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 -140:sc= -1.35! USER MOD Set 1.2: 1 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 42:sc= 0.058 USER MOD Single : 1 6 SER OG : rot 180:sc= 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : 1 -3 MET N :NH3+ -109:sc= 0.0217 (180deg=0) USER MOD Single : 1 11 THR OG1 : rot -30:sc= 0.997 USER MOD Single : 1 13 ASN : amide:sc= -0.0131 K(o=-0.013,f=-0.88) 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 180:sc= 0 USER MOD Single : 1 19 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : 1 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 23 MET CE :methyl 160:sc= -0.331 (180deg=-0.621) USER MOD Single : 1 31 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : 1 32 THR OG1 : rot -50:sc= -2.44! USER MOD Single : 1 33 SER OG : rot 180:sc= 0 USER MOD Single : 1 36 SER OG : rot 180:sc= 0 USER MOD Single : 1 40 TYR OH : rot -54:sc= 0.129 USER MOD Single : 1 42 SER OG : rot -32:sc= 0.0487 USER MOD Single : 1 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 50 CYS SG : rot -153:sc= -2.32 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= 0.00358 USER MOD Single : 1 58 THR OG1 : rot -70:sc= 0.744 USER MOD Single : 1 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 61 SER OG : rot 180:sc= 0 USER MOD Single : 1 68 THR OG1 : rot 81:sc= 0.167 USER MOD Single : 1 74 SER OG : rot -163:sc= 1.28 USER MOD Single : 1 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 81 GLN :FLIP amide:sc= -0.506 F(o=-1.5,f=-0.51) USER MOD Single : 1 83 HIS : no HD1:sc= 0 X(o=0,f=-0.0036) USER MOD Single : 1 84 HIS : no HD1:sc= -0.0542 X(o=-0.054,f=-0.3) 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 -179:sc= 0 (180deg=-0.00145) USER MOD Single : 1 107 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 109 THR OG1 : rot 43:sc= 0.102 USER MOD Single : 1 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 111 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0299) USER MOD ----------------------------------------------------------------- ATOM 1 N MET 1 -3 22.916 -33.100 19.880 1.00 0.00 N ATOM 2 CA MET 1 -3 21.792 -33.287 20.833 1.00 0.00 C ATOM 3 C MET 1 -3 21.099 -34.627 20.610 1.00 0.00 C ATOM 4 O MET 1 -3 21.013 -35.109 19.477 1.00 0.00 O ATOM 5 CB MET 1 -3 20.783 -32.147 20.688 1.00 0.00 C ATOM 6 CG MET 1 -3 21.126 -30.924 21.526 1.00 0.00 C ATOM 7 SD MET 1 -3 20.068 -29.507 21.171 1.00 0.00 S ATOM 8 CE MET 1 -3 20.882 -28.821 19.729 1.00 0.00 C ATOM 0 H1 MET 1 -3 23.819 -33.171 20.390 1.00 0.00 H new ATOM 0 H2 MET 1 -3 22.875 -33.835 19.146 1.00 0.00 H new ATOM 0 H3 MET 1 -3 22.842 -32.163 19.436 1.00 0.00 H new ATOM 0 HA MET 1 -3 22.201 -33.279 21.843 1.00 0.00 H new ATOM 0 HB2 MET 1 -3 20.725 -31.855 19.640 1.00 0.00 H new ATOM 0 HB3 MET 1 -3 19.795 -32.508 20.974 1.00 0.00 H new ATOM 0 HG2 MET 1 -3 21.040 -31.179 22.582 1.00 0.00 H new ATOM 0 HG3 MET 1 -3 22.165 -30.648 21.348 1.00 0.00 H new ATOM 0 HE1 MET 1 -3 20.341 -27.936 19.392 1.00 0.00 H new ATOM 0 HE2 MET 1 -3 21.905 -28.546 19.985 1.00 0.00 H new ATOM 0 HE3 MET 1 -3 20.895 -29.563 18.931 1.00 0.00 H new ATOM 20 N HIS 1 -2 20.610 -35.217 21.705 1.00 0.00 N ATOM 21 CA HIS 1 -2 19.922 -36.508 21.656 1.00 0.00 C ATOM 22 C HIS 1 -2 18.502 -36.401 22.216 1.00 0.00 C ATOM 23 O HIS 1 -2 17.568 -36.990 21.664 1.00 0.00 O ATOM 24 CB HIS 1 -2 20.718 -37.558 22.437 1.00 0.00 C ATOM 25 CG HIS 1 -2 20.710 -38.913 21.802 1.00 0.00 C ATOM 26 ND1 HIS 1 -2 19.584 -39.707 21.732 1.00 0.00 N ATOM 27 CD2 HIS 1 -2 21.701 -39.614 21.201 1.00 0.00 C ATOM 28 CE1 HIS 1 -2 19.883 -40.837 21.117 1.00 0.00 C ATOM 29 NE2 HIS 1 -2 21.160 -40.806 20.785 1.00 0.00 N ATOM 0 H HIS 1 -2 20.679 -34.817 22.641 1.00 0.00 H new ATOM 0 HA HIS 1 -2 19.851 -36.814 20.612 1.00 0.00 H new ATOM 0 HB2 HIS 1 -2 21.749 -37.219 22.537 1.00 0.00 H new ATOM 0 HB3 HIS 1 -2 20.309 -37.636 23.444 1.00 0.00 H new ATOM 0 HD2 HIS 1 -2 22.725 -39.295 21.073 1.00 0.00 H new ATOM 0 HE1 HIS 1 -2 19.199 -41.649 20.919 1.00 0.00 H new ATOM 0 HE2 HIS 1 -2 21.664 -41.547 20.298 1.00 0.00 H new ATOM 38 N HIS 1 -1 18.353 -35.645 23.312 1.00 0.00 N ATOM 39 CA HIS 1 -1 17.054 -35.449 23.961 1.00 0.00 C ATOM 40 C HIS 1 -1 16.397 -34.149 23.496 1.00 0.00 C ATOM 41 O HIS 1 -1 17.085 -33.214 23.073 1.00 0.00 O ATOM 42 CB HIS 1 -1 17.215 -35.436 25.484 1.00 0.00 C ATOM 43 CG HIS 1 -1 17.499 -36.783 26.073 1.00 0.00 C ATOM 44 ND1 HIS 1 -1 18.772 -37.219 26.378 1.00 0.00 N ATOM 45 CD2 HIS 1 -1 16.666 -37.793 26.420 1.00 0.00 C ATOM 46 CE1 HIS 1 -1 18.709 -38.439 26.885 1.00 0.00 C ATOM 47 NE2 HIS 1 -1 17.442 -38.808 26.921 1.00 0.00 N ATOM 0 H HIS 1 -1 19.123 -35.157 23.769 1.00 0.00 H new ATOM 0 HA HIS 1 -1 16.409 -36.281 23.677 1.00 0.00 H new ATOM 0 HB2 HIS 1 -1 18.025 -34.756 25.749 1.00 0.00 H new ATOM 0 HB3 HIS 1 -1 16.305 -35.038 25.933 1.00 0.00 H new ATOM 0 HD2 HIS 1 -1 15.591 -37.799 26.321 1.00 0.00 H new ATOM 0 HE1 HIS 1 -1 19.550 -39.032 27.213 1.00 0.00 H new ATOM 0 HE2 HIS 1 -1 17.096 -39.703 27.266 1.00 0.00 H new ATOM 56 N HIS 1 0 15.062 -34.103 23.582 1.00 0.00 N ATOM 57 CA HIS 1 0 14.290 -32.927 23.174 1.00 0.00 C ATOM 58 C HIS 1 0 13.981 -32.027 24.367 1.00 0.00 C ATOM 59 O HIS 1 0 13.699 -32.516 25.466 1.00 0.00 O ATOM 60 CB HIS 1 0 12.986 -33.353 22.495 1.00 0.00 C ATOM 61 CG HIS 1 0 13.176 -33.903 21.115 1.00 0.00 C ATOM 62 ND1 HIS 1 0 13.317 -33.104 20.000 1.00 0.00 N ATOM 63 CD2 HIS 1 0 13.248 -35.181 20.671 1.00 0.00 C ATOM 64 CE1 HIS 1 0 13.465 -33.865 18.930 1.00 0.00 C ATOM 65 NE2 HIS 1 0 13.428 -35.128 19.311 1.00 0.00 N ATOM 0 H HIS 1 0 14.493 -34.873 23.933 1.00 0.00 H new ATOM 0 HA HIS 1 0 14.896 -32.362 22.465 1.00 0.00 H new ATOM 0 HB2 HIS 1 0 12.495 -34.106 23.112 1.00 0.00 H new ATOM 0 HB3 HIS 1 0 12.316 -32.495 22.445 1.00 0.00 H new ATOM 0 HD2 HIS 1 0 13.177 -36.074 21.274 1.00 0.00 H new ATOM 0 HE1 HIS 1 0 13.594 -33.514 17.917 1.00 0.00 H new ATOM 0 HE2 HIS 1 0 13.519 -35.935 18.694 1.00 0.00 H new ATOM 74 N HIS 1 1 14.038 -30.713 24.135 1.00 0.00 N ATOM 75 CA HIS 1 1 13.765 -29.721 25.176 1.00 0.00 C ATOM 76 C HIS 1 1 12.542 -28.883 24.807 1.00 0.00 C ATOM 77 O HIS 1 1 12.366 -28.513 23.642 1.00 0.00 O ATOM 78 CB HIS 1 1 14.987 -28.817 25.374 1.00 0.00 C ATOM 79 CG HIS 1 1 15.111 -28.257 26.760 1.00 0.00 C ATOM 80 ND1 HIS 1 1 15.719 -28.936 27.795 1.00 0.00 N ATOM 81 CD2 HIS 1 1 14.701 -27.074 27.278 1.00 0.00 C ATOM 82 CE1 HIS 1 1 15.678 -28.197 28.889 1.00 0.00 C ATOM 83 NE2 HIS 1 1 15.067 -27.063 28.602 1.00 0.00 N ATOM 0 H HIS 1 1 14.273 -30.310 23.228 1.00 0.00 H new ATOM 0 HA HIS 1 1 13.557 -30.243 26.110 1.00 0.00 H new ATOM 0 HB2 HIS 1 1 15.888 -29.384 25.140 1.00 0.00 H new ATOM 0 HB3 HIS 1 1 14.936 -27.993 24.663 1.00 0.00 H new ATOM 0 HD2 HIS 1 1 14.184 -26.287 26.749 1.00 0.00 H new ATOM 0 HE1 HIS 1 1 16.077 -28.474 29.854 1.00 0.00 H new ATOM 0 HE2 HIS 1 1 14.894 -26.301 29.258 1.00 0.00 H new ATOM 92 N HIS 1 2 11.704 -28.594 25.808 1.00 0.00 N ATOM 93 CA HIS 1 2 10.489 -27.804 25.601 1.00 0.00 C ATOM 94 C HIS 1 2 10.415 -26.633 26.578 1.00 0.00 C ATOM 95 O HIS 1 2 10.800 -26.762 27.744 1.00 0.00 O ATOM 96 CB HIS 1 2 9.246 -28.686 25.756 1.00 0.00 C ATOM 97 CG HIS 1 2 9.041 -29.645 24.622 1.00 0.00 C ATOM 98 ND1 HIS 1 2 8.495 -29.274 23.412 1.00 0.00 N ATOM 99 CD2 HIS 1 2 9.313 -30.968 24.520 1.00 0.00 C ATOM 100 CE1 HIS 1 2 8.439 -30.326 22.614 1.00 0.00 C ATOM 101 NE2 HIS 1 2 8.930 -31.365 23.263 1.00 0.00 N ATOM 0 H HIS 1 2 11.847 -28.897 26.771 1.00 0.00 H new ATOM 0 HA HIS 1 2 10.523 -27.404 24.588 1.00 0.00 H new ATOM 0 HB2 HIS 1 2 9.325 -29.249 26.686 1.00 0.00 H new ATOM 0 HB3 HIS 1 2 8.367 -28.047 25.843 1.00 0.00 H new ATOM 0 HD2 HIS 1 2 9.750 -31.593 25.285 1.00 0.00 H new ATOM 0 HE1 HIS 1 2 8.057 -30.334 21.604 1.00 0.00 H new ATOM 0 HE2 HIS 1 2 9.012 -32.311 22.890 1.00 0.00 H new ATOM 110 N HIS 1 3 9.919 -25.495 26.082 1.00 0.00 N ATOM 111 CA HIS 1 3 9.777 -24.282 26.890 1.00 0.00 C ATOM 112 C HIS 1 3 8.322 -24.076 27.313 1.00 0.00 C ATOM 113 O HIS 1 3 7.399 -24.543 26.638 1.00 0.00 O ATOM 114 CB HIS 1 3 10.274 -23.063 26.110 1.00 0.00 C ATOM 115 CG HIS 1 3 11.767 -22.944 26.073 1.00 0.00 C ATOM 116 ND1 HIS 1 3 12.537 -23.430 25.035 1.00 0.00 N ATOM 117 CD2 HIS 1 3 12.633 -22.385 26.951 1.00 0.00 C ATOM 118 CE1 HIS 1 3 13.811 -23.176 25.279 1.00 0.00 C ATOM 119 NE2 HIS 1 3 13.894 -22.542 26.435 1.00 0.00 N ATOM 0 H HIS 1 3 9.607 -25.390 25.117 1.00 0.00 H new ATOM 0 HA HIS 1 3 10.383 -24.400 27.788 1.00 0.00 H new ATOM 0 HB2 HIS 1 3 9.897 -23.117 25.089 1.00 0.00 H new ATOM 0 HB3 HIS 1 3 9.857 -22.161 26.557 1.00 0.00 H new ATOM 0 HD2 HIS 1 3 12.378 -21.905 27.884 1.00 0.00 H new ATOM 0 HE1 HIS 1 3 14.642 -23.441 24.642 1.00 0.00 H new ATOM 0 HE2 HIS 1 3 14.757 -22.221 26.873 1.00 0.00 H new ATOM 128 N SER 1 4 8.133 -23.372 28.436 1.00 0.00 N ATOM 129 CA SER 1 4 6.797 -23.097 28.973 1.00 0.00 C ATOM 130 C SER 1 4 6.444 -21.610 28.894 1.00 0.00 C ATOM 131 O SER 1 4 5.273 -21.257 28.722 1.00 0.00 O ATOM 132 CB SER 1 4 6.707 -23.573 30.424 1.00 0.00 C ATOM 133 OG SER 1 4 6.929 -24.970 30.516 1.00 0.00 O ATOM 0 H SER 1 4 8.894 -22.981 28.992 1.00 0.00 H new ATOM 0 HA SER 1 4 6.079 -23.643 28.361 1.00 0.00 H new ATOM 0 HB2 SER 1 4 7.442 -23.044 31.030 1.00 0.00 H new ATOM 0 HB3 SER 1 4 5.725 -23.330 30.830 1.00 0.00 H new ATOM 0 HG SER 1 4 6.868 -25.250 31.453 1.00 0.00 H new ATOM 139 N THR 1 5 7.461 -20.743 29.027 1.00 0.00 N ATOM 140 CA THR 1 5 7.282 -19.300 28.977 1.00 0.00 C ATOM 141 C THR 1 5 7.241 -18.780 27.538 1.00 0.00 C ATOM 142 O THR 1 5 8.220 -18.906 26.793 1.00 0.00 O ATOM 143 CB THR 1 5 8.416 -18.598 29.742 1.00 0.00 C ATOM 144 OG1 THR 1 5 9.672 -19.231 29.464 1.00 0.00 O ATOM 145 CG2 THR 1 5 