ATOM 0 HA GLU 1 85 0.360 -13.958 -12.669 1.00 0.00 H new ATOM 0 HB2 GLU 1 85 1.950 -16.069 -13.238 1.00 0.00 H new ATOM 0 HB3 GLU 1 85 0.640 -16.928 -12.452 1.00 0.00 H new ATOM 0 HG2 GLU 1 85 -0.982 -15.978 -14.035 1.00 0.00 H new ATOM 0 HG3 GLU 1 85 0.275 -15.012 -14.783 1.00 0.00 H new ATOM 1389 N LEU 1 86 -1.598 -14.528 -11.420 1.00 0.00 N ATOM 1390 CA LEU 1 86 -2.829 -14.629 -10.692 1.00 0.00 C ATOM 1391 C LEU 1 86 -3.958 -14.629 -11.712 1.00 0.00 C ATOM 1392 O LEU 1 86 -3.981 -13.808 -12.631 1.00 0.00 O ATOM 1393 CB LEU 1 86 -2.964 -13.441 -9.734 1.00 0.00 C ATOM 1394 CG LEU 1 86 -4.353 -13.211 -9.141 1.00 0.00 C ATOM 1395 CD1 LEU 1 86 -4.579 -14.057 -7.895 1.00 0.00 C ATOM 1396 CD2 LEU 1 86 -4.565 -11.737 -8.838 1.00 0.00 C ATOM 0 H LEU 1 86 -1.683 -13.948 -12.255 1.00 0.00 H new ATOM 0 HA LEU 1 86 -2.860 -15.541 -10.096 1.00 0.00 H new ATOM 0 HB2 LEU 1 86 -2.259 -13.580 -8.914 1.00 0.00 H new ATOM 0 HB3 LEU 1 86 -2.663 -12.537 -10.264 1.00 0.00 H new ATOM 0 HG LEU 1 86 -5.087 -13.523 -9.884 1.00 0.00 H new ATOM 0 HD11 LEU 1 86 -5.578 -13.866 -7.502 1.00 0.00 H new ATOM 0 HD12 LEU 1 86 -4.485 -15.113 -8.150 1.00 0.00 H new ATOM 0 HD13 LEU 1 86 -3.836 -13.799 -7.140 1.00 0.00 H new ATOM 0 HD21 LEU 1 86 -5.560 -11.592 -8.416 1.00 0.00 H new ATOM 0 HD22 LEU 1 86 -3.815 -11.401 -8.122 1.00 0.00 H new ATOM 0 HD23 LEU 1 86 -4.473 -11.160 -9.758 1.00 0.00 H new ATOM 1408 N ASP 1 87 -4.893 -15.550 -11.518 1.00 0.00 N ATOM 1409 CA ASP 1 87 -6.069 -15.746 -12.387 1.00 0.00 C ATOM 1410 C ASP 1 87 -5.672 -15.890 -13.858 1.00 0.00 C ATOM 1411 O ASP 1 87 -6.358 -15.432 -14.782 1.00 0.00 O ATOM 1412 CB ASP 1 87 -7.002 -14.584 -12.175 1.00 0.00 C ATOM 1413 CG ASP 1 87 -8.416 -14.819 -12.686 1.00 0.00 C ATOM 1414 OD1 ASP 1 87 -8.683 -14.496 -13.863 1.00 0.00 O ATOM 1415 OD2 ASP 1 87 -9.250 -15.329 -11.910 1.00 0.00 O ATOM 0 H ASP 1 87 -4.863 -16.203 -10.735 1.00 0.00 H new ATOM 0 HA ASP 1 87 -6.570 -16.677 -12.121 1.00 0.00 H new ATOM 0 HB2 ASP 1 87 -7.046 -14.357 -11.110 1.00 0.00 H new ATOM 0 HB3 ASP 1 87 -6.589 -13.706 -12.671 1.00 0.00 H new ATOM 1420 N SER 1 88 -4.545 -16.565 -14.023 1.00 0.00 N ATOM 1421 CA SER 1 88 -3.915 -16.856 -15.332 1.00 0.00 C ATOM 1422 C SER 1 88 -3.357 -15.585 -16.000 1.00 0.00 C ATOM 1423 O SER 1 88 -2.949 -15.617 -17.169 1.00 0.00 O ATOM 1424 CB SER 1 88 -4.887 -17.588 -16.283 1.00 0.00 C ATOM 1425 OG SER 1 88 -5.280 -18.838 -15.745 1.00 0.00 O ATOM 0 H SER 1 88 -4.017 -16.943 -13.237 1.00 0.00 H new ATOM 0 HA SER 1 88 -3.075 -17.520 -15.131 1.00 0.00 H new ATOM 0 HB2 SER 1 88 -5.768 -16.969 -16.455 1.00 0.00 H new ATOM 0 HB3 SER 1 88 -4.409 -17.739 -17.251 1.00 0.00 H new ATOM 0 HG SER 1 88 -5.896 -19.281 -16.364 1.00 0.00 H new ATOM 1431 N LYS 1 89 -3.321 -14.474 -15.244 1.00 0.00 N ATOM 1432 CA LYS 1 89 -2.807 -13.216 -15.744 1.00 0.00 C ATOM 1433 C LYS 1 89 -1.730 -12.678 -14.821 1.00 0.00 C ATOM 1434 O LYS 1 89 -1.712 -12.937 -13.617 1.00 0.00 O ATOM 1435 CB LYS 1 89 -3.907 -12.157 -15.967 1.00 0.00 C ATOM 1436 CG LYS 1 89 -5.051 -12.158 -14.955 1.00 0.00 C ATOM 1437 CD LYS 1 89 -6.179 -11.242 -15.406 1.00 0.00 C ATOM 1438 CE LYS 1 89 -7.209 -11.024 -14.308 1.00 0.00 C ATOM 1439 NZ LYS 1 89 -6.692 -10.142 -13.222 1.00 0.00 N ATOM 0 H LYS 1 89 -3.648 -14.437 -14.279 1.00 0.00 H new ATOM 0 HA LYS 1 89 -2.374 -13.424 -16.723 1.00 0.00 H new ATOM 0 HB2 LYS 1 89 -3.442 -11.171 -15.959 1.00 0.00 H new ATOM 0 HB3 LYS 1 89 -4.328 -12.303 -16.962 1.00 0.00 H new ATOM 0 HG2 LYS 1 89 -5.430 -13.172 -14.830 1.00 0.00 H new ATOM 0 HG3 LYS 1 89 -4.681 -11.834 -13.982 1.00 0.00 H new ATOM 0 HD2 LYS 1 89 -5.765 -10.281 -15.711 1.00 0.00 H new ATOM 0 HD3 LYS 1 89 -6.667 -11.671 -16.281 1.00 0.00 H new ATOM 0 HE2 LYS 1 89 -8.108 -10.581 -14.737 1.00 0.00 H new ATOM 0 HE3 LYS 1 89 -7.498 -11.987 -13.886 1.00 0.00 H new ATOM 0 HZ1 LYS 1 89 -6.463 -10.718 -12.387 1.00 0.00 H new ATOM 0 HZ2 LYS 1 89 -5.835 -9.653 -13.551 1.00 0.00 H new ATOM 0 HZ3 LYS 1 89 -7.417 -9.440 -12.970 1.00 0.00 H new ATOM 1453 N THR 1 90 -0.849 -11.923 -15.434 1.00 0.00 N ATOM 1454 CA THR 1 90 0.305 -11.301 -14.772 1.00 0.00 C ATOM 1455 C THR 1 90 -0.087 -10.003 -14.046 1.00 0.00 C ATOM 1456 O THR 1 90 -0.660 -9.095 -14.655 1.00 0.00 O ATOM 1457 CB THR 1 90 1.421 -10.999 -15.808 1.00 0.00 C ATOM 1458 OG1 THR 1 90 1.509 -12.068 -16.761 1.00 0.00 O ATOM 1459 CG2 THR 1 90 2.784 -10.818 -15.143 1.00 0.00 C ATOM 0 H THR 1 90 -0.904 -11.711 -16.430 1.00 0.00 H new ATOM 0 HA THR 1 90 0.675 -12.008 -14.029 1.00 0.00 H new ATOM 0 HB THR 1 90 1.154 -10.067 -16.306 1.00 0.00 H new ATOM 0 HG1 THR 1 90 2.214 -11.869 -17.412 1.00 0.00 H new ATOM 0 HG21 THR 1 90 3.535 -10.608 -15.904 1.00 0.00 H new ATOM 0 HG22 THR 1 90 2.738 -9.986 -14.440 1.00 0.00 H new ATOM 0 HG23 THR 1 90 3.053 -11.730 -14.610 1.00 0.00 H new ATOM 1467 N ILE 1 91 0.232 -9.937 -12.745 1.00 0.00 N ATOM 1468 CA ILE 1 91 -0.062 -8.757 -11.920 1.00 0.00 C ATOM 1469 C ILE 1 91 1.239 -8.014 -11.575 1.00 0.00 C ATOM 1470 O ILE 1 91 2.328 -8.537 -11.837 1.00 0.00 O ATOM 1471 CB ILE 1 91 -0.917 -9.121 -10.667 1.00 0.00 C ATOM 1472 CG1 ILE 1 91 -0.236 -10.115 -9.717 1.00 0.00 C ATOM 1473 CG2 ILE 1 91 -2.261 -9.673 -11.133 1.00 0.00 C ATOM 1474 CD1 ILE 1 91 -0.989 -10.327 -8.414 1.00 0.00 C ATOM 0 H ILE 1 91 0.696 -10.692 -12.240 1.00 0.00 H new ATOM 0 HA ILE 1 91 -0.680 -8.071 -12.499 1.00 0.00 H new ATOM 0 HB ILE 1 91 -1.048 -8.206 -10.090 1.00 0.00 H new ATOM 0 HG12 ILE 1 91 -0.128 -11.074 -10.224 1.00 0.00 H new ATOM 0 HG13 ILE 1 91 0.769 -9.759 -9.492 1.00 0.00 H new ATOM 0 HG21 ILE 1 91 -2.869 -9.932 -10.266 1.00 0.00 H new ATOM 0 HG22 ILE 1 91 -2.778 -8.919 -11.727 1.00 0.00 H new ATOM 0 HG23 ILE 1 91 -2.098 -10.563 -11.740 1.00 0.00 H new ATOM 0 HD11 ILE 1 91 -0.448 -11.042 -7.793 1.00 0.00 H new ATOM 0 HD12 ILE 1 91 -1.074 -9.378 -7.884 1.00 0.00 H new ATOM 0 HD13 ILE 1 91 -1.985 -10.713 -8.628 1.00 0.00 H new ATOM 1486 N ASP 1 92 1.141 -6.803 -11.000 1.00 0.00 N ATOM 1487 CA ASP 1 92 2.338 -6.013 -10.728 1.00 0.00 C ATOM 1488 C ASP 1 92 2.646 -5.835 -9.222 1.00 0.00 C ATOM 1489 O ASP 1 92 2.289 -4.806 -8.633 1.00 0.00 O ATOM 1490 CB ASP 1 92 2.188 -4.653 -11.425 1.00 0.00 C ATOM 1491 CG ASP 1 92 3.511 -3.941 -11.657 1.00 0.00 C ATOM 1492 OD1 ASP 1 92 3.906 -3.126 -10.796 1.00 0.00 O ATOM 1493 OD2 ASP 1 92 4.147 -4.195 -12.701 1.00 0.00 O ATOM 0 H ASP 1 92 0.263 -6.364 -10.723 1.00 0.00 H new ATOM 0 HA ASP 1 92 3.193 -6.560 -11.124 1.00 0.00 H new ATOM 0 HB2 ASP 1 92 1.690 -4.798 -12.383 1.00 0.00 H new ATOM 0 HB3 ASP 1 92 1.542 -4.014 -10.823 1.00 0.00 H new ATOM 1498 N PRO 1 93 3.276 -6.852 -8.553 1.00 0.00 N ATOM 1499 CA PRO 1 93 3.683 -6.729 -7.147 1.00 0.00 C ATOM 1500 C PRO 1 93 5.035 -6.020 -7.022 1.00 0.00 C ATOM 1501 O PRO 1 93 6.032 -6.465 -7.604 1.00 0.00 O ATOM 1502 CB PRO 1 93 3.781 -8.188 -6.659 1.00 0.00 C ATOM 1503 CG PRO 1 93 3.399 -9.046 -7.829 1.00 0.00 C ATOM 1504 CD PRO 1 93 3.580 -8.202 -9.060 1.00 0.00 C ATOM 0 HA PRO 1 93 2.982 -6.135 -6.561 1.00 0.00 H new ATOM 0 HB2 PRO 1 93 4.791 -8.418 -6.320 1.00 0.00 H new ATOM 0 HB3 PRO 1 93 3.114 -8.362 -5.814 1.00 0.00 H new ATOM 0 HG2 PRO 1 93 4.024 -9.938 -7.876 1.00 0.00 H new ATOM 0 HG3 PRO 1 93 2.367 -9.385 -7.740 1.00 0.00 H new ATOM 0 HD2 PRO 1 93 4.593 -8.270 -9.456 1.00 0.00 H new ATOM 0 HD3 PRO 1 93 2.903 -8.499 -9.861 1.00 0.00 H new ATOM 1512 N LYS 1 94 5.059 -4.913 -6.266 1.00 0.00 N ATOM 1513 CA LYS 1 94 6.293 -4.125 -6.073 1.00 0.00 C ATOM 1514 C LYS 1 94 6.370 -3.537 -4.666 1.00 0.00 C ATOM 1515 O LYS 1 94 5.342 -3.286 -4.037 1.00 0.00 O ATOM 1516 CB LYS 1 94 6.377 -2.962 -7.092 1.00 0.00 C ATOM 1517 CG LYS 1 94 5.989 -3.323 -8.526 1.00 0.00 C ATOM 1518 CD LYS 1 94 7.102 -4.070 -9.252 1.00 0.00 C ATOM 1519 CE LYS 1 94 6.792 -4.233 -10.731 1.00 0.00 C ATOM 1520 NZ LYS 1 94 7.888 -4.930 -11.458 1.00 0.00 N ATOM 0 H LYS 1 94 4.244 -4.541 -5.779 1.00 0.00 H new ATOM 0 HA LYS 1 94 7.126 -4.812 -6.224 1.00 0.00 H new ATOM 0 HB2 LYS 1 94 5.731 -2.154 -6.750 1.00 0.00 H new ATOM 0 HB3 LYS 1 94 7.396 -2.576 -7.095 1.00 0.00 H new ATOM 0 HG2 LYS 1 94 5.089 -3.938 -8.513 1.00 0.00 H new ATOM 0 HG3 LYS 1 94 5.746 -2.413 -9.075 1.00 0.00 H new ATOM 0 HD2 LYS 1 94 8.041 -3.530 -9.134 1.00 0.00 H new ATOM 0 HD3 LYS 1 94 7.239 -5.051 -8.798 1.00 0.00 H new ATOM 0 HE2 LYS 1 94 5.865 -4.795 -10.847 1.00 0.00 H new ATOM 0 HE3 LYS 1 94 6.628 -3.252 -11.177 1.00 0.00 H new ATOM 0 HZ1 LYS 1 94 7.636 -5.020 -12.463 1.00 0.00 H new ATOM 0 HZ2 LYS 1 94 8.767 -4.381 -11.370 1.00 0.00 H new ATOM 0 HZ3 LYS 1 94 8.028 -5.876 -11.050 1.00 0.00 H new ATOM 1534 N VAL 1 95 7.605 -3.286 -4.199 1.00 0.00 N ATOM 1535 CA VAL 1 95 7.845 -2.700 -2.868 1.00 0.00 C ATOM 1536 C VAL 1 95 7.689 -1.169 -2.936 1.00 0.00 C ATOM 1537 O VAL 1 95 8.037 -0.551 -3.947 1.00 0.00 O ATOM 1538 CB VAL 1 95 9.238 -3.075 -2.296 1.00 0.00 C ATOM 1539 CG1 VAL 1 95 9.355 -2.712 -0.816 1.00 0.00 C ATOM 1540 CG2 VAL 1 95 9.546 -4.561 -2.486 1.00 0.00 C ATOM 0 H VAL 1 95 8.456 -3.481 -4.726 1.00 0.00 H new ATOM 0 HA VAL 1 95 7.101 -3.116 -2.189 1.00 0.00 H new ATOM 0 HB VAL 1 95 9.970 -2.494 -2.857 1.00 0.00 H new ATOM 0 HG11 VAL 1 95 10.344 -2.989 -0.450 1.00 0.00 H new ATOM 0 HG12 VAL 1 95 9.210 -1.639 -0.692 1.00 0.00 H new ATOM 0 HG13 VAL 1 95 8.595 -3.249 -0.249 1.00 0.00 H new ATOM 0 HG21 VAL 1 95 10.530 -4.784 -2.073 1.00 0.00 H new ATOM 0 HG22 VAL 1 95 8.792 -5.157 -1.972 1.00 0.00 H new ATOM 0 HG23 VAL 1 95 9.536 -4.802 -3.549 1.00 0.00 H new ATOM 1550 N ALA 1 96 7.158 -0.576 -1.855 1.00 0.00 N ATOM 1551 CA ALA 1 96 6.914 0.875 -1.769 1.00 0.00 C ATOM 1552 C ALA 1 96 8.180 1.725 -1.953 1.00 0.00 C ATOM 1553 O ALA 1 96 9.267 1.347 -1.508 1.00 0.00 O ATOM 1554 CB ALA 1 96 6.252 1.218 -0.446 1.00 0.00 C ATOM 0 H ALA 1 96 6.885 -1.088 -1.016 1.00 0.00 H new ATOM 0 HA ALA 1 96 6.251 1.121 -2.599 1.00 0.00 H new ATOM 0 HB1 ALA 1 96 6.077 2.293 -0.395 1.00 0.00 H new ATOM 0 HB2 ALA 1 96 5.301 0.691 -0.368 1.00 0.00 H new ATOM 0 HB3 ALA 1 96 6.902 0.917 0.375 1.00 0.00 H new ATOM 1560 N PHE 1 97 8.002 2.879 -2.612 1.00 0.00 N ATOM 1561 CA PHE 1 97 9.080 3.821 -2.893 1.00 0.00 C ATOM 1562 C PHE 1 97 8.870 5.153 -2.142 1.00 0.00 C ATOM 1563 O PHE 1 97 7.749 5.669 -2.134 1.00 0.00 O ATOM 1564 CB PHE 1 97 9.123 4.083 -4.394 1.00 0.00 C ATOM 1565 CG PHE 1 97 10.151 3.265 -5.118 1.00 0.00 C ATOM 1566 CD1 PHE 1 97 9.840 1.997 -5.584 1.00 0.00 C ATOM 1567 CD2 PHE 1 97 11.428 3.758 -5.326 1.00 0.00 C ATOM 1568 CE1 PHE 1 97 10.787 1.236 -6.244 1.00 0.00 C ATOM 1569 CE2 PHE 1 97 12.378 3.003 -5.986 1.00 0.00 C ATOM 1570 CZ PHE 1 97 12.058 1.740 -6.445 1.00 0.00 C ATOM 0 H PHE 1 97 7.095 3.182 -2.966 1.00 0.00 H new ATOM 0 HA PHE 1 97 10.021 3.388 -2.553 1.00 0.00 H new ATOM 0 HB2 PHE 1 97 8.141 3.875 -4.819 1.00 0.00 H new ATOM 0 HB3 PHE 1 97 9.327 5.140 -4.564 1.00 0.00 H new ATOM 0 HD1 PHE 1 97 8.848 1.599 -5.430 1.00 0.00 H new ATOM 0 HD2 PHE 1 97 11.684 4.744 -4.968 1.00 0.00 H new ATOM 0 HE1 PHE 1 97 10.534 0.249 -6.602 1.00 0.00 H new ATOM 0 HE2 PHE 1 97 13.370 3.400 -6.143 1.00 0.00 H new ATOM 0 HZ PHE 1 97 12.800 1.148 -6.960 1.00 0.00 H new ATOM 1580 N PRO 1 98 9.931 5.736 -1.490 1.00 0.00 N ATOM 1581 CA PRO 1 98 9.822 7.019 -0.754 1.00 0.00 C ATOM 1582 C PRO 1 98 9.799 8.248 -1.675 1.00 0.00 C ATOM 1583 O PRO 1 98 10.190 8.165 -2.842 1.00 0.00 O ATOM 1584 CB PRO 1 98 11.089 7.039 0.126 1.00 0.00 C ATOM 1585 CG PRO 1 98 11.684 5.677 -0.003 1.00 0.00 C ATOM 1586 CD PRO 1 98 11.301 5.200 -1.365 1.00 0.00 C ATOM 0 HA PRO 1 98 8.887 7.074 -0.196 1.00 0.00 H new ATOM 0 HB2 PRO 1 98 11.787 7.806 -0.209 1.00 0.00 H new ATOM 0 HB3 PRO 1 98 10.843 7.263 1.164 1.00 0.00 H new ATOM 0 HG2 PRO 1 98 12.768 5.710 0.111 1.00 0.00 H new ATOM 0 HG3 PRO 1 98 11.303 5.008 0.768 1.00 0.00 H new ATOM 0 HD2 PRO 1 98 11.965 5.588 -2.137 1.00 0.00 H new ATOM 0 HD3 PRO 1 98 11.325 4.113 -1.441 1.00 0.00 H new ATOM 1594 N ARG 1 99 9.349 9.389 -1.122 1.00 0.00 N ATOM 1595 CA ARG 1 99 9.253 10.657 -1.867 1.00 0.00 C ATOM 1596 C ARG 1 99 10.565 11.450 -1.803 1.00 0.00 C ATOM 1597 O ARG 1 99 11.313 11.344 -0.827 1.00 0.00 O ATOM 1598 CB ARG 1 99 8.103 11.509 -1.313 1.00 0.00 C ATOM 1599 CG ARG 1 99 6.717 10.979 -1.660 1.00 0.00 C ATOM 1600 CD ARG 1 99 5.622 11.753 -0.941 1.00 0.00 C ATOM 1601 NE ARG 1 99 4.283 11.249 -1.275 1.00 0.00 N ATOM 1602 CZ ARG 1 99 3.151 11.605 -0.649 1.00 0.00 C ATOM 1603 NH1 ARG 1 99 3.162 12.475 0.360 1.00 0.00 N ATOM 1604 NH2 ARG 1 99 1.996 11.081 -1.039 1.00 0.00 N ATOM 0 H ARG 1 99 9.043 9.458 -0.151 1.00 0.00 H new ATOM 0 HA ARG 1 99 9.057 10.414 -2.911 1.00 0.00 H new ATOM 0 HB2 ARG 1 99 8.197 11.568 -0.229 1.00 0.00 H new ATOM 0 HB3 ARG 1 99 8.199 12.525 -1.697 1.00 0.00 H new ATOM 0 HG2 ARG 1 99 6.562 11.044 -2.737 1.00 0.00 H new ATOM 0 HG3 ARG 1 99 6.653 9.924 -1.392 1.00 0.00 H new ATOM 0 HD2 ARG 1 99 5.777 11.685 0.136 1.00 0.00 H new ATOM 0 HD3 ARG 1 99 