8.154 -18.609 31.241 1.00 0.00 C ATOM 0 H THR 1 5 8.428 -21.033 29.172 1.00 0.00 H new ATOM 0 HA THR 1 5 6.324 -19.075 29.446 1.00 0.00 H new ATOM 0 HB THR 1 5 8.455 -17.562 29.406 1.00 0.00 H new ATOM 0 HG1 THR 1 5 9.727 -19.443 28.509 1.00 0.00 H new ATOM 0 HG21 THR 1 5 8.972 -18.106 31.757 1.00 0.00 H new ATOM 0 HG22 THR 1 5 7.219 -18.090 31.451 1.00 0.00 H new ATOM 0 HG23 THR 1 5 8.084 -19.639 31.590 1.00 0.00 H new ATOM 153 N SER 1 6 6.093 -18.204 27.159 1.00 0.00 N ATOM 154 CA SER 1 6 5.892 -17.659 25.812 1.00 0.00 C ATOM 155 C SER 1 6 5.212 -16.292 25.865 1.00 0.00 C ATOM 156 O SER 1 6 4.275 -16.088 26.642 1.00 0.00 O ATOM 157 CB SER 1 6 5.049 -18.619 24.968 1.00 0.00 C ATOM 158 OG SER 1 6 5.671 -19.889 24.867 1.00 0.00 O ATOM 0 H SER 1 6 5.284 -18.103 27.772 1.00 0.00 H new ATOM 0 HA SER 1 6 6.873 -17.540 25.353 1.00 0.00 H new ATOM 0 HB2 SER 1 6 4.061 -18.729 25.414 1.00 0.00 H new ATOM 0 HB3 SER 1 6 4.904 -18.201 23.972 1.00 0.00 H new ATOM 0 HG SER 1 6 5.113 -20.485 24.325 1.00 0.00 H new ATOM 164 N VAL 1 7 5.698 -15.364 25.029 1.00 0.00 N ATOM 165 CA VAL 1 7 5.147 -14.002 24.953 1.00 0.00 C ATOM 166 C VAL 1 7 4.014 -13.954 23.917 1.00 0.00 C ATOM 167 O VAL 1 7 4.086 -14.624 22.882 1.00 0.00 O ATOM 168 CB VAL 1 7 6.240 -12.948 24.586 1.00 0.00 C ATOM 169 CG1 VAL 1 7 5.742 -11.521 24.819 1.00 0.00 C ATOM 170 CG2 VAL 1 7 7.527 -13.178 25.373 1.00 0.00 C ATOM 0 H VAL 1 7 6.476 -15.533 24.392 1.00 0.00 H new ATOM 0 HA VAL 1 7 4.760 -13.749 25.940 1.00 0.00 H new ATOM 0 HB VAL 1 7 6.454 -13.075 23.525 1.00 0.00 H new ATOM 0 HG11 VAL 1 7 6.528 -10.814 24.554 1.00 0.00 H new ATOM 0 HG12 VAL 1 7 4.864 -11.337 24.201 1.00 0.00 H new ATOM 0 HG13 VAL 1 7 5.479 -11.394 25.869 1.00 0.00 H new ATOM 0 HG21 VAL 1 7 8.265 -12.426 25.092 1.00 0.00 H new ATOM 0 HG22 VAL 1 7 7.319 -13.101 26.440 1.00 0.00 H new ATOM 0 HG23 VAL 1 7 7.918 -14.171 25.150 1.00 0.00 H new ATOM 180 N ASP 1 8 2.980 -13.157 24.208 1.00 0.00 N ATOM 181 CA ASP 1 8 1.824 -13.022 23.314 1.00 0.00 C ATOM 182 C ASP 1 8 1.822 -11.672 22.594 1.00 0.00 C ATOM 183 O ASP 1 8 1.581 -11.614 21.385 1.00 0.00 O ATOM 184 CB ASP 1 8 0.517 -13.203 24.096 1.00 0.00 C ATOM 185 CG ASP 1 8 0.301 -14.634 24.549 1.00 0.00 C ATOM 186 OD1 ASP 1 8 -0.143 -15.458 23.722 1.00 0.00 O ATOM 187 OD2 ASP 1 8 0.575 -14.930 25.731 1.00 0.00 O ATOM 0 H ASP 1 8 2.920 -12.595 25.057 1.00 0.00 H new ATOM 0 HA ASP 1 8 1.901 -13.805 22.559 1.00 0.00 H new ATOM 0 HB2 ASP 1 8 0.525 -12.548 24.967 1.00 0.00 H new ATOM 0 HB3 ASP 1 8 -0.321 -12.893 23.472 1.00 0.00 H new ATOM 192 N LEU 1 9 2.100 -10.591 23.342 1.00 0.00 N ATOM 193 CA LEU 1 9 2.122 -9.233 22.783 1.00 0.00 C ATOM 194 C LEU 1 9 3.473 -8.916 22.140 1.00 0.00 C ATOM 195 O LEU 1 9 4.510 -9.421 22.582 1.00 0.00 O ATOM 196 CB LEU 1 9 1.814 -8.205 23.876 1.00 0.00 C ATOM 197 CG LEU 1 9 0.956 -7.016 23.429 1.00 0.00 C ATOM 198 CD1 LEU 1 9 -0.522 -7.301 23.663 1.00 0.00 C ATOM 199 CD2 LEU 1 9 1.378 -5.749 24.155 1.00 0.00 C ATOM 0 H LEU 1 9 2.313 -10.634 24.339 1.00 0.00 H new ATOM 0 HA LEU 1 9 1.356 -9.180 22.009 1.00 0.00 H new ATOM 0 HB2 LEU 1 9 1.306 -8.712 24.696 1.00 0.00 H new ATOM 0 HB3 LEU 1 9 2.756 -7.825 24.271 1.00 0.00 H new ATOM 0 HG LEU 1 9 1.110 -6.866 22.360 1.00 0.00 H new ATOM 0 HD11 LEU 1 9 -1.113 -6.445 23.339 1.00 0.00 H new ATOM 0 HD12 LEU 1 9 -0.817 -8.182 23.093 1.00 0.00 H new ATOM 0 HD13 LEU 1 9 -0.694 -7.480 24.724 1.00 0.00 H new ATOM 0 HD21 LEU 1 9 0.757 -4.916 23.824 1.00 0.00 H new ATOM 0 HD22 LEU 1 9 1.257 -5.888 25.229 1.00 0.00 H new ATOM 0 HD23 LEU 1 9 2.423 -5.533 23.933 1.00 0.00 H new ATOM 211 N GLY 1 10 3.443 -8.080 21.098 1.00 0.00 N ATOM 212 CA GLY 1 10 4.660 -7.696 20.396 1.00 0.00 C ATOM 213 C GLY 1 10 4.580 -6.298 19.816 1.00 0.00 C ATOM 214 O GLY 1 10 4.469 -6.134 18.597 1.00 0.00 O ATOM 0 H GLY 1 10 2.591 -7.660 20.727 1.00 0.00 H new ATOM 0 HA2 GLY 1 10 5.505 -7.753 21.082 1.00 0.00 H new ATOM 0 HA3 GLY 1 10 4.853 -8.408 19.594 1.00 0.00 H new ATOM 218 N THR 1 11 4.632 -5.293 20.696 1.00 0.00 N ATOM 219 CA THR 1 11 4.569 -3.880 20.291 1.00 0.00 C ATOM 220 C THR 1 11 5.384 -2.982 21.250 1.00 0.00 C ATOM 221 O THR 1 11 5.264 -1.752 21.217 1.00 0.00 O ATOM 222 CB THR 1 11 3.089 -3.378 20.178 1.00 0.00 C ATOM 223 OG1 THR 1 11 3.056 -2.010 19.747 1.00 0.00 O ATOM 224 CG2 THR 1 11 2.314 -3.513 21.494 1.00 0.00 C ATOM 0 H THR 1 11 4.718 -5.431 21.703 1.00 0.00 H new ATOM 0 HA THR 1 11 5.019 -3.809 19.301 1.00 0.00 H new ATOM 0 HB THR 1 11 2.602 -4.016 19.441 1.00 0.00 H new ATOM 0 HG1 THR 1 11 3.864 -1.550 20.056 1.00 0.00 H new ATOM 0 HG21 THR 1 11 1.296 -3.150 21.355 1.00 0.00 H new ATOM 0 HG22 THR 1 11 2.288 -4.560 21.795 1.00 0.00 H new ATOM 0 HG23 THR 1 11 2.807 -2.925 22.268 1.00 0.00 H new ATOM 232 N GLU 1 12 6.216 -3.615 22.088 1.00 0.00 N ATOM 233 CA GLU 1 12 7.041 -2.901 23.062 1.00 0.00 C ATOM 234 C GLU 1 12 8.496 -2.808 22.595 1.00 0.00 C ATOM 235 O GLU 1 12 9.062 -1.714 22.503 1.00 0.00 O ATOM 236 CB GLU 1 12 6.931 -3.597 24.435 1.00 0.00 C ATOM 237 CG GLU 1 12 7.657 -2.883 25.568 1.00 0.00 C ATOM 238 CD GLU 1 12 7.413 -3.528 26.919 1.00 0.00 C ATOM 239 OE1 GLU 1 12 8.205 -4.414 27.304 1.00 0.00 O ATOM 240 OE2 GLU 1 12 6.433 -3.145 27.591 1.00 0.00 O ATOM 0 H GLU 1 12 6.333 -4.628 22.108 1.00 0.00 H new ATOM 0 HA GLU 1 12 6.674 -1.879 23.157 1.00 0.00 H new ATOM 0 HB2 GLU 1 12 5.877 -3.689 24.698 1.00 0.00 H new ATOM 0 HB3 GLU 1 12 7.327 -4.609 24.348 1.00 0.00 H new ATOM 0 HG2 GLU 1 12 8.727 -2.877 25.361 1.00 0.00 H new ATOM 0 HG3 GLU 1 12 7.333 -1.843 25.603 1.00 0.00 H new ATOM 247 N ASN 1 13 9.077 -3.967 22.316 1.00 0.00 N ATOM 248 CA ASN 1 13 10.456 -4.091 21.861 1.00 0.00 C ATOM 249 C ASN 1 13 10.606 -3.723 20.376 1.00 0.00 C ATOM 250 O ASN 1 13 11.544 -3.012 20.004 1.00 0.00 O ATOM 251 CB ASN 1 13 10.912 -5.529 22.113 1.00 0.00 C ATOM 252 CG ASN 1 13 12.388 -5.692 22.227 1.00 0.00 C ATOM 253 OD1 ASN 1 13 13.123 -4.807 22.669 1.00 0.00 O ATOM 254 ND2 ASN 1 13 12.821 -6.855 21.821 1.00 0.00 N ATOM 0 H ASN 1 13 8.596 -4.862 22.401 1.00 0.00 H new ATOM 0 HA ASN 1 13 11.081 -3.392 22.416 1.00 0.00 H new ATOM 0 HB2 ASN 1 13 10.446 -5.890 23.030 1.00 0.00 H new ATOM 0 HB3 ASN 1 13 10.550 -6.160 21.302 1.00 0.00 H new ATOM 0 HD21 ASN 1 13 13.817 -7.070 21.860 1.00 0.00 H new ATOM 0 HD22 ASN 1 13 12.163 -7.548 21.465 1.00 0.00 H new ATOM 261 N LEU 1 14 9.676 -4.214 19.544 1.00 0.00 N ATOM 262 CA LEU 1 14 9.689 -3.943 18.099 1.00 0.00 C ATOM 263 C LEU 1 14 9.041 -2.588 17.779 1.00 0.00 C ATOM 264 O LEU 1 14 8.229 -2.083 18.560 1.00 0.00 O ATOM 265 CB LEU 1 14 8.991 -5.084 17.326 1.00 0.00 C ATOM 266 CG LEU 1 14 7.545 -5.411 17.738 1.00 0.00 C ATOM 267 CD1 LEU 1 14 6.554 -4.642 16.876 1.00 0.00 C ATOM 268 CD2 LEU 1 14 7.289 -6.907 17.641 1.00 0.00 C ATOM 0 H LEU 1 14 8.902 -4.804 19.849 1.00 0.00 H new ATOM 0 HA LEU 1 14 10.729 -3.895 17.776 1.00 0.00 H new ATOM 0 HB2 LEU 1 14 8.994 -4.829 16.266 1.00 0.00 H new ATOM 0 HB3 LEU 1 14 9.590 -5.988 17.438 1.00 0.00 H new ATOM 0 HG LEU 1 14 7.406 -5.104 18.775 1.00 0.00 H new ATOM 0 HD11 LEU 1 14 5.537 -4.887 17.183 1.00 0.00 H new ATOM 0 HD12 LEU 1 14 6.721 -3.572 16.996 1.00 0.00 H new ATOM 0 HD13 LEU 1 14 6.693 -4.916 15.830 1.00 0.00 H new ATOM 0 HD21 LEU 1 14 6.262 -7.120 17.936 1.00 0.00 H new ATOM 0 HD22 LEU 1 14 7.448 -7.238 16.615 1.00 0.00 H new ATOM 0 HD23 LEU 1 14 7.974 -7.437 18.303 1.00 0.00 H new ATOM 280 N TYR 1 15 9.393 -2.025 16.614 1.00 0.00 N ATOM 281 CA TYR 1 15 8.863 -0.727 16.169 1.00 0.00 C ATOM 282 C TYR 1 15 7.426 -0.859 15.652 1.00 0.00 C ATOM 283 O TYR 1 15 7.019 -1.936 15.208 1.00 0.00 O ATOM 284 CB TYR 1 15 9.763 -0.134 15.077 1.00 0.00 C ATOM 285 CG TYR 1 15 11.108 0.332 15.591 1.00 0.00 C ATOM 286 CD1 TYR 1 15 12.186 -0.542 15.670 1.00 0.00 C ATOM 287 CD2 TYR 1 15 11.296 1.644 16.007 1.00 0.00 C ATOM 288 CE1 TYR 1 15 13.412 -0.122 16.150 1.00 0.00 C ATOM 289 CE2 TYR 1 15 12.521 2.073 16.485 1.00 0.00 C ATOM 290 CZ TYR 1 15 13.574 1.185 16.556 1.00 0.00 C ATOM 291 OH TYR 1 15 14.794 1.607 17.034 1.00 0.00 O ATOM 0 H TYR 1 15 10.047 -2.452 15.958 1.00 0.00 H new ATOM 0 HA TYR 1 15 8.852 -0.057 17.029 1.00 0.00 H new ATOM 0 HB2 TYR 1 15 9.919 -0.882 14.300 1.00 0.00 H new ATOM 0 HB3 TYR 1 15 9.250 0.707 14.611 1.00 0.00 H new ATOM 0 HD1 TYR 1 15 12.063 -1.566 15.351 1.00 0.00 H new ATOM 0 HD2 TYR 1 15 10.472 2.340 15.956 1.00 0.00 H new ATOM 0 HE1 TYR 1 15 14.239 -0.814 16.207 1.00 0.00 H new ATOM 0 HE2 TYR 1 15 12.652 3.097 16.801 1.00 0.00 H new ATOM 0 HH TYR 1 15 14.740 2.555 17.276 1.00 0.00 H new ATOM 301 N PHE 1 16 6.659 0.237 15.747 1.00 0.00 N ATOM 302 CA PHE 1 16 5.268 0.270 15.298 1.00 0.00 C ATOM 303 C PHE 1 16 4.931 1.598 14.603 1.00 0.00 C ATOM 304 O PHE 1 16 3.842 1.748 14.040 1.00 0.00 O ATOM 305 CB PHE 1 16 4.315 0.032 16.483 1.00 0.00 C ATOM 306 CG PHE 1 16 3.033 -0.649 16.095 1.00 0.00 C ATOM 307 CD1 PHE 1 16 1.933 0.091 15.693 1.00 0.00 C ATOM 308 CD2 PHE 1 16 2.934 -2.031 16.118 1.00 0.00 C ATOM 309 CE1 PHE 1 16 0.758 -0.534 15.322 1.00 0.00 C ATOM 310 CE2 PHE 1 16 1.761 -2.662 15.750 1.00 0.00 C ATOM 311 CZ PHE 1 16 0.671 -1.912 15.350 1.00 0.00 C ATOM 0 H PHE 1 16 6.988 1.120 16.137 1.00 0.00 H new ATOM 0 HA PHE 1 16 5.136 -0.531 14.570 1.00 0.00 H new ATOM 0 HB2 PHE 1 16 4.825 -0.572 17.233 1.00 0.00 H new ATOM 0 HB3 PHE 1 16 4.082 0.989 16.949 1.00 0.00 H new ATOM 0 HD1 PHE 1 16 1.995 1.169 15.669 1.00 0.00 H new ATOM 0 HD2 PHE 1 16 3.784 -2.622 16.427 1.00 0.00 H new ATOM 0 HE1 PHE 1 16 -0.092 0.055 15.010 1.00 0.00 H new ATOM 0 HE2 PHE 1 16 1.696 -3.740 15.775 1.00 0.00 H new ATOM 0 HZ PHE 1 16 -0.246 -2.402 15.060 1.00 0.00 H new ATOM 321 N GLN 1 17 5.881 2.545 14.629 1.00 0.00 N ATOM 322 CA GLN 1 17 5.698 