5.689 12.808 -1.207 1.00 0.00 H new ATOM 0 HE ARG 1 99 4.208 10.578 -2.040 1.00 0.00 H new ATOM 0 HH11 ARG 1 99 4.043 12.885 0.671 1.00 0.00 H new ATOM 0 HH12 ARG 1 99 2.289 12.732 0.822 1.00 0.00 H new ATOM 0 HH21 ARG 1 99 1.973 10.413 -1.809 1.00 0.00 H new ATOM 0 HH22 ARG 1 99 1.131 11.346 -0.568 1.00 0.00 H new ATOM 1618 N ARG 1 100 10.828 12.240 -2.856 1.00 0.00 N ATOM 1619 CA ARG 1 100 12.048 13.056 -2.950 1.00 0.00 C ATOM 1620 C ARG 1 100 11.739 14.554 -2.799 1.00 0.00 C ATOM 1621 O ARG 1 100 10.596 14.981 -2.986 1.00 0.00 O ATOM 1622 CB ARG 1 100 12.744 12.792 -4.291 1.00 0.00 C ATOM 1623 CG ARG 1 100 14.264 12.748 -4.197 1.00 0.00 C ATOM 1624 CD ARG 1 100 14.912 12.516 -5.557 1.00 0.00 C ATOM 1625 NE ARG 1 100 14.695 11.151 -6.057 1.00 0.00 N ATOM 1626 CZ ARG 1 100 15.448 10.550 -6.991 1.00 0.00 C ATOM 1627 NH1 ARG 1 100 16.484 11.175 -7.548 1.00 0.00 N ATOM 1628 NH2 ARG 1 100 15.158 9.313 -7.370 1.00 0.00 N ATOM 0 H ARG 1 100 10.207 12.331 -3.660 1.00 0.00 H new ATOM 0 HA ARG 1 100 12.710 12.772 -2.132 1.00 0.00 H new ATOM 0 HB2 ARG 1 100 12.387 11.845 -4.695 1.00 0.00 H new ATOM 0 HB3 ARG 1 100 12.455 13.569 -4.999 1.00 0.00 H new ATOM 0 HG2 ARG 1 100 14.629 13.685 -3.776 1.00 0.00 H new ATOM 0 HG3 ARG 1 100 14.562 11.954 -3.513 1.00 0.00 H new ATOM 0 HD2 ARG 1 100 14.509 13.231 -6.275 1.00 0.00 H new ATOM 0 HD3 ARG 1 100 15.983 12.707 -5.483 1.00 0.00 H new ATOM 0 HE ARG 1 100 13.915 10.622 -5.666 1.00 0.00 H new ATOM 0 HH11 ARG 1 100 16.717 12.127 -7.266 1.00 0.00 H new ATOM 0 HH12 ARG 1 100 17.045 10.701 -8.256 1.00 0.00 H new ATOM 0 HH21 ARG 1 100 14.366 8.824 -6.952 1.00 0.00 H new ATOM 0 HH22 ARG 1 100 15.726 8.850 -8.080 1.00 0.00 H new ATOM 1642 N ALA 1 101 12.778 15.341 -2.456 1.00 0.00 N ATOM 1643 CA ALA 1 101 12.658 16.789 -2.268 1.00 0.00 C ATOM 1644 C ALA 1 101 12.673 17.558 -3.604 1.00 0.00 C ATOM 1645 O ALA 1 101 12.850 16.958 -4.669 1.00 0.00 O ATOM 1646 CB ALA 1 101 13.770 17.285 -1.346 1.00 0.00 C ATOM 0 H ALA 1 101 13.721 14.985 -2.303 1.00 0.00 H new ATOM 0 HA ALA 1 101 11.690 16.984 -1.806 1.00 0.00 H new ATOM 0 HB1 ALA 1 101 13.676 18.362 -1.210 1.00 0.00 H new ATOM 0 HB2 ALA 1 101 13.689 16.788 -0.379 1.00 0.00 H new ATOM 0 HB3 ALA 1 101 14.739 17.059 -1.790 1.00 0.00 H new ATOM 1652 N GLN 1 102 12.489 18.889 -3.529 1.00 0.00 N ATOM 1653 CA GLN 1 102 12.465 19.753 -4.718 1.00 0.00 C ATOM 1654 C GLN 1 102 13.752 20.592 -4.842 1.00 0.00 C ATOM 1655 O GLN 1 102 14.261 21.083 -3.831 1.00 0.00 O ATOM 1656 CB GLN 1 102 11.251 20.686 -4.673 1.00 0.00 C ATOM 1657 CG GLN 1 102 9.935 20.000 -5.006 1.00 0.00 C ATOM 1658 CD GLN 1 102 8.751 20.943 -4.927 1.00 0.00 C ATOM 1659 OE1 GLN 1 102 8.396 21.597 -5.909 1.00 0.00 O ATOM 1660 NE2 GLN 1 102 8.131 21.017 -3.756 1.00 0.00 N ATOM 0 H GLN 1 102 12.354 19.389 -2.651 1.00 0.00 H new ATOM 0 HA GLN 1 102 12.397 19.102 -5.590 1.00 0.00 H new ATOM 0 HB2 GLN 1 102 11.179 21.125 -3.678 1.00 0.00 H new ATOM 0 HB3 GLN 1 102 11.409 21.506 -5.373 1.00 0.00 H new ATOM 0 HG2 GLN 1 102 9.993 19.578 -6.009 1.00 0.00 H new ATOM 0 HG3 GLN 1 102 9.779 19.168 -4.319 1.00 0.00 H new ATOM 0 HE21 GLN 1 102 8.459 20.457 -2.969 1.00 0.00 H new ATOM 0 HE22 GLN 1 102 7.326 21.634 -3.643 1.00 0.00 H new ATOM 1669 N PRO 1 103 14.301 20.769 -6.089 1.00 0.00 N ATOM 1670 CA PRO 1 103 15.526 21.566 -6.318 1.00 0.00 C ATOM 1671 C PRO 1 103 15.275 23.089 -6.324 1.00 0.00 C ATOM 1672 O PRO 1 103 14.127 23.535 -6.242 1.00 0.00 O ATOM 1673 CB PRO 1 103 15.995 21.079 -7.696 1.00 0.00 C ATOM 1674 CG PRO 1 103 14.748 20.685 -8.414 1.00 0.00 C ATOM 1675 CD PRO 1 103 13.793 20.182 -7.362 1.00 0.00 C ATOM 0 HA PRO 1 103 16.257 21.427 -5.521 1.00 0.00 H new ATOM 0 HB2 PRO 1 103 16.527 21.865 -8.232 1.00 0.00 H new ATOM 0 HB3 PRO 1 103 16.680 20.236 -7.604 1.00 0.00 H new ATOM 0 HG2 PRO 1 103 14.324 21.534 -8.950 1.00 0.00 H new ATOM 0 HG3 PRO 1 103 14.954 19.911 -9.154 1.00 0.00 H new ATOM 0 HD2 PRO 1 103 12.771 20.502 -7.567 1.00 0.00 H new ATOM 0 HD3 PRO 1 103 13.784 19.093 -7.322 1.00 0.00 H new ATOM 1683 N LYS 1 104 16.366 23.868 -6.431 1.00 0.00 N ATOM 1684 CA LYS 1 104 16.300 25.338 -6.451 1.00 0.00 C ATOM 1685 C LYS 1 104 16.049 25.875 -7.865 1.00 0.00 C ATOM 1686 O LYS 1 104 16.404 25.230 -8.854 1.00 0.00 O ATOM 1687 CB LYS 1 104 17.605 25.938 -5.912 1.00 0.00 C ATOM 1688 CG LYS 1 104 17.778 25.808 -4.407 1.00 0.00 C ATOM 1689 CD LYS 1 104 19.112 26.382 -3.955 1.00 0.00 C ATOM 1690 CE LYS 1 104 19.257 26.339 -2.442 1.00 0.00 C ATOM 1691 NZ LYS 1 104 20.585 26.845 -1.997 1.00 0.00 N ATOM 0 H LYS 1 104 17.313 23.497 -6.506 1.00 0.00 H new ATOM 0 HA LYS 1 104 15.465 25.632 -5.815 1.00 0.00 H new ATOM 0 HB2 LYS 1 104 18.446 25.452 -6.406 1.00 0.00 H new ATOM 0 HB3 LYS 1 104 17.644 26.994 -6.181 1.00 0.00 H new ATOM 0 HG2 LYS 1 104 16.965 26.327 -3.899 1.00 0.00 H new ATOM 0 HG3 LYS 1 104 17.715 24.758 -4.120 1.00 0.00 H new ATOM 0 HD2 LYS 1 104 19.925 25.820 -4.415 1.00 0.00 H new ATOM 0 HD3 LYS 1 104 19.201 27.412 -4.300 1.00 0.00 H new ATOM 0 HE2 LYS 1 104 18.469 26.937 -1.985 1.00 0.00 H new ATOM 0 HE3 LYS 1 104 19.123 25.315 -2.093 1.00 0.00 H new ATOM 0 HZ1 LYS 1 104 20.644 26.799 -0.960 1.00 0.00 H new ATOM 0 HZ2 LYS 1 104 21.337 26.259 -2.413 1.00 0.00 H new ATOM 0 HZ3 LYS 1 104 20.703 27.831 -2.307 1.00 0.00 H new ATOM 1705 N MET 1 105 15.439 27.082 -7.934 1.00 0.00 N ATOM 1706 CA MET 1 105 15.114 27.791 -9.200 1.00 0.00 C ATOM 1707 C MET 1 105 14.226 26.984 -10.156 1.00 0.00 C ATOM 1708 O MET 1 105 14.450 25.791 -10.384 1.00 0.00 O ATOM 1709 CB MET 1 105 16.391 28.244 -9.923 1.00 0.00 C ATOM 1710 CG MET 1 105 17.077 29.417 -9.244 1.00 0.00 C ATOM 1711 SD MET 1 105 16.164 30.959 -9.440 1.00 0.00 S ATOM 1712 CE MET 1 105 17.240 32.103 -8.579 1.00 0.00 C ATOM 0 H MET 1 105 15.154 27.599 -7.102 1.00 0.00 H new ATOM 0 HA MET 1 105 14.533 28.664 -8.901 1.00 0.00 H new ATOM 0 HB2 MET 1 105 17.087 27.407 -9.978 1.00 0.00 H new ATOM 0 HB3 MET 1 105 16.143 28.520 -10.948 1.00 0.00 H new ATOM 0 HG2 MET 1 105 17.194 29.200 -8.182 1.00 0.00 H new ATOM 0 HG3 MET 1 105 18.079 29.537 -9.657 1.00 0.00 H new ATOM 0 HE1 MET 1 105 16.809 33.104 -8.613 1.00 0.00 H new ATOM 0 HE2 MET 1 105 17.348 31.790 -7.541 1.00 0.00 H new ATOM 0 HE3 MET 1 105 18.219 32.113 -9.058 1.00 0.00 H new ATOM 1722 N VAL 1 106 13.222 27.669 -10.713 1.00 0.00 N ATOM 1723 CA VAL 1 106 12.284 27.067 -11.658 1.00 0.00 C ATOM 1724 C VAL 1 106 12.343 27.825 -12.994 1.00 0.00 