3.864 14.005 1.00 0.00 C ATOM 323 C GLN 1 17 6.102 3.859 12.522 1.00 0.00 C ATOM 324 O GLN 1 17 5.906 4.855 11.817 1.00 0.00 O ATOM 325 CB GLN 1 17 6.515 4.919 14.763 1.00 0.00 C ATOM 326 CG GLN 1 17 5.945 5.283 16.131 1.00 0.00 C ATOM 327 CD GLN 1 17 4.852 6.335 16.052 1.00 0.00 C ATOM 328 OE1 GLN 1 17 5.123 7.533 16.135 1.00 0.00 O ATOM 329 NE2 GLN 1 17 3.612 5.891 15.889 1.00 0.00 N ATOM 0 H GLN 1 17 6.788 2.420 15.078 1.00 0.00 H new ATOM 0 HA GLN 1 17 4.637 4.109 14.059 1.00 0.00 H new ATOM 0 HB2 GLN 1 17 7.533 4.551 14.892 1.00 0.00 H new ATOM 0 HB3 GLN 1 17 6.576 5.822 14.155 1.00 0.00 H new ATOM 0 HG2 GLN 1 17 5.546 4.386 16.604 1.00 0.00 H new ATOM 0 HG3 GLN 1 17 6.749 5.649 16.769 1.00 0.00 H new ATOM 0 HE21 GLN 1 17 3.433 4.889 15.825 1.00 0.00 H new ATOM 0 HE22 GLN 1 17 2.838 6.552 15.828 1.00 0.00 H new ATOM 338 N SER 1 18 6.651 2.725 12.057 1.00 0.00 N ATOM 339 CA SER 1 18 7.089 2.573 10.663 1.00 0.00 C ATOM 340 C SER 1 18 5.925 2.181 9.749 1.00 0.00 C ATOM 341 O SER 1 18 4.960 1.553 10.195 1.00 0.00 O ATOM 342 CB SER 1 18 8.204 1.528 10.573 1.00 0.00 C ATOM 343 OG SER 1 18 7.804 0.297 11.150 1.00 0.00 O ATOM 0 H SER 1 18 6.802 1.896 12.632 1.00 0.00 H new ATOM 0 HA SER 1 18 7.470 3.537 10.325 1.00 0.00 H new ATOM 0 HB2 SER 1 18 8.475 1.372 9.529 1.00 0.00 H new ATOM 0 HB3 SER 1 18 9.094 1.898 11.082 1.00 0.00 H new ATOM 0 HG SER 1 18 8.535 -0.352 11.077 1.00 0.00 H new ATOM 349 N ASN 1 19 6.032 2.563 8.471 1.00 0.00 N ATOM 350 CA ASN 1 19 4.998 2.266 7.474 1.00 0.00 C ATOM 351 C ASN 1 19 5.545 1.397 6.336 1.00 0.00 C ATOM 352 O ASN 1 19 4.808 0.598 5.752 1.00 0.00 O ATOM 353 CB ASN 1 19 4.421 3.567 6.903 1.00 0.00 C ATOM 354 CG ASN 1 19 3.583 4.334 7.879 1.00 0.00 C ATOM 355 OD1 ASN 1 19 2.869 3.774 8.714 1.00 0.00 O ATOM 356 ND2 ASN 1 19 3.676 5.639 7.764 1.00 0.00 N ATOM 0 H ASN 1 19 6.829 3.081 8.102 1.00 0.00 H new ATOM 0 HA ASN 1 19 4.207 1.708 7.976 1.00 0.00 H new ATOM 0 HB2 ASN 1 19 5.241 4.201 6.566 1.00 0.00 H new ATOM 0 HB3 ASN 1 19 3.818 3.332 6.026 1.00 0.00 H new ATOM 0 HD21 ASN 1 19 3.140 6.245 8.385 1.00 0.00 H new ATOM 0 HD22 ASN 1 19 4.284 6.046 7.053 1.00 0.00 H new ATOM 363 N ALA 1 20 6.844 1.557 6.039 1.00 0.00 N ATOM 364 CA ALA 1 20 7.515 0.808 4.972 1.00 0.00 C ATOM 365 C ALA 1 20 7.863 -0.614 5.414 1.00 0.00 C ATOM 366 O ALA 1 20 8.118 -0.861 6.597 1.00 0.00 O ATOM 367 CB ALA 1 20 8.771 1.542 4.526 1.00 0.00 C ATOM 0 H ALA 1 20 7.455 2.208 6.532 1.00 0.00 H new ATOM 0 HA ALA 1 20 6.824 0.734 4.132 1.00 0.00 H new ATOM 0 HB1 ALA 1 20 9.261 0.976 3.733 1.00 0.00 H new ATOM 0 HB2 ALA 1 20 8.502 2.530 4.153 1.00 0.00 H new ATOM 0 HB3 ALA 1 20 9.451 1.646 5.371 1.00 0.00 H new ATOM 373 N GLY 1 21 7.865 -1.532 4.447 1.00 0.00 N ATOM 374 CA GLY 1 21 8.170 -2.930 4.721 1.00 0.00 C ATOM 375 C GLY 1 21 7.227 -3.877 4.012 1.00 0.00 C ATOM 376 O GLY 1 21 7.520 -5.069 3.878 1.00 0.00 O ATOM 0 H GLY 1 21 7.659 -1.329 3.469 1.00 0.00 H new ATOM 0 HA2 GLY 1 21 9.194 -3.143 4.413 1.00 0.00 H new ATOM 0 HA3 GLY 1 21 8.118 -3.106 5.795 1.00 0.00 H new ATOM 380 N LYS 1 22 6.096 -3.336 3.559 1.00 0.00 N ATOM 381 CA LYS 1 22 5.084 -4.118 2.847 1.00 0.00 C ATOM 382 C LYS 1 22 5.216 -3.932 1.328 1.00 0.00 C ATOM 383 O LYS 1 22 6.011 -3.105 0.866 1.00 0.00 O ATOM 384 CB LYS 1 22 3.668 -3.772 3.353 1.00 0.00 C ATOM 385 CG LYS 1 22 3.247 -2.322 3.159 1.00 0.00 C ATOM 386 CD LYS 1 22 2.374 -1.849 4.307 1.00 0.00 C ATOM 387 CE LYS 1 22 1.838 -0.450 4.062 1.00 0.00 C ATOM 388 NZ LYS 1 22 0.666 -0.456 3.144 1.00 0.00 N ATOM 0 H LYS 1 22 5.856 -2.351 3.674 1.00 0.00 H new ATOM 0 HA LYS 1 22 5.253 -5.174 3.057 1.00 0.00 H new ATOM 0 HB2 LYS 1 22 2.950 -4.414 2.842 1.00 0.00 H new ATOM 0 HB3 LYS 1 22 3.610 -4.011 4.415 1.00 0.00 H new ATOM 0 HG2 LYS 1 22 4.132 -1.690 3.086 1.00 0.00 H new ATOM 0 HG3 LYS 1 22 2.704 -2.220 2.219 1.00 0.00 H new ATOM 0 HD2 LYS 1 22 1.542 -2.540 4.440 1.00 0.00 H new ATOM 0 HD3 LYS 1 22 2.950 -1.862 5.232 1.00 0.00 H new ATOM 0 HE2 LYS 1 22 1.552 0.001 5.012 1.00 0.00 H new ATOM 0 HE3 LYS 1 22 2.627 0.172 3.639 1.00 0.00 H new ATOM 0 HZ1 LYS 1 22 0.331 0.518 3.003 1.00 0.00 H new ATOM 0 HZ2 LYS 1 22 0.945 -0.862 2.228 1.00 0.00 H new ATOM 0 HZ3 LYS 1 22 -0.097 -1.028 3.559 1.00 0.00 H new ATOM 402 N MET 1 23 4.430 -4.699 0.567 1.00 0.00 N ATOM 403 CA MET 1 23 4.450 -4.661 -0.863 1.00 0.00 C ATOM 404 C MET 1 23 3.103 -4.205 -1.418 1.00 0.00 C ATOM 405 O MET 1 23 2.054 -4.361 -0.794 1.00 0.00 O ATOM 406 CB MET 1 23 4.825 -6.037 -1.406 1.00 0.00 C ATOM 407 CG MET 1 23 6.329 -6.253 -1.540 1.00 0.00 C ATOM 408 SD MET 1 23 6.750 -7.684 -2.555 1.00 0.00 S ATOM 409 CE MET 1 23 7.214 -6.892 -4.098 1.00 0.00 C ATOM 0 H MET 1 23 3.760 -5.366 0.950 1.00 0.00 H new ATOM 0 HA MET 1 23 5.198 -3.937 -1.185 1.00 0.00 H new ATOM 0 HB2 MET 1 23 4.414 -6.802 -0.748 1.00 0.00 H new ATOM 0 HB3 MET 1 23 4.359 -6.172 -2.382 1.00 0.00 H new ATOM 0 HG2 MET 1 23 6.781 -5.361 -1.974 1.00 0.00 H new ATOM 0 HG3 MET 1 23 6.762 -6.379 -0.548 1.00 0.00 H new ATOM 0 HE1 MET 1 23 7.821 -7.577 -4.690 1.00 0.00 H new ATOM 0 HE2 MET 1 23 6.316 -6.629 -4.656 1.00 0.00 H new ATOM 0 HE3 MET 1 23 7.787 -5.989 -3.886 1.00 0.00 H new ATOM 419 N PHE 1 24 3.204 -3.616 -2.586 1.00 0.00 N ATOM 420 CA PHE 1 24 2.107 -3.068 -3.371 1.00 0.00 C ATOM 421 C PHE 1 24 1.851 -4.024 -4.549 1.00 0.00 C ATOM 422 O PHE 1 24 2.636 -4.072 -5.504 1.00 0.00 O ATOM 423 CB PHE 1 24 2.525 -1.664 -3.880 1.00 0.00 C ATOM 424 CG PHE 1 24 1.447 -0.785 -4.499 1.00 0.00 C ATOM 425 CD1 PHE 1 24 0.195 -1.274 -4.853 1.00 0.00 C ATOM 426 CD2 PHE 1 24 1.713 0.558 -4.727 1.00 0.00 C ATOM 427 CE1 PHE 1 24 -0.756 -0.447 -5.412 1.00 0.00 C ATOM 428 CE2 PHE 1 24 0.762 1.388 -5.287 1.00 0.00 C ATOM 429 CZ PHE 1 24 -0.474 0.885 -5.630 1.00 0.00 C ATOM 0 H PHE 1 24 4.106 -3.496 -3.047 1.00 0.00 H new ATOM 0 HA PHE 1 24 1.196 -2.970 -2.781 1.00 0.00 H new ATOM 0 HB2 PHE 1 24 2.961 -1.120 -3.042 1.00 0.00 H new ATOM 0 HB3 PHE 1 24 3.315 -1.797 -4.619 1.00 0.00 H new ATOM 0 HD1 PHE 1 24 -0.036 -2.316 -4.688 1.00 0.00 H new ATOM 0 HD2 PHE 1 24 2.680 0.960 -4.462 1.00 0.00 H new ATOM 0 HE1 PHE 1 24 -1.724 -0.843 -5.680 1.00 0.00 H new ATOM 0 HE2 PHE 1 24 0.987 2.431 -5.456 1.00 0.00 H new ATOM 0 HZ PHE 1 24 -1.220 1.532 -6.068 1.00 0.00 H new ATOM 439 N ILE 1 25 0.769 -4.793 -4.459 1.00 0.00 N ATOM 440 CA ILE 1 25 0.399 -5.764 -5.473 1.00 0.00 C ATOM 441 C ILE 1 25 -0.596 -5.148 -6.450 1.00 0.00 C ATOM 442 O ILE 1 25 -1.702 -4.762 -6.069 1.00 0.00 O ATOM 443 CB ILE 1 25 -0.205 -7.023 -4.823 1.00 0.00 C ATOM 444 CG1 ILE 1 25 0.336 -7.240 -3.378 1.00 0.00 C ATOM 445 CG2 ILE 1 25 0.007 -8.260 -5.706 1.00 0.00 C ATOM 446 CD1 ILE 1 25 1.817 -7.598 -3.255 1.00 0.00 C ATOM 0 H ILE 1 25 0.122 -4.756 -3.672 1.00 0.00 H new ATOM 0 HA ILE 1 25 1.297 -6.054 -6.018 1.00 0.00 H new ATOM 0 HB ILE 1 25 -1.280 -6.866 -4.737 1.00 0.00 H new ATOM 0 HG12 ILE 1 25 0.155 -6.330 -2.805 1.00 0.00 H new ATOM 0 HG13 ILE 1 25 -0.247 -8.033 -2.910 1.00 0.00 H new ATOM 0 HG21 ILE 1 25 -0.430 -9.133 -5.221 1.00 0.00 H new ATOM 0 HG22 ILE 1 25 -0.473 -8.104 -6.672 1.00 0.00 H new ATOM 0 HG23 ILE 1 25 1.075 -8.423 -5.853 1.00 0.00 H new ATOM 0 HD11 ILE 1 25 2.075 -7.724 -2.203 1.00 0.00 H new ATOM 0 HD12 ILE 1 25 2.012 -8.527 -3.790 1.00 0.00 H new ATOM 0 HD13 ILE 1 25 2.421 -6.799 -3.684 1.00 0.00 H new ATOM 458 N GLY 1 26 -0.171 -5.056 -7.701 1.00 0.00 N ATOM 459 CA GLY 1 26 -0.983 -4.471 -8.742 1.00 0.00 C ATOM 460 C GLY 1 26 -1.537 -5.450 -9.745 1.00 0.00 C ATOM 461 O GLY 1 26 -1.059 -6.574 -9.860 1.00 0.00 O ATOM 0 H GLY 1 26 0.742 -5.384 -8.016 1.00 0.00 H new ATOM 0 HA2 GLY 1 26 -1.814 -3.940 -8.278 1.00 0.00 H new ATOM 0 HA3 GLY 1 26 -0.387 -3.729 -9.273 1.00 0.00 H new ATOM 465 N GLY 1 27 -2.596 -5.007 -10.431 1.00 0.00 N ATOM 466 CA GLY 1 27 -3.244 -5.791 -11.482 1.00 0.00 C ATOM 467 C GLY 1 27 -4.051 -6.989 -10.999 1.00 0.00 C ATOM 468 O GLY 1 27 -4.312 -7.897 -11.790 1.00 0.00 O ATOM 0 H GLY 1 27 -3.026 -4.096 -10.272 1.00 0.00 H new ATOM 0 HA2 GLY 1 27 -3.904 -5.134 -12.048 1.00 0.00 H new ATOM 0 HA3 GLY 1 27 -2.478 -6.145 -12.173 1.00 0.00 H new ATOM 472 N LEU 1 28 -4.472 -6.990 -9.718 1.00 0.00 N ATOM 473 CA LEU 1 28 -5.251 -8.093 -9.139 1.00 0.00 C ATOM 474 C LEU 1 28 -6.543 -8.334 -9.942 1.00 0.00 C ATOM 475 O LEU 1 28 -6.916 -7.510 -10.785 1.00 0.00 O ATOM 476 CB LEU 1 28 -5.611 -7.785 -7.671 1.00 0.00 C ATOM 477 CG LEU 1 28 -4.441 -7.435 -6.738 1.00 0.00 C ATOM 478 CD1 LEU 1 28 -4.959 -6.710 -5.508 1.00 0.00 C ATOM 479 CD2 LEU 1 28 -3.679 -8.684 -6.316 1.00 0.00 C ATOM 0 H LEU 1 28 -4.281 -6.231 -9.064 1.00 0.00 H new ATOM 0 HA LEU 1 28 -4.637 -8.993 -9.180 1.00 0.00 H new ATOM 0 HB2 LEU 1 28 -6.317 -6.954 -7.660 1.00 0.00 H new ATOM 0 HB3 LEU 1 28 -6.130 -8.650 -7.258 1.00 0.00 H new ATOM 0 HG LEU 1 28 -3.756 -6.786 -7.284 1.00 0.00 H new ATOM 0 HD11 LEU 1 28 -4.124 -6.465 -4.851 1.00 0.00 H new ATOM 0 HD12 LEU 1 28 -5.463 -5.792 -5.812 1.00 0.00 H new ATOM 0 HD13 LEU 1 28 -5.662 -7.351 -4.977 1.00 0.00 H new ATOM 0 HD21 LEU 1 28 -2.858 -8.404 -5.657 1.00 0.00 H new ATOM 0 HD22 LEU 1 28 -4.352 -9.360 -5.790 1.00 0.00 H new ATOM 0 HD23 LEU 1 28 -3.281 -9.183 -7.199 1.00 0.00 H new ATOM 491 N SER 1 29 -7.236 -9.439 -9.656 1.00 0.00 N ATOM 492 CA SER 1 29 -8.448 -9.791 -10.348 1.00 0.00 C ATOM 493 C SER 1 29 -9.663 -9.429 -9.499 1.00 0.00 C ATOM 494 O SER 1 29 -9.542 -9.034 -8.335 1.00 0.00 O ATOM 495 CB SER 1 29 -8.435 -11.291 -10.678 1.00 0.00 C ATOM 496 OG SER 1 29 -9.360 -11.595 -11.705 1.00 0.00 O ATOM 0 H SER 1 29 -6.961 -10.106 -8.935 1.00 0.00 H new ATOM 0 HA SER 1 29 -8.509 -9.230 -11.280 1.00 0.00 H new ATOM 0 HB2 SER 1 29 -7.433 -11.590 -10.987 1.00 0.00 H new ATOM 0 HB3 SER 1 29 -8.678 -11.865 -9.784 1.00 0.00 H new ATOM 0 HG SER 1 29 -9.810 -12.441 -11.500 1.00 0.00 H new ATOM 502 N TRP 1 30 -10.822 -9.610 -10.101 1.00 0.00 N ATOM 503 CA TRP 1 30 -12.119 -9.326 -9.504 1.00 0.00 C ATOM 504 C TRP 1 30 -12.474 -10.354 -8.416 1.00 0.00 C ATOM 505 O TRP 1 30 -13.365 -10.129 -7.592 1.00 0.00 O ATOM 506 CB TRP 1 30 -13.179 -9.349 -10.624 1.00 0.00 C ATOM 507 CG TRP 1 30 -13.351 -10.692 -11.308 1.00 0.00 C ATOM 508 CD1 TRP 1 30 -12.357 -11.499 -11.788 1.00 0.00 C ATOM 509 CD2 TRP 1 30 -14.582 -11.383 -11.583 1.00 0.00 C ATOM 510 NE1 TRP 1 30 -12.881 -12.641 -12.313 1.00 0.00 N ATOM 511 CE2 TRP 1 30 -14.241 -12.594 -12.211 1.00 0.00 C ATOM 512 CE3 TRP 1 30 -15.936 -11.104 -11.357 1.00 0.00 C ATOM 513 CZ2 TRP 1 30 -15.189 -13.519 -12.618 1.00 0.00 C ATOM 514 CZ3 TRP 1 30 -16.882 -12.028 -11.763 1.00 0.00 C ATOM 515 CH2 TRP 1 30 -16.504 -13.224 -12.387 1.00 0.00 C ATOM 0 H TRP 1 30 -10.893 -9.971 -11.052 1.00 0.00 H new ATOM 0 HA TRP 1 30 -12.089 -8.347 -9.026 1.00 0.00 H new ATOM 0 HB2 TRP 1 30 -14.138 -9.045 -10.204 1.00 0.00 H new ATOM 0 HB3 TRP 1 30 -12.910 -8.606 -11.375 1.00 0.00 H new ATOM 0 HD1 TRP 1 30 -11.303 -11.264 -11.755 1.00 0.00 H new ATOM 0 HE1 TRP 1 30 -12.344 -13.408 -12.717 1.00 0.00 H new ATOM 0 HE3 TRP 1 30 -16.236 -10.185 -10.875 1.00 0.00 H new ATOM 0 HZ2 TRP 1 30 -14.899 -14.441 -13.101 1.00 0.00 H new ATOM 0 HZ3 TRP 1 30 -17.929 -11.824 -11.596 1.00 0.00 H new ATOM 0 HH2 TRP 1 30 -17.266 -13.926 -12.691 1.00 0.00 H new ATOM 526 N GLN 1 31 -11.751 -11.475 -8.448 1.00 0.00 N ATOM 527 CA GLN 1 31 -11.949 -12.581 -7.522 1.00 0.00 C ATOM 528 C GLN 1 31 -10.964 -12.538 -6.364 1.00 0.00 C ATOM 529 O GLN 1 31 -11.241 -13.062 -5.282 1.00 0.00 O ATOM 530 CB GLN 1 31 -11.773 -13.892 -8.276 1.00 0.00 C ATOM 531 CG GLN 1 31 -12.878 -14.183 -9.280 1.00 0.00 C ATOM 532 CD GLN 1 31 -12.727 -15.542 -9.924 1.00 0.00 C ATOM 533 OE1 GLN 1 31 -12.138 -15.675 -10.996 1.00 0.00 O ATOM 534 NE2 GLN 1 31 -13.252 -16.561 -9.260 1.00 0.00 N ATOM 0 H GLN 1 31 -11.006 -11.638 -9.125 1.00 0.00 H new ATOM 0 HA GLN 1 31 -12.954 -12.499 -7.109 1.00 0.00 H new ATOM 0 HB2 GLN 1 31 -10.817 -13.872 -8.799 1.00 0.00 H new ATOM 0 HB3 GLN 1 31 -11.726 -14.709 -7.556 1.00 0.00 H new ATOM 0 HG2 GLN 1 31 -13.845 -14.126 -8.779 1.00 0.00 H new ATOM 0 HG3 GLN 1 31 -12.874 -13.415 -10.053 1.00 0.00 H new ATOM 0 HE21 GLN 1 31 -13.731 -16.400 -8.374 1.00 0.00 H new ATOM 0 HE22 GLN 1 31 -13.177 -17.507 -9.635 1.00 0.00 H new ATOM 543 N THR 1 32 -9.818 -11.898 -6.602 1.00 0.00 N ATOM 544 CA THR 1 32 -8.757 -11.779 -5.605 1.00 0.00 C ATOM 545 C THR 1 32 -9.177 -10.927 -4.390 1.00 0.00 C ATOM 546 O THR 1 32 -9.415 -9.721 -4.503 1.00 0.00 O ATOM 547 CB THR 1 32 -7.495 -11.193 -6.246 1.00 0.00 C ATOM 548 OG1 THR 1 32 -7.413 -11.580 -7.623 1.00 0.00 O ATOM 549 CG2 THR 1 32 -6.232 -11.646 -5.519 1.00 0.00 C ATOM 0 H THR 1 32 -9.601 -11.448 -7.491 1.00 0.00 H new ATOM 0 HA THR 1 32 -8.551 -12.784 -5.236 1.00 0.00 H new ATOM 0 HB THR 1 32 -7.565 -10.108 -6.170 1.00 0.00 H new ATOM 0 HG1 THR 1 32 -7.539 -12.549 -7.699 1.00 0.00 H new ATOM 0 HG21 THR 1 32 -5.358 -11.210 -6.002 1.00 0.00 H new ATOM 0 HG22 THR 1 32 -6.273 -11.319 -4.480 1.00 0.00 H new ATOM 0 HG23 THR 1 32 -6.162 -12.733 -5.554 1.00 0.00 H new ATOM 557 N SER 1 33 -9.259 -11.599 -3.241 1.00 0.00 N ATOM 558 CA SER 1 33 -9.623 -10.990 -1.961 1.00 0.00 C ATOM 559 C SER 1 33 -8.374 -10.805 -1.096 1.00 0.00 C ATOM 560 O SER 1 33 -7.373 -11.487 -1.337 1.00 0.00 O ATOM 561 CB SER 1 33 -10.636 -11.882 -1.236 1.00 0.00 C ATOM 562 OG SER 1 33 -11.868 -11.928 -1.933 1.00 0.00 O ATOM 0 H SER 1 33 -9.071 -12.599 -3.173 1.00 0.00 H new ATOM 0 HA SER 1 33 -10.072 -10.014 -2.143 1.00 0.00 H new ATOM 0 HB2 SER 1 33 -10.233 -12.890 -1.138 1.00 0.00 H new ATOM 0 HB3 SER 1 33 -10.800 -11.505 -0.227 1.00 0.00 H new ATOM 0 HG SER 1 33 -12.496 -12.505 -1.450 1.00 0.00 H new ATOM 568 N PRO 1 34 -8.378 -9.883 -0.076 1.00 0.00 N ATOM 569 CA PRO 1 34 -7.210 -9.686 0.812 1.00 0.00 C ATOM 570 C PRO 1 34 -6.778 -10.980 1.506 1.00 0.00 C ATOM 571 O PRO 1 34 -5.611 -11.146 1.873 1.00 0.00 O ATOM 572 CB PRO 1 34 -7.685 -8.641 1.835 1.00 0.00 C ATOM 573 CG PRO 1 34 -9.172 -8.611 1.709 1.00 0.00 C ATOM 574 CD PRO 1 34 -9.470 -8.944 0.277 1.00 0.00 C ATOM 0 HA PRO 1 34 -6.331 -9.364 0.253 1.00 0.00 H new ATOM 0 HB2 PRO 1 34 -7.382 -8.914 2.846 1.00 0.00 H new ATOM 0 HB3 PRO 1 34 -7.253 -7.662 1.626 1.00 0.00 H new ATOM 0 HG2 PRO 1 34 -9.636 -9.332 2.382 1.00 0.00 H new ATOM 0 HG3 PRO 1 34 -9.567 -7.630 1.972 1.00 0.00 H new ATOM 0 HD2 PRO 1 34 -10.452 -9.405 0.165 1.00 0.00 H new ATOM 0 HD3 PRO 1 34 -9.460 -8.056 -0.355 1.00 0.00 H new ATOM 582 N ASP 1 35 -7.746 -11.885 1.660 1.00 0.00 N ATOM 583 CA ASP 1 35 -7.521 -13.202 2.257 1.00 0.00 C ATOM 584 C ASP 1 35 -6.917 -14.144 1.231 1.00 0.00 C ATOM 585 O ASP 1 35 -6.123 -15.026 1.562 1.00 0.00 O ATOM 586 CB ASP 1 35 -8.818 -13.771 2.775 1.00 0.00 C ATOM 587 CG ASP 1 35 -9.003 -13.554 4.263 1.00 0.00 C ATOM 588 OD1 ASP 1 35 -8.773 -14.508 5.036 1.00 0.00 O ATOM 589 OD2 ASP 1 35 -9.376 -12.429 4.656 1.00 0.00 O ATOM 0 H ASP 1 35 -8.712 -11.724 1.373 1.00 0.00 H new ATOM 0 HA ASP 1 35 -6.827 -13.092 3.091 1.00 0.00 H new ATOM 0 HB2 ASP 1 35 -9.650 -13.313 2.240 1.00 0.00 H new ATOM 0 HB3 ASP 1 35 -8.851 -14.839 2.562 1.00 0.00 H new ATOM 594 N SER 1 36 -7.329 -13.934 -0.025 1.00 0.00 N ATOM 595 CA SER 1 36 -6.844 -14.706 -1.167 1.00 0.00 C ATOM 596 C SER 1 36 -5.393 -14.329 -1.442 1.00 0.00 C ATOM 597 O SER 1 36 -4.580 -15.177 -1.818 1.00 0.00 O ATOM 598 CB SER 1 36 -7.709 -14.442 -2.404 1.00 0.00 C ATOM 599 OG SER 1 36 -7.364 -15.312 -3.469 1.00 0.00 O ATOM 0 H SER 1 36 -8.012 -13.219 -0.275 1.00 0.00 H new ATOM 0 HA SER 1 36 -6.906 -15.769 -0.936 1.00 0.00 H new ATOM 0 HB2 SER 1 36 -8.761 -14.574 -2.150 1.00 0.00 H new ATOM 0 HB3 SER 1 36 -7.586 -13.407 -2.723 1.00 0.00 H new ATOM 0 HG SER 1 36 -7.933 -15.122 -4.244 1.00 0.00 H new ATOM 605 N LEU 1 37 -5.084 -13.033 -1.232 1.00 0.00 N ATOM 606 CA LEU 1 37 -3.770 -12.494 -1.400 1.00 0.00 C ATOM 607 C LEU 1 37 -2.861 -12.956 -0.262 1.00 0.00 C ATOM 608 O LEU 1 37 -1.692 -13.273 -0.476 1.00 0.00 O ATOM 609 CB LEU 1 37 -3.929 -10.986 -1.389 1.00 0.00 C ATOM 610 CG LEU 1 37 -3.688 -10.265 -2.711 1.00 0.00 C ATOM 611 CD1 LEU 1 37 -4.173 -8.834 -2.610 1.00 0.00 C ATOM 612 CD2 LEU 1 37 -2.222 -10.283 -3.108 1.00 0.00 C ATOM 0 H LEU 1 37 -5.772 -12.340 -0.936 1.00 0.00 H new ATOM 0 HA LEU 1 37 -3.312 -12.831 -2.330 1.00 0.00 H new ATOM 0 HB2 LEU 1 37 -4.939 -10.752 -1.053 1.00 0.00 H new ATOM 0 HB3 LEU 1 37 -3.243 -10.576 -0.647 1.00 0.00 H new ATOM 0 HG LEU 1 37 -4.247 -10.794 -3.483 1.00 0.00 H new ATOM 0 HD11 LEU 1 37 -3.999 -8.323 -3.557 1.00 0.00 H new ATOM 0 HD12 LEU 1 37 -5.239 -8.826 -2.384 1.00 0.00 H new ATOM 0 HD13 LEU 1 37 -3.631 -8.321 -1.816 1.00 0.00 H new ATOM 0 HD21 LEU 1 37 -2.095 -9.759 -4.055 1.00 0.00 H new ATOM 0 HD22 LEU 1 37 -1.630 -9.789 -2.338 1.00 0.00 H new ATOM 0 HD23 LEU 1 37 -1.887 -11.315 -3.217 1.00 0.00 H new ATOM 624 N ARG 1 38 -3.442 -13.002 0.951 1.00 0.00 N ATOM 625 CA ARG 1 38 -2.756 -13.452 2.148 1.00 0.00 C ATOM 626 C ARG 1 38 -2.479 -14.946 2.023 1.00 0.00 C ATOM 627 O ARG 1 38 -1.388 -15.408 2.343 1.00 0.00 O ATOM 628 CB ARG 1 38 -3.608 -13.166 3.392 1.00 0.00 C ATOM 629 CG ARG 1 38 -2.793 -12.912 4.656 1.00 0.00 C ATOM 630 CD ARG 1 38 -3.667 -12.911 5.905 1.00 0.00 C ATOM 631 NE ARG 1 38 -4.514 -11.713 5.996 1.00 0.00 N ATOM 632 CZ ARG 1 38 -5.262 -11.389 7.059 1.00 0.00 C ATOM 633 NH1 ARG 1 38 -5.288 -12.161 8.143 1.00 0.00 N ATOM 634 NH2 ARG 1 38 -5.992 -10.282 7.033 1.00 0.00 N ATOM 0 H ARG 1 38 -4.409 -12.723 1.116 1.00 0.00 H new ATOM 0 HA ARG 1 38 -1.814 -12.914 2.255 1.00 0.00 H new ATOM 0 HB2 ARG 1 38 -4.237 -12.298 3.197 1.00 0.00 H new ATOM 0 HB3 ARG 1 38 -4.275 -14.011 3.565 1.00 0.00 H new ATOM 0 HG2 ARG 1 38 -2.024 -13.678 4.752 1.00 0.00 H new ATOM 0 HG3 ARG 1 38 -2.280 -11.954 4.571 1.00 0.00 H new ATOM 0 HD2 ARG 1 38 -4.298 -13.800 5.904 1.00 0.00 H new ATOM 0 HD3 ARG 1 38 -3.032 -12.972 6.789 1.00 0.00 H new ATOM 0 HE ARG 1 38 -4.534 -11.084 5.193 1.00 0.00 H new ATOM 0 HH11 ARG 1 38 -4.732 -13.016 8.174 1.00 0.00 H new ATOM 0 HH12 ARG 1 38 -5.864 -11.898 8.943 1.00 0.00 H new ATOM 0 HH21 ARG 1 38 -5.982 -9.683 6.207 1.00 0.00 H new ATOM 0 HH22 ARG 1 38 -6.564 -10.029 7.839 1.00 0.00 H new ATOM 648 N ASP 1 39 -3.492 -15.685 1.527 1.00 0.00 N ATOM 649 CA ASP 1 39 -3.382 -17.124 1.302 1.00 0.00 C ATOM 650 C ASP 1 39 -2.380 -17.446 0.183 1.00 0.00 C ATOM 651 O ASP 1 39 -1.583 -18.379 0.315 1.00 0.00 O ATOM 652 CB ASP 1 39 -4.752 -17.713 0.957 1.00 0.00 C ATOM 653 CG ASP 1 39 -5.282 -18.621 2.048 1.00 0.00 C ATOM 654 OD1 ASP 1 39 -5.878 -18.102 3.015 1.00 0.00 O ATOM 655 OD2 ASP 1 39 -5.102 -19.852 1.936 1.00 0.00 O ATOM 0 H ASP 1 39 -4.400 -15.295 1.275 1.00 0.00 H new ATOM 0 HA ASP 1 39 -3.015 -17.575 2.224 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 -5.460 -16.902 0.787 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 -4.679 -18.274 0.025 1.00 0.00 H new ATOM 660 N TYR 1 40 -2.394 -16.635 -0.898 1.00 0.00 N ATOM 661 CA TYR 1 40 -1.506 -16.832 -2.042 1.00 0.00 C ATOM 662 C TYR 1 40 -0.053 -16.461 -1.700 1.00 0.00 C ATOM 663 O TYR 1 40 0.866 -17.246 -1.928 1.00 0.00 O ATOM 664 CB TYR 1 40 -2.000 -16.009 -3.239 1.00 0.00 C ATOM 665 CG TYR 1 40 -1.636 -16.614 -4.576 1.00 0.00 C ATOM 666 CD1 TYR 1 40 -0.527 -16.174 -5.282 1.00 0.00 C ATOM 667 CD2 TYR 1 40 -2.399 -17.639 -5.121 1.00 0.00 C ATOM 668 CE1 TYR 1 40 -0.186 -16.735 -6.498 1.00 0.00 C ATOM 669 CE2 TYR 1 40 -2.067 -18.206 -6.337 1.00 0.00 C ATOM 670 CZ TYR 1 40 -0.960 -17.749 -7.021 1.00 0.00 C ATOM 671 OH TYR 1 