C ATOM 1725 O VAL 1 106 12.591 27.228 -14.045 1.00 0.00 O ATOM 1726 CB VAL 1 106 10.824 27.060 -11.099 1.00 0.00 C ATOM 1727 CG1 VAL 1 106 9.867 26.316 -12.028 1.00 0.00 C ATOM 1728 CG2 VAL 1 106 10.766 26.449 -9.701 1.00 0.00 C ATOM 0 H VAL 1 106 13.039 28.654 -10.520 1.00 0.00 H new ATOM 0 HA VAL 1 106 12.576 26.029 -11.814 1.00 0.00 H new ATOM 0 HB VAL 1 106 10.506 28.101 -11.040 1.00 0.00 H new ATOM 0 HG11 VAL 1 106 8.863 26.333 -11.605 1.00 0.00 H new ATOM 0 HG12 VAL 1 106 9.858 26.800 -13.004 1.00 0.00 H new ATOM 0 HG13 VAL 1 106 10.197 25.283 -12.138 1.00 0.00 H new ATOM 0 HG21 VAL 1 106 9.737 26.460 -9.342 1.00 0.00 H new ATOM 0 HG22 VAL 1 106 11.127 25.421 -9.738 1.00 0.00 H new ATOM 0 HG23 VAL 1 106 11.393 27.030 -9.024 1.00 0.00 H new ATOM 1738 N THR 1 107 12.108 29.142 -12.927 1.00 0.00 N ATOM 1739 CA THR 1 107 12.135 30.010 -14.081 1.00 0.00 C ATOM 1740 C THR 1 107 13.442 30.805 -14.083 1.00 0.00 C ATOM 1741 O THR 1 107 13.627 31.728 -13.282 1.00 0.00 O ATOM 1742 CB THR 1 107 10.914 30.968 -14.095 1.00 0.00 C ATOM 1743 OG1 THR 1 107 9.740 30.276 -13.647 1.00 0.00 O ATOM 1744 CG2 THR 1 107 10.653 31.532 -15.491 1.00 0.00 C ATOM 0 H THR 1 107 11.893 29.626 -12.055 1.00 0.00 H new ATOM 0 HA THR 1 107 12.079 29.398 -14.981 1.00 0.00 H new ATOM 0 HB THR 1 107 11.143 31.796 -13.424 1.00 0.00 H new ATOM 0 HG1 THR 1 107 8.975 30.889 -13.657 1.00 0.00 H new ATOM 0 HG21 THR 1 107 9.791 32.198 -15.459 1.00 0.00 H new ATOM 0 HG22 THR 1 107 11.528 32.088 -15.828 1.00 0.00 H new ATOM 0 HG23 THR 1 107 10.454 30.713 -16.183 1.00 0.00 H new ATOM 1752 N ARG 1 108 14.339 30.421 -14.983 1.00 0.00 N ATOM 1753 CA ARG 1 108 15.649 31.066 -15.109 1.00 0.00 C ATOM 1754 C ARG 1 108 15.696 32.057 -16.273 1.00 0.00 C ATOM 1755 O ARG 1 108 16.355 33.096 -16.172 1.00 0.00 O ATOM 1756 CB ARG 1 108 16.739 30.007 -15.296 1.00 0.00 C ATOM 1757 CG ARG 1 108 17.151 29.306 -14.010 1.00 0.00 C ATOM 1758 CD ARG 1 108 18.109 28.154 -14.284 1.00 0.00 C ATOM 1759 NE ARG 1 108 17.406 26.945 -14.735 1.00 0.00 N ATOM 1760 CZ ARG 1 108 17.868 26.090 -15.659 1.00 0.00 C ATOM 1761 NH1 ARG 1 108 19.042 26.288 -16.258 1.00 0.00 N ATOM 1762 NH2 ARG 1 108 17.149 25.023 -15.980 1.00 0.00 N ATOM 0 H ARG 1 108 14.185 29.660 -15.644 1.00 0.00 H new ATOM 0 HA ARG 1 108 15.823 31.624 -14.189 1.00 0.00 H new ATOM 0 HB2 ARG 1 108 16.387 29.260 -16.007 1.00 0.00 H new ATOM 0 HB3 ARG 1 108 17.617 30.479 -15.737 1.00 0.00 H new ATOM 0 HG2 ARG 1 108 17.625 30.023 -13.339 1.00 0.00 H new ATOM 0 HG3 ARG 1 108 16.265 28.930 -13.499 1.00 0.00 H new ATOM 0 HD2 ARG 1 108 18.832 28.457 -15.042 1.00 0.00 H new ATOM 0 HD3 ARG 1 108 18.672 27.929 -13.379 1.00 0.00 H new ATOM 0 HE ARG 1 108 16.500 26.741 -14.314 1.00 0.00 H new ATOM 0 HH11 ARG 1 108 19.607 27.102 -16.016 1.00 0.00 H new ATOM 0 HH12 ARG 1 108 19.375 25.626 -16.958 1.00 0.00 H new ATOM 0 HH21 ARG 1 108 16.251 24.857 -15.525 1.00 0.00 H new ATOM 0 HH22 ARG 1 108 17.494 24.368 -16.682 1.00 0.00 H new ATOM 1776 N THR 1 109 15.000 31.737 -17.369 1.00 0.00 N ATOM 1777 CA THR 1 109 14.976 32.605 -18.552 1.00 0.00 C ATOM 1778 C THR 1 109 13.667 33.392 -18.652 1.00 0.00 C ATOM 1779 O THR 1 109 12.624 32.844 -19.027 1.00 0.00 O ATOM 1780 