40 -0.623 -18.312 -8.231 1.00 0.00 O ATOM 0 H TYR 1 40 -3.019 -15.835 -0.992 1.00 0.00 H new ATOM 0 HA TYR 1 40 -1.524 -17.890 -2.303 1.00 0.00 H new ATOM 0 HB2 TYR 1 40 -3.083 -15.907 -3.178 1.00 0.00 H new ATOM 0 HB3 TYR 1 40 -1.581 -15.005 -3.177 1.00 0.00 H new ATOM 0 HD1 TYR 1 40 0.081 -15.379 -4.875 1.00 0.00 H new ATOM 0 HD2 TYR 1 40 -3.266 -17.999 -4.586 1.00 0.00 H new ATOM 0 HE1 TYR 1 40 0.681 -16.381 -7.035 1.00 0.00 H new ATOM 0 HE2 TYR 1 40 -2.670 -19.002 -6.749 1.00 0.00 H new ATOM 0 HH TYR 1 40 -0.547 -17.609 -8.909 1.00 0.00 H new ATOM 681 N PHE 1 41 0.123 -15.263 -1.122 1.00 0.00 N ATOM 682 CA PHE 1 41 1.425 -14.730 -0.754 1.00 0.00 C ATOM 683 C PHE 1 41 2.059 -15.440 0.447 1.00 0.00 C ATOM 684 O PHE 1 41 3.283 -15.426 0.597 1.00 0.00 O ATOM 685 CB PHE 1 41 1.295 -13.236 -0.547 1.00 0.00 C ATOM 686 CG PHE 1 41 1.420 -12.474 -1.843 1.00 0.00 C ATOM 687 CD1 PHE 1 41 0.403 -12.518 -2.788 1.00 0.00 C ATOM 688 CD2 PHE 1 41 2.565 -11.750 -2.135 1.00 0.00 C ATOM 689 CE1 PHE 1 41 0.533 -11.856 -3.996 1.00 0.00 C ATOM 690 CE2 PHE 1 41 2.694 -11.080 -3.336 1.00 0.00 C ATOM 691 CZ PHE 1 41 1.678 -11.135 -4.268 1.00 0.00 C ATOM 0 H PHE 1 41 -0.650 -14.637 -0.898 1.00 0.00 H new ATOM 0 HA PHE 1 41 2.120 -14.922 -1.571 1.00 0.00 H new ATOM 0 HB2 PHE 1 41 0.331 -13.016 -0.088 1.00 0.00 H new ATOM 0 HB3 PHE 1 41 2.063 -12.898 0.148 1.00 0.00 H new ATOM 0 HD1 PHE 1 41 -0.498 -13.075 -2.578 1.00 0.00 H new ATOM 0 HD2 PHE 1 41 3.368 -11.709 -1.414 1.00 0.00 H new ATOM 0 HE1 PHE 1 41 -0.261 -11.903 -4.726 1.00 0.00 H new ATOM 0 HE2 PHE 1 41 3.589 -10.514 -3.545 1.00 0.00 H new ATOM 0 HZ PHE 1 41 1.779 -10.615 -5.209 1.00 0.00 H new ATOM 701 N SER 1 42 1.215 -16.048 1.318 1.00 0.00 N ATOM 702 CA SER 1 42 1.694 -16.786 2.513 1.00 0.00 C ATOM 703 C SER 1 42 2.563 -17.948 2.076 1.00 0.00 C ATOM 704 O SER 1 42 3.292 -18.563 2.860 1.00 0.00 O ATOM 705 CB SER 1 42 0.521 -17.303 3.352 1.00 0.00 C ATOM 706 OG SER 1 42 0.964 -17.817 4.598 1.00 0.00 O ATOM 0 H SER 1 42 0.200 -16.041 1.215 1.00 0.00 H new ATOM 0 HA SER 1 42 2.276 -16.101 3.130 1.00 0.00 H new ATOM 0 HB2 SER 1 42 -0.191 -16.495 3.522 1.00 0.00 H new ATOM 0 HB3 SER 1 42 -0.007 -18.082 2.802 1.00 0.00 H new ATOM 0 HG SER 1 42 1.859 -18.202 4.493 1.00 0.00 H new ATOM 712 N LYS 1 43 2.444 -18.202 0.787 1.00 0.00 N ATOM 713 CA LYS 1 43 3.152 -19.256 0.091 1.00 0.00 C ATOM 714 C LYS 1 43 4.572 -18.816 -0.306 1.00 0.00 C ATOM 715 O LYS 1 43 5.415 -19.646 -0.652 1.00 0.00 O ATOM 716 CB LYS 1 43 2.345 -19.651 -1.135 1.00 0.00 C ATOM 717 CG LYS 1 43 1.228 -20.644 -0.841 1.00 0.00 C ATOM 718 CD LYS 1 43 1.435 -21.955 -1.581 1.00 0.00 C ATOM 719 CE LYS 1 43 0.421 -23.003 -1.154 1.00 0.00 C ATOM 720 NZ LYS 1 43 0.600 -24.284 -1.891 1.00 0.00 N ATOM 0 H LYS 1 43 1.831 -17.662 0.176 1.00 0.00 H new ATOM 0 HA LYS 1 43 3.262 -20.113 0.755 1.00 0.00 H new ATOM 0 HB2 LYS 1 43 1.914 -18.754 -1.579 1.00 0.00 H new ATOM 0 HB3 LYS 1 43 3.017 -20.083 -1.877 1.00 0.00 H new ATOM 0 HG2 LYS 1 43 1.183 -20.834 0.231 1.00 0.00 H new ATOM 0 HG3 LYS 1 43 0.270 -20.211 -1.129 1.00 0.00 H new ATOM 0 HD2 LYS 1 43 1.353 -21.785 -2.654 1.00 0.00 H new ATOM 0 HD3 LYS 1 43 2.443 -22.325 -1.393 1.00 0.00 H new ATOM 0 HE2 LYS 1 43 0.516 -23.184 -0.083 1.00 0.00 H new ATOM 0 HE3 LYS 1 43 -0.586 -22.624 -1.325 1.00 0.00 H new ATOM 0 HZ1 LYS 1 43 -0.111 -24.972 -1.570 1.00 0.00 H new ATOM 0 HZ2 LYS 1 43 0.484 -24.117 -2.911 1.00 0.00 H new ATOM 0 HZ3 LYS 1 43 1.552 -24.660 -1.708 1.00 0.00 H new ATOM 734 N PHE 1 44 4.808 -17.498 -0.240 1.00 0.00 N ATOM 735 CA PHE 1 44 6.108 -16.896 -0.555 1.00 0.00 C ATOM 736 C PHE 1 44 6.897 -16.646 0.731 1.00 0.00 C ATOM 737 O PHE 1 44 8.127 -16.741 0.754 1.00 0.00 O ATOM 738 CB PHE 1 44 5.904 -15.577 -1.283 1.00 0.00 C ATOM 739 CG PHE 1 44 6.358 -15.581 -2.713 1.00 0.00 C ATOM 740 CD1 PHE 1 44 7.691 -15.371 -3.033 1.00 0.00 C ATOM 741 CD2 PHE 1 44 5.451 -15.794 -3.737 1.00 0.00 C ATOM 742 CE1 PHE 1 44 8.107 -15.375 -4.349 1.00 0.00 C ATOM 743 CE2 PHE 1 44 5.863 -15.798 -5.056 1.00 0.00 C ATOM 744 CZ PHE 1 44 7.193 -15.589 -5.362 1.00 0.00 C ATOM 0 H PHE 1 44 4.099 -16.818 0.035 1.00 0.00 H new ATOM 0 HA PHE 1 44 6.666 -17.582 -1.193 1.00 0.00 H new ATOM 0 HB2 PHE 1 44 4.846 -15.319 -1.251 1.00 0.00 H new ATOM 0 HB3 PHE 1 44 6.440 -14.794 -0.747 1.00 0.00 H new ATOM 0 HD1 PHE 1 44 8.410 -15.203 -2.245 1.00 0.00 H new ATOM 0 HD2 PHE 1 44 4.410 -15.959 -3.502 1.00 0.00 H new ATOM 0 HE1 PHE 1 44 9.148 -15.211 -4.587 1.00 0.00 H new ATOM 0 HE2 PHE 1 44 5.146 -15.964 -5.846 1.00 0.00 H new ATOM 0 HZ PHE 1 44 7.518 -15.593 -6.392 1.00 0.00 H new ATOM 754 N GLY 1 45 6.148 -16.332 1.792 1.00 0.00 N ATOM 755 CA GLY 1 45 6.688 -16.067 3.091 1.00 0.00 C ATOM 756 C GLY 1 45 5.570 -15.890 4.086 1.00 0.00 C ATOM 757 O GLY 1 45 4.433 -16.307 3.834 1.00 0.00 O ATOM 0 H GLY 1 45 5.131 -16.258 1.751 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 7.335 -16.888 3.400 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 7.305 -15.169 3.061 1.00 0.00 H new ATOM 761 N GLU 1 46 5.882 -15.261 5.201 1.00 0.00 N ATOM 762 CA GLU 1 46 4.923 -15.012 6.237 1.00 0.00 C ATOM 763 C GLU 1 46 4.418 -13.586 6.156 1.00 0.00 C ATOM 764 O GLU 1 46 5.188 -12.628 6.043 1.00 0.00 O ATOM 765 CB GLU 1 46 5.484 -15.297 7.626 1.00 0.00 C ATOM 766 CG GLU 1 46 4.389 -15.400 8.679 1.00 0.00 C ATOM 767 CD GLU 1 46 4.899 -15.890 10.021 1.00 0.00 C ATOM 768 OE1 GLU 1 46 5.174 -15.041 10.897 1.00 0.00 O ATOM 769 OE2 GLU 1 46 5.026 -17.120 10.196 1.00 0.00 O ATOM 0 H GLU 1 46 6.817 -14.909 5.407 1.00 0.00 H new ATOM 0 HA GLU 1 46 4.091 -15.698 6.078 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 6.052 -16.227 7.603 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 6.180 -14.506 7.904 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 3.924 -14.423 8.808 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 3.613 -16.077 8.323 1.00 0.00 H new ATOM 776 N ILE 1 47 3.114 -13.499 6.235 1.00 0.00 N ATOM 777 CA ILE 1 47 2.389 -12.230 6.168 1.00 0.00 C ATOM 778 C ILE 1 47 1.828 -11.833 7.529 1.00 0.00 C ATOM 779 O ILE 1 47 1.311 -12.664 8.282 1.00 0.00 O ATOM 780 CB ILE 1 47 1.263 -12.265 5.107 1.00 0.00 C ATOM 781 CG1 ILE 1 47 1.866 -12.551 3.745 1.00 0.00 C ATOM 782 CG2 ILE 1 47 0.464 -10.957 5.056 1.00 0.00 C ATOM 783 CD1 ILE 1 47 1.132 -13.606 2.933 1.00 0.00 C ATOM 0 H ILE 1 47 2.507 -14.311 6.349 1.00 0.00 H new ATOM 0 HA ILE 1 47 3.111 -11.472 5.864 1.00 0.00 H new ATOM 0 HB ILE 1 47 0.568 -13.055 5.390 1.00 0.00 H new ATOM 0 HG12 ILE 1 47 1.891 -11.624 3.172 1.00 0.00 H new ATOM 0 HG13 ILE 1 47 2.899 -12.870 3.880 1.00 0.00 H new ATOM 0 HG21 ILE 1 47 -0.313 -11.035 4.296 1.00 0.00 H new ATOM 0 HG22 ILE 1 47 0.004 -10.773 6.027 1.00 0.00 H new ATOM 0 HG23 ILE 1 47 1.132 -10.132 4.809 1.00 0.00 H new ATOM 0 HD11 ILE 1 47 1.635 -13.743 1.976 1.00 0.00 H new ATOM 0 HD12 ILE 1 47 1.129 -14.549 3.480 1.00 0.00 H new ATOM 0 HD13 ILE 1 47 0.105 -13.283 2.761 1.00 0.00 H new ATOM 795 N ARG 1 48 1.970 -10.542 7.818 1.00 0.00 N ATOM 796 CA ARG 1 48 1.477 -9.930 9.041 1.00 0.00 C ATOM 797 C ARG 1 48 0.034 -9.473 8.850 1.00 0.00 C ATOM 798 O ARG 1 48 -0.814 -9.658 9.729 1.00 0.00 O ATOM 799 CB ARG 1 48 2.353 -8.722 9.366 1.00 0.00 C ATOM 800 CG ARG 1 48 2.441 -8.389 10.848 1.00 0.00 C ATOM 801 CD ARG 1 48 3.598 -7.444 11.143 1.00 0.00 C ATOM 802 NE ARG 1 48 4.866 -8.165 11.310 1.00 0.00 N ATOM 803 CZ ARG 1 48 5.917 -7.709 12.006 1.00 0.00 C ATOM 804 NH1 ARG 1 48 5.880 -6.525 12.615 1.00 0.00 N ATOM 805 NH2 ARG 1 48 7.013 -8.450 12.100 1.00 0.00 N ATOM 0 H ARG 1 48 2.439 -9.884 7.196 1.00 0.00 H new ATOM 0 HA ARG 1 48 1.513 -10.654 9.855 1.00 0.00 H new ATOM 0 HB2 ARG 1 48 3.358 -8.905 8.987 1.00 0.00 H new ATOM 0 HB3 ARG 1 48 1.965 -7.854 8.833 1.00 0.00 H new ATOM 0 HG2 ARG 1 48 1.506 -7.934 11.175 1.00 0.00 H new ATOM 0 HG3 ARG 1 48 2.566 -9.308 11.421 1.00 0.00 H new ATOM 0 HD2 ARG 1 48 3.694 -6.724 10.331 1.00 0.00 H new ATOM 0 HD3 ARG 1 48 3.381 -6.877 12.048 1.00 0.00 H new ATOM 0 HE ARG 1 48 4.953 -9.078 10.864 1.00 0.00 H new ATOM 0 HH11 ARG 1 48 5.041 -5.947 12.557 1.00 0.00 H new ATOM 0 HH12 ARG 1 48 6.690 -6.196 13.140 1.00 0.00 H new ATOM 0 HH21 ARG 1 48 7.053 -9.362 11.644 1.00 0.00 H new ATOM 0 HH22 ARG 1 48 7.816 -8.108 12.628 1.00 0.00 H new ATOM 819 N GLU 1 49 -0.227 -8.896 7.667 1.00 0.00 N ATOM 820 CA GLU 1 49 -1.538 -8.371 7.303 1.00 0.00 C ATOM 821 C GLU 1 49 -1.577 -8.100 5.803 1.00 0.00 C ATOM 822 O GLU 1 49 -0.542 -7.913 5.173 1.00 0.00 O ATOM 823 CB GLU 1 49 -1.851 -7.075 8.080 1.00 0.00 C ATOM 824 CG GLU 1 49 -3.339 -6.801 8.264 1.00 0.00 C ATOM 825 CD GLU 1 49 -3.607 -5.510 9.011 1.00 0.00 C ATOM 826 OE1 GLU 1 49 -3.729 -5.556 10.253 1.00 0.00 O ATOM 827 OE2 GLU 1 49 -3.693 -4.451 8.354 1.00 0.00 O ATOM 0 H GLU 1 49 0.475 -8.783 6.936 1.00 0.00 H new ATOM 0 HA GLU 1 49 -2.294 -9.112 7.563 1.00 0.00 H new ATOM 0 HB2 GLU 1 49 -1.379 -7.130 9.061 1.00 0.00 H new ATOM 0 HB3 GLU 1 49 -1.400 -6.232 7.556 1.00 0.00 H new ATOM 0 HG2 GLU 1 49 -3.820 -6.757 7.287 1.00 0.00 H new ATOM 0 HG3 GLU 1 49 -3.793 -7.631 8.806 1.00 0.00 H new ATOM 834 N CYS 1 50 -2.782 -8.078 5.260 1.00 0.00 N ATOM 835 CA CYS 1 50 -3.021 -7.823 3.864 1.00 0.00 C ATOM 836 C CYS 1 50 -4.148 -6.817 3.723 1.00 0.00 C ATOM 837 O CYS 1 50 -5.042 -6.734 4.572 1.00 0.00 O ATOM 838 CB CYS 1 50 -3.341 -9.114 3.107 1.00 0.00 C ATOM 839 SG CYS 1 50 -3.739 -8.882 1.356 1.00 0.00 S ATOM 0 H CYS 1 50 -3.635 -8.241 5.795 1.00 0.00 H new ATOM 0 HA CYS 1 50 -2.114 -7.410 3.423 1.00 0.00 H new ATOM 0 HB2 CYS 1 50 -2.487 -9.787 3.186 1.00 0.00 H new ATOM 0 HB3 CYS 1 50 -4.182 -9.607 3.595 1.00 0.00 H new ATOM 0 HG CYS 1 50 -4.513 -9.847 0.955 1.00 0.00 H new ATOM 845 N MET 1 51 -4.088 -6.069 2.636 1.00 0.00 N ATOM 846 CA MET 1 51 -5.054 -5.022 2.345 1.00 0.00 C ATOM 847 C MET 1 51 -5.309 -4.879 0.849 1.00 0.00 C ATOM 848 O MET 1 51 -4.385 -4.870 0.034 1.00 0.00 O ATOM 849 CB MET 1 51 -4.573 -3.694 2.927 1.00 0.00 C ATOM 850 CG MET 1 51 -5.493 -2.498 2.689 1.00 0.00 C ATOM 851 SD MET 1 51 -5.065 -1.064 3.702 1.00 0.00 S ATOM 852 CE MET 1 51 -3.608 -0.444 2.860 1.00 0.00 C ATOM 0 H MET 1 51 -3.364 -6.171 1.925 1.00 0.00 H new ATOM 0 HA MET 1 51 -5.998 -5.305 2.811 1.00 0.00 H new ATOM 0 HB2 MET 1 51 -4.437 -3.817 4.001 1.00 0.00 H new ATOM 0 HB3 MET 1 51 -3.594 -3.466 2.505 1.00 0.00 H new ATOM 0 HG2 MET 1 51 -5.450 -2.218 1.636 1.00 0.00 H new ATOM 0 HG3 MET 1 51 -6.522 -2.791 2.900 1.00 0.00 H new ATOM 0 HE1 MET 1 51 -3.237 0.441 3.378 1.00 0.00 H new ATOM 0 HE2 MET 1 51 -2.835 -1.213 2.856 1.00 0.00 H new ATOM 0 HE3 MET 1 51 -3.865 -0.183 1.833 1.00 0.00 H new ATOM 862 N VAL 1 52 -6.587 -4.796 0.533 1.00 0.00 N ATOM 863 CA VAL 1 52 -7.084 -4.593 -0.821 1.00 0.00 C ATOM 864 C VAL 1 52 -8.023 -3.387 -0.809 1.00 0.00 C ATOM 865 O VAL 1 52 -8.989 -3.334 -0.042 1.00 0.00 O ATOM 866 CB VAL 1 52 -7.790 -5.845 -1.372 1.00 0.00 C ATOM 867 CG1 VAL 1 52 -8.322 -5.647 -2.791 1.00 0.00 C ATOM 868 CG2 VAL 1 52 -6.849 -7.032 -1.337 1.00 0.00 C ATOM 0 H VAL 1 52 -7.331 -4.869 1.227 1.00 0.00 H new ATOM 0 HA VAL 1 52 -6.242 -4.405 -1.488 1.00 0.00 H new ATOM 0 HB VAL 1 52 -8.650 -6.032 -0.729 1.00 0.00 H new ATOM 0 HG11 VAL 1 52 -8.810 -6.562 -3.128 1.00 0.00 H new ATOM 0 HG12 VAL 1 52 -9.041 -4.828 -2.799 1.00 0.00 H new ATOM 0 HG13 VAL 1 52 -7.495 -5.410 -3.460 1.00 0.00 H new ATOM 0 HG21 VAL 1 52 -7.359 -7.912 -1.729 1.00 0.00 H new ATOM 0 HG22 VAL 1 52 -5.972 -6.819 -1.948 1.00 0.00 H new ATOM 0 HG23 VAL 1 52 -6.539 -7.220 -0.309 1.00 0.00 H new ATOM 878 N MET 1 53 -7.704 -2.435 -1.669 1.00 0.00 N ATOM 879 CA MET 1 53 -8.442 -1.166 -1.799 1.00 0.00 C ATOM 880 C MET 1 53 -9.827 -1.336 -2.431 1.00 0.00 C ATOM 881 O MET 1 53 -9.954 -1.760 -3.586 1.00 0.00 O ATOM 882 CB MET 1 53 -7.617 -0.159 -2.610 1.00 0.00 C ATOM 883 CG MET 1 53 -7.024 0.964 -1.771 1.00 0.00 C ATOM 884 SD MET 1 53 -8.280 1.967 -0.951 1.00 0.00 S ATOM 885 CE MET 1 53 -7.253 3.159 -0.096 1.00 0.00 C ATOM 0 H MET 1 53 -6.915 -2.512 -2.311 1.00 0.00 H new ATOM 0 HA MET 1 53 -8.601 -0.792 -0.788 1.00 0.00 H new ATOM 0 HB2 MET 1 53 -6.809 -0.688 -3.115 1.00 0.00 H new ATOM 0 HB3 MET 1 53 -8.249 0.274 -3.386 1.00 0.00 H new ATOM 0 HG2 MET 1 53 -6.360 0.537 -1.020 1.00 0.00 H new ATOM 0 HG3 MET 1 53 -6.415 1.604 -2.409 1.00 0.00 H new ATOM 0 HE1 MET 1 53 -7.885 3.852 0.459 1.00 0.00 H new ATOM 0 HE2 MET 1 53 -6.590 2.639 0.595 1.00 0.00 H new ATOM 0 HE3 MET 1 53 -6.658 3.713 -0.822 1.00 0.00 H new ATOM 895 N ARG 1 54 -10.858 -1.001 -1.643 1.00 0.00 N ATOM 896 CA ARG 1 54 -12.253 -1.088 -2.080 1.00 0.00 C ATOM 897 C ARG 1 54 -13.037 0.148 -1.627 1.00 0.00 C ATOM 898 O ARG 1 54 -12.665 0.795 -0.642 1.00 0.00 O ATOM 899 CB ARG 1 54 -12.904 -2.357 -1.519 1.00 0.00 C ATOM 900 CG ARG 1 54 -13.717 -3.129 -2.543 1.00 0.00 C ATOM 901 CD ARG 1 54 -14.238 -4.434 -1.967 1.00 0.00 C ATOM 902 NE ARG 1 54 -14.877 -5.270 -2.989 1.00 0.00 N ATOM 903 CZ ARG 1 54 -14.435 -6.477 -3.374 1.00 0.00 C ATOM 904 NH1 ARG 1 54 -13.345 -7.018 -2.833 1.00 0.00 N ATOM 905 NH2 ARG 1 54 -15.095 -7.145 -4.309 1.00 0.00 N ATOM 0 H ARG 1 54 -10.746 -0.663 -0.687 1.00 0.00 H new ATOM 0 HA ARG 1 54 -12.271 -1.131 -3.169 1.00 0.00 H new ATOM 0 HB2 ARG 1 54 -12.126 -3.008 -1.120 1.00 0.00 H new ATOM 0 HB3 ARG 1 54 -13.551 -2.085 -0.685 1.00 0.00 H new ATOM 0 HG2 ARG 1 54 -14.555 -2.518 -2.880 1.00 0.00 H new ATOM 0 HG3 ARG 1 54 -13.101 -3.336 -3.418 1.00 0.00 H new ATOM 0 HD2 ARG 1 54 -13.414 -4.984 -1.512 1.00 0.00 H new ATOM 0 HD3 ARG 1 54 -14.955 -4.220 -1.174 1.00 0.00 H new ATOM 0 HE ARG 1 54 -15.718 -4.908 -3.439 1.00 0.00 H new ATOM 0 HH11 ARG 1 54 -12.829 -6.514 -2.112 1.00 0.00 H new ATOM 0 HH12 ARG 1 54 -13.026 -7.937 -3.140 1.00 0.00 H new ATOM 0 HH21 ARG 1 54 -15.932 -6.741 -4.730 1.00 0.00 H new ATOM 0 HH22 ARG 1 54 -14.766 -8.063 -4.608 1.00 0.00 H new ATOM 919 N ASP 1 55 -14.130 0.455 -2.340 1.00 0.00 N ATOM 920 CA ASP 1 55 -14.971 1.591 -2.035 1.00 0.00 C ATOM 921 C ASP 1 55 -16.192 1.159 -1.213 1.00 0.00 C ATOM 922 O ASP 1 55 -17.018 0.387 -1.700 1.00 0.00 O ATOM 923 CB ASP 1 55 -15.419 2.263 -3.315 1.00 0.00 C ATOM 924 CG ASP 1 55 -14.520 3.414 -3.720 1.00 0.00 C ATOM 925 OD1 ASP 1 55 -14.836 4.568 -3.361 1.00 0.00 O ATOM 926 OD2 ASP 1 55 -13.499 3.161 -4.393 1.00 0.00 O ATOM 0 H ASP 1 55 -14.445 -0.087 -3.144 1.00 0.00 H new ATOM 0 HA ASP 1 55 -14.391 2.299 -1.443 1.00 0.00 H new ATOM 0 HB2 ASP 1 55 -15.442 1.526 -4.118 1.00 0.00 H new ATOM 0 HB3 ASP 1 55 -16.438 2.630 -3.190 1.00 0.00 H new ATOM 931 N PRO 1 56 -16.324 1.630 0.060 1.00 0.00 N ATOM 932 CA PRO 1 56 -17.469 1.279 0.936 1.00 0.00 C ATOM 933 C PRO 1 56 -18.858 1.637 0.370 1.00 0.00 C ATOM 934 O PRO 1 56 -19.874 1.242 0.952 1.00 0.00 O ATOM 935 CB PRO 1 56 -17.208 2.097 2.208 1.00 0.00 C ATOM 936 CG PRO 1 56 -15.746 2.364 2.207 1.00 0.00 C ATOM 937 CD PRO 1 56 -15.351 2.495 0.765 1.00 0.00 C ATOM 0 HA PRO 1 56 -17.513 0.199 1.075 1.00 0.00 H new ATOM 0 HB2 PRO 1 56 -17.778 3.026 2.202 1.00 0.00 H new ATOM 0 HB3 PRO 1 56 -17.507 1.545 3.099 1.00 0.00 H new ATOM 0 HG2 PRO 1 56 -15.515 3.275 2.759 1.00 0.00 H new ATOM 0 HG3 PRO 1 56 -15.201 1.552 2.689 1.00 0.00 H new ATOM 0 HD2 PRO 1 56 -15.412 3.529 0.424 1.00 0.00 H new ATOM 0 HD3 PRO 1 56 -14.326 2.165 0.598 1.00 0.00 H new ATOM 945 N THR 1 57 -18.905 2.374 -0.756 1.00 0.00 N ATOM 946 CA THR 1 57 -20.177 2.786 -1.354 1.00 0.00 C ATOM 947 C THR 1 57 -20.828 1.686 -2.201 1.00 0.00 C ATOM 948 O THR 1 57 -22.034 1.449 -2.095 1.00 0.00 O ATOM 949 CB THR 1 57 -20.014 4.049 -2.228 1.00 0.00 C ATOM 950 OG1 THR 1 57 -18.899 3.894 -3.115 1.00 0.00 O ATOM 951 CG2 THR 1 57 -19.819 5.292 -1.369 1.00 0.00 C ATOM 0 H THR 1 57 -18.079 2.692 -1.263 1.00 0.00 H new ATOM 0 HA THR 1 57 -20.831 3.001 -0.509 1.00 0.00 H new ATOM 0 HB THR 1 57 -20.927 4.174 -2.810 1.00 0.00 H new ATOM 0 HG1 THR 1 57 -18.805 4.699 -3.666 1.00 0.00 H new ATOM 0 HG21 THR 1 57 -19.707 6.165 -2.012 1.00 0.00 H new ATOM 0 HG22 THR 1 57 -20.686 5.427 -0.722 1.00 0.00 H new ATOM 0 HG23 THR 1 57 -18.924 5.175 -0.757 1.00 0.00 H new ATOM 959 N THR 1 58 -20.023 1.027 -3.042 1.00 0.00 N ATOM 960 CA THR 1 58 -20.511 -0.055 -3.912 1.00 0.00 C ATOM 961 C THR 1 58 -19.642 -1.314 -3.813 1.00 0.00 C ATOM 962 O THR 1 58 -19.974 -2.353 -4.393 1.00 0.00 O ATOM 963 CB THR 1 58 -20.574 0.400 -5.391 1.00 0.00 C ATOM 964 OG1 THR 1 58 -19.261 0.727 -5.869 1.00 0.00 O ATOM 965 CG2 THR 1 58 -21.479 1.613 -5.547 1.00 0.00 C ATOM 0 H THR 1 58 -19.027 1.223 -3.140 1.00 0.00 H new ATOM 0 HA THR 1 58 -21.514 -0.298 -3.562 1.00 0.00 H new ATOM 0 HB THR 1 58 -20.981 -0.425 -5.977 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -18.952 1.552 -5.439 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -21.507 1.914 -6.594 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -22.486 1.361 -5.215 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -21.093 2.435 -4.944 1.00 0.00 H new ATOM 973 N LYS 1 59 -18.524 -1.209 -3.068 1.00 0.00 N ATOM 974 CA LYS 1 59 -17.546 -2.305 -2.880 1.00 0.00 C ATOM 975 C LYS 1 59 -16.976 -2.778 -4.213 1.00 0.00 C ATOM 976 O LYS 1 59 -16.979 -3.967 -4.558 1.00 0.00 O ATOM 977 CB LYS 1 59 -18.133 -3.444 -2.042 1.00 0.00 C ATOM 978 CG LYS 1 59 -18.222 -3.050 -0.585 1.00 0.00 C ATOM 979 CD LYS 1 59 -19.657 -3.036 -0.087 1.00 0.00 C ATOM 980 CE LYS 1 59 -19.748 -2.426 1.302 1.00 0.00 C ATOM 981 NZ LYS 1 59 -21.155 -2.338 1.782 1.00 0.00 N ATOM 0 H LYS 1 59 -18.270 -0.354 -2.574 1.00 0.00 H new ATOM 0 HA LYS 1 59 -16.705 -1.911 -2.310 1.00 0.00 H new ATOM 0 HB2 LYS 1 59 -19.124 -3.702 -2.415 1.00 0.00 H new ATOM 0 HB3 LYS 1 59 -17.512 -4.334 -2.145 1.00 0.00 H new ATOM 0 HG2 LYS 1 59 -17.636 -3.746 0.015 1.00 0.00 H new ATOM 0 HG3 LYS 1 59 -17.781 -2.063 -0.449 1.00 0.00 H new ATOM 0 HD2 LYS 1 59 -20.280 -2.468 -0.778 1.00 0.00 H new ATOM 0 HD3 LYS 1 59 -20.048 -4.053 -0.067 1.00 0.00 H new ATOM 0 HE2 LYS 1 59 -19.164 -3.025 2.000 1.00 0.00 H new ATOM 0 HE3 LYS 1 59 -19.306 -1.430 1.290 1.00 0.00 H new ATOM 0 HZ1 LYS 1 59 -21.172 -1.916 2.733 1.00 0.00 H new ATOM 0 HZ2 LYS 1 59 -21.708 -1.745 1.130 1.00 0.00 H new ATOM 0 HZ3 LYS 1 59 -21.570 -3.291 1.819 1.00 0.00 H new ATOM 995 N ARG 1 60 -16.478 -1.786 -4.936 1.00 0.00 N ATOM 996 CA ARG 1 60 -15.869 -1.971 -6.252 1.00 0.00 C ATOM 997 C ARG 1 60 -14.342 -2.011 -6.145 1.00 0.00 C ATOM 998 O ARG 1 60 -13.738 -1.137 -5.517 1.00 0.00 O ATOM 999 CB ARG 1 60 -16.327 -0.853 -7.211 1.00 0.00 C ATOM 1000 CG ARG 1 60 -16.016 0.578 -6.751 1.00 0.00 C ATOM 1001 CD ARG 1 60 -16.321 1.603 -7.833 1.00 0.00 C ATOM 1002 NE ARG 1 60 -17.762 1.847 -7.977 1.00 0.00 N ATOM 1003 CZ ARG 1 60 -18.367 2.198 -9.119 1.00 0.00 C ATOM 1004 NH1 ARG 1 60 -17.674 2.353 -10.246 1.00 0.00 N ATOM 1005 NH2 ARG 1 60 -19.678 2.397 -9.133 1.00 0.00 N ATOM 0 H ARG 1 60 -16.484 -0.815 -4.624 1.00 0.00 H new ATOM 0 HA ARG 1 60 -16.198 -2.928 -6.656 1.00 0.00 H new ATOM 0 HB2 ARG 1 60 -15.857 -1.015 -8.181 1.00 0.00 H new ATOM 0 HB3 ARG 1 60 -17.403 -0.943 -7.359 1.00 0.00 H new ATOM 0 HG2 ARG 1 60 -16.600 0.807 -5.859 1.00 0.00 H new ATOM 0 HG3 ARG 1 60 -14.965 0.648 -6.471 1.00 0.00 H new ATOM 0 HD2 ARG 1 60 -15.818 2.540 -7.595 1.00 0.00 H new ATOM 0 HD3 ARG 1 60 -15.916 1.256 -8.784 1.00 0.00 H new ATOM 0 HE ARG 1 60 -18.345 1.741 -7.146 1.00 0.00 H new ATOM 0 HH11 ARG 1 60 -16.665 2.204 -10.249 1.00 0.00 H new ATOM 0 HH12 ARG 1 60 -18.152 2.621 -11.106 1.00 0.00 H new ATOM 0 HH21 