CB THR 1 109 15.197 31.804 -19.855 1.00 0.00 C ATOM 1781 OG1 THR 1 109 14.370 30.634 -19.864 1.00 0.00 O ATOM 1782 CG2 THR 1 109 16.659 31.403 -20.010 1.00 0.00 C ATOM 0 H THR 1 109 14.447 30.885 -17.462 1.00 0.00 H new ATOM 0 HA THR 1 109 15.799 33.309 -18.431 1.00 0.00 H new ATOM 0 HB THR 1 109 14.924 32.444 -20.694 1.00 0.00 H new ATOM 0 HG1 THR 1 109 13.456 30.878 -19.608 1.00 0.00 H new ATOM 0 HG21 THR 1 109 16.786 30.841 -20.935 1.00 0.00 H new ATOM 0 HG22 THR 1 109 17.280 32.298 -20.041 1.00 0.00 H new ATOM 0 HG23 THR 1 109 16.958 30.783 -19.165 1.00 0.00 H new ATOM 1790 N LYS 1 110 13.737 34.680 -18.297 1.00 0.00 N ATOM 1791 CA LYS 1 110 12.590 35.573 -18.347 1.00 0.00 C ATOM 1792 C LYS 1 110 12.663 36.490 -19.564 1.00 0.00 C ATOM 1793 O LYS 1 110 13.743 36.973 -19.920 1.00 0.00 O ATOM 1794 CB LYS 1 110 12.496 36.407 -17.067 1.00 0.00 C ATOM 1795 CG LYS 1 110 11.888 35.657 -15.893 1.00 0.00 C ATOM 1796 CD LYS 1 110 11.685 36.570 -14.696 1.00 0.00 C ATOM 1797 CE LYS 1 110 10.964 35.855 -13.565 1.00 0.00 C ATOM 1798 NZ LYS 1 110 10.746 36.747 -12.394 1.00 0.00 N ATOM 0 H LYS 1 110 14.593 35.126 -17.968 1.00 0.00 H new ATOM 0 HA LYS 1 110 11.694 34.958 -18.431 1.00 0.00 H new ATOM 0 HB2 LYS 1 110 13.494 36.748 -16.792 1.00 0.00 H new ATOM 0 HB3 LYS 1 110 11.899 37.297 -17.267 1.00 0.00 H new ATOM 0 HG2 LYS 1 110 10.932 35.227 -16.190 1.00 0.00 H new ATOM 0 HG3 LYS 1 110 12.538 34.828 -15.614 1.00 0.00 H new ATOM 0 HD2 LYS 1 110 12.652 36.929 -14.343 1.00 0.00 H new ATOM 0 HD3 LYS 1 110 11.111 37.446 -14.998 1.00 0.00 H new ATOM 0 HE2 LYS 1 110 10.003 35.485 -13.923 1.00 0.00 H new ATOM 0 HE3 LYS 1 110 11.545 34.986 -13.256 1.00 0.00 H new ATOM 0 HZ1 LYS 1 110 10.252 36.222 -11.645 1.00 0.00 H new ATOM 0 HZ2 LYS 1 110 11.664 37.080 -12.036 1.00 0.00 H new ATOM 0 HZ3 LYS 1 110 10.170 37.564 -12.682 1.00 0.00 H new ATOM 1812 N LYS 1 111 11.505 36.726 -20.195 1.00 0.00 N ATOM 1813 CA LYS 1 111 11.413 37.581 -21.371 1.00 0.00 C ATOM 1814 C LYS 1 111 11.154 39.040 -20.975 1.00 0.00 C ATOM 1815 O LYS 1 111 10.099 39.315 -20.363 1.00 0.00 O ATOM 1816 CB LYS 1 111 10.307 37.072 -22.314 1.00 0.00 C ATOM 1817 CG LYS 1 111 10.572 37.324 -23.800 1.00 0.00 C ATOM 1818 CD LYS 1 111 10.082 38.699 -24.243 1.00 0.00 C ATOM 1819 CE LYS 1 111 10.384 38.960 -25.714 1.00 0.00 C ATOM 1820 NZ LYS 1 111 9.554 38.115 -26.621 1.00 0.00 N ATOM 1821 OXT LYS 1 111 12.013 39.894 -21.283 1.00 0.00 O ATOM 0 H LYS 1 111 10.613 36.328 -19.901 1.00 0.00 H new ATOM 0 HA LYS 1 111 12.368 37.542 -21.896 1.00 0.00 H new ATOM 0 HB2 LYS 1 111 10.179 36.001 -22.158 1.00 0.00 H new ATOM 0 HB3 LYS 1 111 9.366 37.549 -22.040 1.00 0.00 H new ATOM 0 HG2 LYS 1 111 11.641 37.239 -23.997 1.00 0.00 H new ATOM 0 HG3 LYS 1 111 10.077 36.555 -24.392 1.00 0.00 H new ATOM 0 HD2 LYS 1 111 9.008 38.774 -24.073 1.00 0.00 H new ATOM 0 HD3 LYS 1 111 10.556 39.468 -23.633 1.00 0.00 H new ATOM 0 HE2 LYS 1 111 10.207 40.012 -25.938 1.00 0.00 H new ATOM 0 HE3 LYS 1 111 11.439 38.767 -25.906 1.00 0.00 H new ATOM 0 HZ1 LYS 1 111 9.745 38.375 -27.610 1.00 0.00 H new ATOM 0 HZ2 LYS 1 111 9.790 37.113 -26.475 1.00 0.00 H new ATOM 0 HZ3 LYS 1 111 8.547 38.267 -26.412 1.00 0.00 H new TER 1835 LYS 1 111