ARG 1 60 -20.220 2.283 -8.277 1.00 0.00 H new ATOM 0 HH22 ARG 1 60 -20.144 2.664 -10.000 1.00 0.00 H new ATOM 1019 N SER 1 61 -13.732 -3.027 -6.765 1.00 0.00 N ATOM 1020 CA SER 1 61 -12.277 -3.194 -6.745 1.00 0.00 C ATOM 1021 C SER 1 61 -11.628 -2.530 -7.958 1.00 0.00 C ATOM 1022 O SER 1 61 -12.180 -2.570 -9.063 1.00 0.00 O ATOM 1023 CB SER 1 61 -11.917 -4.680 -6.713 1.00 0.00 C ATOM 1024 OG SER 1 61 -12.465 -5.314 -5.571 1.00 0.00 O ATOM 0 H SER 1 61 -14.227 -3.749 -7.289 1.00 0.00 H new ATOM 0 HA SER 1 61 -11.896 -2.710 -5.845 1.00 0.00 H new ATOM 0 HB2 SER 1 61 -12.287 -5.166 -7.615 1.00 0.00 H new ATOM 0 HB3 SER 1 61 -10.833 -4.795 -6.711 1.00 0.00 H new ATOM 0 HG SER 1 61 -12.222 -6.263 -5.575 1.00 0.00 H new ATOM 1030 N ARG 1 62 -10.458 -1.920 -7.740 1.00 0.00 N ATOM 1031 CA ARG 1 62 -9.715 -1.246 -8.811 1.00 0.00 C ATOM 1032 C ARG 1 62 -8.639 -2.160 -9.408 1.00 0.00 C ATOM 1033 O ARG 1 62 -8.046 -1.837 -10.441 1.00 0.00 O ATOM 1034 CB ARG 1 62 -9.087 0.053 -8.293 1.00 0.00 C ATOM 1035 CG ARG 1 62 -10.076 1.208 -8.196 1.00 0.00 C ATOM 1036 CD ARG 1 62 -9.407 2.484 -7.709 1.00 0.00 C ATOM 1037 NE ARG 1 62 -10.336 3.621 -7.702 1.00 0.00 N ATOM 1038 CZ ARG 1 62 -10.113 4.786 -7.077 1.00 0.00 C ATOM 1039 NH1 ARG 1 62 -8.988 4.999 -6.396 1.00 0.00 N ATOM 1040 NH2 ARG 1 62 -11.023 5.748 -7.144 1.00 0.00 N ATOM 0 H ARG 1 62 -10.003 -1.879 -6.828 1.00 0.00 H new ATOM 0 HA ARG 1 62 -10.422 -1.003 -9.604 1.00 0.00 H new ATOM 0 HB2 ARG 1 62 -8.655 -0.129 -7.309 1.00 0.00 H new ATOM 0 HB3 ARG 1 62 -8.268 0.340 -8.953 1.00 0.00 H new ATOM 0 HG2 ARG 1 62 -10.527 1.384 -9.173 1.00 0.00 H new ATOM 0 HG3 ARG 1 62 -10.884 0.939 -7.516 1.00 0.00 H new ATOM 0 HD2 ARG 1 62 -9.016 2.328 -6.703 1.00 0.00 H new ATOM 0 HD3 ARG 1 62 -8.556 2.715 -8.349 1.00 0.00 H new ATOM 0 HE ARG 1 62 -11.215 3.517 -8.209 1.00 0.00 H new ATOM 0 HH11 ARG 1 62 -8.278 4.269 -6.343 1.00 0.00 H new ATOM 0 HH12 ARG 1 62 -8.837 5.892 -5.927 1.00 0.00 H new ATOM 0 HH21 ARG 1 62 -11.885 5.599 -7.668 1.00 0.00 H new ATOM 0 HH22 ARG 1 62 -10.861 6.637 -6.671 1.00 0.00 H new ATOM 1054 N GLY 1 63 -8.405 -3.302 -8.747 1.00 0.00 N ATOM 1055 CA GLY 1 63 -7.421 -4.271 -9.213 1.00 0.00 C ATOM 1056 C GLY 1 63 -6.031 -4.056 -8.639 1.00 0.00 C ATOM 1057 O GLY 1 63 -5.039 -4.306 -9.328 1.00 0.00 O ATOM 0 H GLY 1 63 -8.887 -3.571 -7.889 1.00 0.00 H new ATOM 0 HA2 GLY 1 63 -7.760 -5.274 -8.953 1.00 0.00 H new ATOM 0 HA3 GLY 1 63 -7.366 -4.225 -10.301 1.00 0.00 H new ATOM 1061 N PHE 1 64 -5.952 -3.569 -7.388 1.00 0.00 N ATOM 1062 CA PHE 1 64 -4.664 -3.335 -6.720 1.00 0.00 C ATOM 1063 C PHE 1 64 -4.798 -3.420 -5.194 1.00 0.00 C ATOM 1064 O PHE 1 64 -5.866 -3.135 -4.643 1.00 0.00 O ATOM 1065 CB PHE 1 64 -4.045 -1.992 -7.169 1.00 0.00 C ATOM 1066 CG PHE 1 64 -4.667 -0.757 -6.574 1.00 0.00 C ATOM 1067 CD1 PHE 1 64 -4.360 -0.386 -5.284 1.00 0.00 C ATOM 1068 CD2 PHE 1 64 -5.531 0.023 -7.310 1.00 0.00 C ATOM 1069 CE1 PHE 1 64 -4.908 0.750 -4.723 1.00 0.00 C ATOM 1070 CE2 PHE 1 64 -6.090 1.164 -6.762 1.00 0.00 C ATOM 1071 CZ PHE 1 64 -5.777 1.529 -5.464 1.00 0.00 C ATOM 0 H PHE 1 64 -6.766 -3.331 -6.821 1.00 0.00 H new ATOM 0 HA PHE 1 64 -3.981 -4.129 -7.023 1.00 0.00 H new ATOM 0 HB2 PHE 1 64 -2.984 -2.000 -6.918 1.00 0.00 H new ATOM 0 HB3 PHE 1 64 -4.115 -1.925 -8.255 1.00 0.00 H new ATOM 0 HD1 PHE 1 64 -3.681 -0.992 -4.703 1.00 0.00 H new ATOM 0 HD2 PHE 1 64 -5.774 -0.258 -8.324 1.00 0.00 H new ATOM 0 HE1 PHE 1 64 -4.659 1.029 -3.710 1.00 0.00 H new ATOM 0 HE2 PHE 1 64 -6.769 1.768 -7.346 1.00 0.00 H new ATOM 0 HZ PHE 1 64 -6.210 2.419 -5.032 1.00 0.00 H new ATOM 1081 N GLY 1 65 -3.701 -3.814 -4.528 1.00 0.00 N ATOM 1082 CA GLY 1 65 -3.675 -3.936 -3.103 1.00 0.00 C ATOM 1083 C GLY 1 65 -2.256 -3.962 -2.589 1.00 0.00 C ATOM 1084 O GLY 1 65 -1.320 -3.625 -3.313 1.00 0.00 O ATOM 0 H GLY 1 65 -2.819 -4.052 -4.983 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -4.214 -3.102 -2.653 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -4.191 -4.848 -2.803 1.00 0.00 H new ATOM 1088 N PHE 1 66 -2.119 -4.314 -1.323 1.00 0.00 N ATOM 1089 CA PHE 1 66 -0.873 -4.410 -0.637 1.00 0.00 C ATOM 1090 C PHE 1 66 -0.858 -5.659 0.237 1.00 0.00 C ATOM 1091 O PHE 1 66 -1.903 -6.254 0.519 1.00 0.00 O ATOM 1092 CB PHE 1 66 -0.713 -3.193 0.246 1.00 0.00 C ATOM 1093 CG PHE 1 66 -0.525 -1.894 -0.485 1.00 0.00 C ATOM 1094 CD1 PHE 1 66 -1.618 -1.230 -1.015 1.00 0.00 C ATOM 1095 CD2 PHE 1 66 0.734 -1.334 -0.632 1.00 0.00 C ATOM 1096 CE1 PHE 1 66 -1.464 -0.031 -1.682 1.00 0.00 C ATOM 1097 CE2 PHE 1 66 0.896 -0.134 -1.299 1.00 0.00 C ATOM 1098 CZ PHE 1 66 -0.204 0.519 -1.824 1.00 0.00 C ATOM 0 H PHE 1 66 -2.917 -4.548 -0.732 1.00 0.00 H new ATOM 0 HA PHE 1 66 -0.060 -4.467 -1.361 1.00 0.00 H new ATOM 0 HB2 PHE 1 66 -1.593 -3.109 0.884 1.00 0.00 H new ATOM 0 HB3 PHE 1 66 0.143 -3.350 0.902 1.00 0.00 H new ATOM 0 HD1 PHE 1 66 -2.605 -1.656 -0.905 1.00 0.00 H new ATOM 0 HD2 PHE 1 66 1.596 -1.839 -0.222 1.00 0.00 H new ATOM 0 HE1 PHE 1 66 -2.325 0.476 -2.092 1.00 0.00 H new ATOM 0 HE2 PHE 1 66 1.882 0.293 -1.410 1.00 0.00 H new ATOM 0 HZ PHE 1 66 -0.079 1.457 -2.344 1.00 0.00 H new ATOM 1108 N VAL 1 67 0.337 -6.047 0.643 1.00 0.00 N ATOM 1109 CA VAL 1 67 0.552 -7.190 1.524 1.00 0.00 C ATOM 1110 C VAL 1 67 1.707 -6.856 2.427 1.00 0.00 C ATOM 1111 O VAL 1 67 2.755 -6.380 1.984 1.00 0.00 O ATOM 1112 CB VAL 1 67 0.818 -8.531 0.773 1.00 0.00 C ATOM 1113 CG1 VAL 1 67 1.256 -9.647 1.734 1.00 0.00 C ATOM 1114 CG2 VAL 1 67 -0.413 -8.982 -0.010 1.00 0.00 C ATOM 0 H VAL 1 67 1.199 -5.574 0.369 1.00 0.00 H new ATOM 0 HA VAL 1 67 -0.366 -7.359 2.086 1.00 0.00 H new ATOM 0 HB VAL 1 67 1.632 -8.340 0.074 1.00 0.00 H new ATOM 0 HG11 VAL 1 67 1.431 -10.564 1.171 1.00 0.00 H new ATOM 0 HG12 VAL 1 67 2.175 -9.351 2.241 1.00 0.00 H new ATOM 0 HG13 VAL 1 67 0.473 -9.819 2.473 1.00 0.00 H new ATOM 0 HG21 VAL 1 67 -0.195 -9.919 -0.522 1.00 0.00 H new ATOM 0 HG22 VAL 1 67 -1.247 -9.129 0.676 1.00 0.00 H new ATOM 0 HG23 VAL 1 67 -0.677 -8.220 -0.744 1.00 0.00 H new ATOM 1124 N THR 1 68 1.485 -7.125 3.688 1.00 0.00 N ATOM 1125 CA THR 1 68 2.442 -6.835 4.708 1.00 0.00 C ATOM 1126 C THR 1 68 3.106 -8.089 5.225 1.00 0.00 C ATOM 1127 O THR 1 68 2.518 -8.864 5.980 1.00 0.00 O ATOM 1128 CB THR 1 68 1.780 -6.082 5.844 1.00 0.00 C ATOM 1129 OG1 THR 1 68 0.738 -5.248 5.310 1.00 0.00 O ATOM 1130 CG2 THR 1 68 2.815 -5.258 6.599 1.00 0.00 C ATOM 0 H THR 1 68 0.626 -7.555 4.032 1.00 0.00 H new ATOM 0 HA THR 1 68 3.219 -6.210 4.268 1.00 0.00 H new ATOM 0 HB THR 1 68 1.338 -6.786 6.549 1.00 0.00 H new ATOM 0 HG1 THR 1 68 -0.064 -5.788 5.151 1.00 0.00 H new ATOM 0 HG21 THR 1 68 2.329 -4.721 7.413 1.00 0.00 H new ATOM 0 HG22 THR 1 68 3.580 -5.919 7.006 1.00 0.00 H new ATOM 0 HG23 THR 1 68 3.278 -4.543 5.918 1.00 0.00 H new ATOM 1138 N PHE 1 69 4.351 -8.248 4.813 1.00 0.00 N ATOM 1139 CA PHE 1 69 5.165 -9.377 5.199 1.00 0.00 C ATOM 1140 C PHE 1 69 5.833 -9.165 6.556 1.00 0.00 C ATOM 1141 O PHE 1 69 6.506 -8.153 6.774 1.00 0.00 O ATOM 1142 CB PHE 1 69 6.207 -9.633 4.127 1.00 0.00 C ATOM 1143 CG PHE 1 69 5.683 -10.496 3.025 1.00 0.00 C ATOM 1144 CD1 PHE 1 69 5.196 -9.926 1.866 1.00 0.00 C ATOM 1145 CD2 PHE 1 69 5.656 -11.875 3.156 1.00 0.00 C ATOM 1146 CE1 PHE 1 69 4.693 -10.713 0.850 1.00 0.00 C ATOM 1147 CE2 PHE 1 69 5.157 -12.670 2.147 1.00 0.00 C ATOM 1148 CZ PHE 1 69 4.675 -12.091 0.992 1.00 0.00 C ATOM 0 H PHE 1 69 4.826 -7.589 4.196 1.00 0.00 H new ATOM 0 HA PHE 1 69 4.516 -10.247 5.298 1.00 0.00 H new ATOM 0 HB2 PHE 1 69 6.542 -8.682 3.713 1.00 0.00 H new ATOM 0 HB3 PHE 1 69 7.078 -10.109 4.576 1.00 0.00 H new ATOM 0 HD1 PHE 1 69 5.209 -8.852 1.753 1.00 0.00 H new ATOM 0 HD2 PHE 1 69 6.031 -12.332 4.060 1.00 0.00 H new ATOM 0 HE1 PHE 1 69 4.315 -10.256 -0.053 1.00 0.00 H new ATOM 0 HE2 PHE 1 69 5.143 -13.744 2.261 1.00 0.00 H new ATOM 0 HZ PHE 1 69 4.284 -12.711 0.199 1.00 0.00 H new ATOM 1158 N ALA 1 70 5.639 -10.135 7.466 1.00 0.00 N ATOM 1159 CA ALA 1 70 6.212 -10.077 8.817 1.00 0.00 C ATOM 1160 C ALA 1 70 7.721 -10.323 8.857 1.00 0.00 C ATOM 1161 O ALA 1 70 8.342 -10.346 9.926 1.00 0.00 O ATOM 1162 CB ALA 1 70 5.474 -11.032 9.746 1.00 0.00 C ATOM 0 H ALA 1 70 5.086 -10.973 7.286 1.00 0.00 H new ATOM 0 HA ALA 1 70 6.074 -9.054 9.168 1.00 0.00 H new ATOM 0 HB1 ALA 1 70 5.910 -10.978 10.744 1.00 0.00 H new ATOM 0 HB2 ALA 1 70 4.422 -10.752 9.794 1.00 0.00 H new ATOM 0 HB3 ALA 1 70 5.562 -12.050 9.366 1.00 0.00 H new ATOM 1168 N ASP 1 71 8.281 -10.493 7.678 1.00 0.00 N ATOM 1169 CA ASP 1 71 9.693 -10.719 7.492 1.00 0.00 C ATOM 1170 C ASP 1 71 10.251 -9.802 6.407 1.00 0.00 C ATOM 1171 O ASP 1 71 9.645 -9.687 5.335 1.00 0.00 O ATOM 1172 CB ASP 1 71 9.934 -12.159 7.073 1.00 0.00 C ATOM 1173 CG ASP 1 71 11.334 -12.672 7.386 1.00 0.00 C ATOM 1174 OD1 ASP 1 71 11.908 -13.373 6.529 1.00 0.00 O ATOM 1175 OD2 ASP 1 71 11.849 -12.385 8.489 1.00 0.00 O ATOM 0 H ASP 1 71 7.753 -10.477 6.805 1.00 0.00 H new ATOM 0 HA ASP 1 71 10.194 -10.509 8.437 1.00 0.00 H new ATOM 0 HB2 ASP 1 71 9.205 -12.798 7.571 1.00 0.00 H new ATOM 0 HB3 ASP 1 71 9.757 -12.249 6.001 1.00 0.00 H new ATOM 1180 N PRO 1 72 11.405 -9.127 6.654 1.00 0.00 N ATOM 1181 CA PRO 1 72 12.042 -8.277 5.640 1.00 0.00 C ATOM 1182 C PRO 1 72 12.707 -9.096 4.551 1.00 0.00 C ATOM 1183 O PRO 1 72 13.034 -8.584 3.475 1.00 0.00 O ATOM 1184 CB PRO 1 72 13.112 -7.516 6.400 1.00 0.00 C ATOM 1185 CG PRO 1 72 12.871 -7.774 7.848 1.00 0.00 C ATOM 1186 CD PRO 1 72 12.168 -9.095 7.923 1.00 0.00 C ATOM 0 HA PRO 1 72 11.307 -7.638 5.150 1.00 0.00 H new ATOM 0 HB2 PRO 1 72 14.107 -7.851 6.107 1.00 0.00 H new ATOM 0 HB3 PRO 1 72 13.057 -6.449 6.182 1.00 0.00 H new ATOM 0 HG2 PRO 1 72 13.810 -7.800 8.401 1.00 0.00 H new ATOM 0 HG3 PRO 1 72 12.264 -6.984 8.289 1.00 0.00 H new ATOM 0 HD2 PRO 1 72 12.871 -9.925 7.994 1.00 0.00 H new ATOM 0 HD3 PRO 1 72 11.513 -9.157 8.792 1.00 0.00 H new ATOM 1194 N ALA 1 73 12.899 -10.379 4.856 1.00 0.00 N ATOM 1195 CA ALA 1 73 13.545 -11.311 3.940 1.00 0.00 C ATOM 1196 C ALA 1 73 12.610 -11.765 2.832 1.00 0.00 C ATOM 1197 O ALA 1 73 13.052 -12.072 1.721 1.00 0.00 O ATOM 1198 CB ALA 1 73 14.111 -12.505 4.690 1.00 0.00 C ATOM 0 H ALA 1 73 12.612 -10.797 5.741 1.00 0.00 H new ATOM 0 HA ALA 1 73 14.369 -10.776 3.468 1.00 0.00 H new ATOM 0 HB1 ALA 1 73 14.588 -13.185 3.984 1.00 0.00 H new ATOM 0 HB2 ALA 1 73 14.847 -12.162 5.417 1.00 0.00 H new ATOM 0 HB3 ALA 1 73 13.305 -13.025 5.207 1.00 0.00 H new ATOM 1204 N SER 1 74 11.315 -11.782 3.145 1.00 0.00 N ATOM 1205 CA SER 1 74 10.280 -12.189 2.187 1.00 0.00 C ATOM 1206 C SER 1 74 10.127 -11.163 1.072 1.00 0.00 C ATOM 1207 O SER 1 74 9.813 -11.510 -0.069 1.00 0.00 O ATOM 1208 CB SER 1 74 8.950 -12.422 2.893 1.00 0.00 C ATOM 1209 OG SER 1 74 8.113 -13.263 2.119 1.00 0.00 O ATOM 0 H SER 1 74 10.953 -11.517 4.061 1.00 0.00 H new ATOM 0 HA SER 1 74 10.596 -13.129 1.735 1.00 0.00 H new ATOM 0 HB2 SER 1 74 9.125 -12.874 3.869 1.00 0.00 H new ATOM 0 HB3 SER 1 74 8.453 -11.468 3.068 1.00 0.00 H new ATOM 0 HG SER 1 74 7.190 -13.193 2.442 1.00 0.00 H new ATOM 1215 N VAL 1 75 10.369 -9.899 1.426 1.00 0.00 N ATOM 1216 CA VAL 1 75 10.299 -8.776 0.484 1.00 0.00 C ATOM 1217 C VAL 1 75 11.418 -8.898 -0.543 1.00 0.00 C ATOM 1218 O VAL 1 75 11.254 -8.525 -1.702 1.00 0.00 O ATOM 1219 CB VAL 1 75 10.396 -7.399 1.209 1.00 0.00 C ATOM 1220 CG1 VAL 1 75 10.082 -6.240 0.265 1.00 0.00 C ATOM 1221 CG2 VAL 1 75 9.472 -7.339 2.423 1.00 0.00 C ATOM 0 H VAL 1 75 10.620 -9.623 2.375 1.00 0.00 H new ATOM 0 HA VAL 1 75 9.330 -8.819 -0.013 1.00 0.00 H new ATOM 0 HB VAL 1 75 11.427 -7.299 1.549 1.00 0.00 H new ATOM 0 HG11 VAL 1 75 10.160 -5.298 0.807 1.00 0.00 H new ATOM 0 HG12 VAL 1 75 10.791 -6.242 -0.563 1.00 0.00 H new ATOM 0 HG13 VAL 1 75 9.070 -6.352 -0.124 1.00 0.00 H new ATOM 0 HG21 VAL 1 75 9.566 -6.365 2.904 1.00 0.00 H new ATOM 0 HG22 VAL 1 75 8.441 -7.488 2.103 1.00 0.00 H new ATOM 0 HG23 VAL 1 75 9.749 -8.121 3.130 1.00 0.00 H new ATOM 1231 N ASP 1 76 12.538 -9.449 -0.084 1.00 0.00 N ATOM 1232 CA ASP 1 76 13.713 -9.681 -0.907 1.00 0.00 C ATOM 1233 C ASP 1 76 13.457 -10.830 -1.878 1.00 0.00 C ATOM 1234 O ASP 1 76 13.880 -10.805 -3.038 1.00 0.00 O ATOM 1235 CB ASP 1 76 14.887 -10.016 0.001 1.00 0.00 C ATOM 1236 CG ASP 1 76 16.221 -9.559 -0.560 1.00 0.00 C ATOM 1237 OD1 ASP 1 76 16.945 -10.400 -1.130 1.00 0.00 O ATOM 1238 OD2 ASP 1 76 16.539 -8.358 -0.429 1.00 0.00 O ATOM 0 H ASP 1 76 12.653 -9.750 0.884 1.00 0.00 H new ATOM 0 HA ASP 1 76 13.938 -8.786 -1.487 1.00 0.00 H new ATOM 0 HB2 ASP 1 76 14.730 -9.551 0.974 1.00 0.00 H new ATOM 0 HB3 ASP 1 76 14.917 -11.093 0.163 1.00 0.00 H new ATOM 1243 N LYS 1 77 12.737 -11.822 -1.359 1.00 0.00 N ATOM 1244 CA LYS 1 77 12.354 -13.024 -2.102 1.00 0.00 C ATOM 1245 C LYS 1 77 11.326 -12.726 -3.192 1.00 0.00 C ATOM 1246 O LYS 1 77 11.458 -13.193 -4.326 1.00 0.00 O ATOM 1247 CB LYS 1 77 11.801 -14.096 -1.154 1.00 0.00 C ATOM 1248 CG LYS 1 77 12.832 -14.669 -0.193 1.00 0.00 C ATOM 1249 CD LYS 1 77 12.386 -16.014 0.358 1.00 0.00 C ATOM 1250 CE LYS 1 77 13.330 -16.518 1.440 1.00 0.00 C ATOM 1251 NZ LYS 1 77 13.114 -15.822 2.739 1.00 0.00 N ATOM 0 H LYS 1 77 12.398 -11.815 -0.397 1.00 0.00 H new ATOM 0 HA LYS 1 77 13.258 -13.396 -2.584 1.00 0.00 H new ATOM 0 HB2 LYS 1 77 10.982 -13.667 -0.577 1.00 0.00 H new ATOM 0 HB3 LYS 1 77 11.382 -14.909 -1.747 1.00 0.00 H new ATOM 0 HG2 LYS 1 77 13.787 -14.782 -0.706 1.00 0.00 H new ATOM 0 HG3 LYS 1 77 12.993 -13.972 0.629 1.00 0.00 H new ATOM 0 HD2 LYS 1 77 11.379 -15.925 0.766 1.00 0.00 H new ATOM 0 HD3 LYS 1 77 12.339 -16.742 -0.452 1.00 0.00 H new ATOM 0 HE2 LYS 1 77 13.187 -17.590 1.575 1.00 0.00 H new ATOM 0 HE3 LYS 1 77 14.361 -16.372 1.118 1.00 0.00 H new ATOM 0 HZ1 LYS 1 77 13.777 -16.196 3.448 1.00 0.00 H new ATOM 0 HZ2 LYS 1 77 13.276 -14.802 2.617 1.00 0.00 H new ATOM 0 HZ3 LYS 1 77 12.138 -15.982 3.060 1.00 0.00 H new ATOM 1265 N VAL 1 78 10.335 -11.902 -2.843 1.00 0.00 N ATOM 1266 CA VAL 1 78 9.252 -11.528 -3.762 1.00 0.00 C ATOM 1267 C VAL 1 78 9.720 -10.478 -4.779 1.00 0.00 C ATOM 1268 O VAL 1 78 9.235 -10.452 -5.914 1.00 0.00 O ATOM 1269 CB VAL 1 78 7.983 -11.027 -3.000 1.00 0.00 C ATOM 1270 CG1 VAL 1 78 6.842 -10.691 -3.961 1.00 0.00 C ATOM 1271 CG2 VAL 1 78 7.509 -12.071 -1.993 1.00 0.00 C ATOM 0 H VAL 1 78 10.259 -11.476 -1.920 1.00 0.00 H new ATOM 0 HA VAL 1 78 8.975 -12.432 -4.305 1.00 0.00 H new ATOM 0 HB VAL 1 78 8.267 -10.117 -2.471 1.00 0.00 H new ATOM 0 HG11 VAL 1 78 5.978 -10.346 -3.393 1.00 0.00 H new ATOM 0 HG12 VAL 1 78 7.163 -9.906 -4.646 1.00 0.00 H new ATOM 0 HG13 VAL 1 78 6.571 -11.581 -4.530 1.00 0.00 H new ATOM 0 HG21 VAL 1 78 6.625 -11.701 -1.474 1.00 0.00 H new ATOM 0 HG22 VAL 1 78 7.263 -12.995 -2.516 1.00 0.00 H new ATOM 0 HG23 VAL 1 78 8.300 -12.264 -1.269 1.00 0.00 H new ATOM 1281 N LEU 1 79 10.656 -9.612 -4.360 1.00 0.00 N ATOM 1282 CA LEU 1 79 11.198 -8.568 -5.214 1.00 0.00 C ATOM 1283 C LEU 1 79 12.098 -9.166 -6.299 1.00 0.00 C ATOM 1284 O LEU 1 79 12.210 -8.613 -7.397 1.00 0.00 O ATOM 1285 CB LEU 1 79 11.998 -7.592 -4.351 1.00 0.00 C ATOM 1286 CG LEU 1 79 11.837 -6.090 -4.654 1.00 0.00 C ATOM 1287 CD1 LEU 1 79 12.819 -5.279 -3.822 1.00 0.00 C ATOM 1288 CD2 LEU 1 79 12.010 -5.771 -6.136 1.00 0.00 C ATOM 0 H LEU 1 79 11.051 -9.624 -3.420 1.00 0.00 H new ATOM 0 HA LEU 1 79 10.378 -8.046 -5.707 1.00 0.00 H new ATOM 0 HB2 LEU 1 79 11.723 -7.758 -3.309 1.00 0.00 H new ATOM 0 HB3 LEU 1 79 13.054 -7.845 -4.446 1.00 0.00 H new ATOM 0 HG LEU 1 79 10.817 -5.815 -4.385 1.00 0.00 H new ATOM 0 HD11 LEU 1 79 12.696 -4.219 -4.045 1.00 0.00 H new ATOM 0 HD12 LEU 1 79 12.628 -5.452 -2.763 1.00 0.00 H new ATOM 0 HD13 LEU 1 79 13.838 -5.584 -4.062 1.00 0.00 H new ATOM 0 HD21 LEU 1 79 11.887 -4.700 -6.294 1.00 0.00 H new ATOM 0 HD22 LEU 1 79 13.006 -6.073 -6.459 1.00 0.00 H new ATOM 0 HD23 LEU 1 79 11.261 -6.312 -6.714 1.00 0.00 H new ATOM 1300 N GLY 1 80 12.724 -10.310 -5.972 1.00 0.00 N ATOM 1301 CA GLY 1 80 13.594 -11.006 -6.903 1.00 0.00 C ATOM 1302 C GLY 1 80 12.834 -11.730 -7.998 1.00 0.00 C ATOM 1303 O GLY 1 80 13.352 -11.915 -9.104 1.00 0.00 O ATOM 0 H GLY 1 80 12.635 -10.764 -5.063 1.00 0.00 H new ATOM 0 HA2 GLY 1 80 14.279 -10.289 -7.357 1.00 0.00 H new ATOM 0 HA3 GLY 1 80 14.203 -11.725 -6.355 1.00 0.00 H new ATOM 1307 N GLN 1 81 11.611 -12.145 -7.673 1.00 0.00 N ATOM 1308 CA GLN 1 81 10.743 -12.832 -8.604 1.00 0.00 C ATOM 1309 C GLN 1 81 9.728 -11.846 -9.222 1.00 0.00 C ATOM 1310 O GLN 1 81 8.707 -11.528 -8.598 1.00 0.00 O ATOM 1311 CB GLN 1 81 10.052 -13.974 -7.869 1.00 0.00 C ATOM 1312 CG GLN 1 81 10.966 -15.167 -7.660 1.00 0.00 C ATOM 1313 CD GLN 1 81 10.332 -16.282 -6.853 1.00 0.00 C ATOM 1314 OE1 GLN 1 81 10.688 -16.362 -5.577 1.00 0.00 O flip ATOM 1315 NE2 GLN 1 81 9.554 -17.079 -7.378 1.00 0.00 N flip ATOM 0 H GLN 1 81 11.200 -12.009 -6.749 1.00 0.00 H new ATOM 0 HA GLN 1 81 11.323 -13.246 -9.429 1.00 0.00 H new ATOM 0 HB2 GLN 1 81 9.698 -13.618 -6.902 1.00 0.00 H new ATOM 0 HB3 GLN 1 81 9.174 -14.287 -8.434 1.00 0.00 H new ATOM 0 HG2 GLN 1 81 11.267 -15.559 -8.632 1.00 0.00 H new ATOM 0 HG3 GLN 1 81 11.873 -14.835 -7.155 1.00 0.00 H new ATOM 0 HE21 GLN 1 81 9.309 -16.979 -8.363 1.00 0.00 H new ATOM 0 HE22 GLN 1 81 9.155 -17.840 -6.828 1.00 0.00 H new ATOM 1324 N PRO 1 82 10.009 -11.318 -10.459 1.00 0.00 N ATOM 1325 CA PRO 1 82 9.124 -10.351 -11.142 1.00 0.00 C ATOM 1326 C PRO 1 82 7.869 -10.974 -11.762 1.00 0.00 C ATOM 1327 O PRO 1 82 6.841 -10.300 -11.881 1.00 0.00 O ATOM 1328 CB PRO 1 82 10.003 -9.762 -12.261 1.00 0.00 C ATOM 1329 CG PRO 1 82 11.372 -10.326 -12.062 1.00 0.00 C ATOM 1330 CD PRO 1 82 11.203 -11.596 -11.284 1.00 0.00 C ATOM 0 HA PRO 1 82 8.748 -9.623 -10.424 1.00 0.00 H new ATOM 0 HB2 PRO 1 82 9.612 -10.028 -13.243 1.00 0.00 H new ATOM 0 HB3 PRO 1 82 10.020 -8.673 -12.209 1.00 0.00 H new ATOM 0 HG2 PRO 1 82 11.854 -10.520 -13.020 1.00 0.00 H new ATOM 0 HG3 PRO 1 82 12.006 -9.623 -11.522 1.00 0.00 H new ATOM 0 HD2 PRO 1 82 11.051 -12.454 -11.939 1.00 0.00 H new ATOM 0 HD3 PRO 1 82 12.077 -11.814 -10.670 1.00 0.00 H new ATOM 1338 N HIS 1 83 7.953 -12.257 -12.144 1.00 0.00 N ATOM 1339 CA HIS 1 83 6.828 -12.954 -12.770 1.00 0.00 C ATOM 1340 C HIS 1 83 5.832 -13.463 -11.718 1.00 0.00 C ATOM 1341 O HIS 1 83 6.170 -14.300 -10.876 1.00 0.00 O ATOM 1342 CB HIS 1 83 7.348 -14.108 -13.633 1.00 0.00 C ATOM 1343 CG HIS 1 83 6.421 -14.502 -14.747 1.00 0.00 C ATOM 1344 ND1 HIS 1 83 6.553 -14.029 -16.035 1.00 0.00 N ATOM 1345 CD2 HIS 1 83 5.342 -15.320 -14.757 1.00 0.00 C ATOM 1346 CE1 HIS 1 83 5.595 -14.537 -16.790 1.00 0.00 C ATOM 1347 NE2 HIS 1 83 4.848 -15.324 -16.039 1.00 0.00 N ATOM 0 H HIS 1 83 8.789 -12.830 -12.029 1.00 0.00 H new ATOM 0 HA HIS 1 83 6.295 -12.248 -13.407 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 8.311 -13.825 -14.058 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 7.523 -14.975 -12.996 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 4.944 -15.867 -13.915 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 5.448 -14.342 -17.842 1.00 0.00 H new ATOM 0 HE2 HIS 1 83 4.035 -15.850 -16.359 1.00 0.00 H new ATOM 1356 N HIS 1 84 4.611 -12.918 -11.778 1.00 0.00 N ATOM 1357 CA HIS 1 84 3.532 -13.274 -10.870 1.00 0.00 C ATOM 1358 C HIS 1 84 2.246 -13.442 -11.667 1.00 0.00 C ATOM 1359 O HIS 1 84 1.807 -12.512 -12.355 1.00 0.00 O ATOM 1360 CB HIS 1 84 3.358 -12.180 -9.817 1.00 0.00 C ATOM 1361 CG HIS 1 84 3.071 -12.707 -8.446 1.00 0.00 C ATOM 1362 ND1 HIS 1 84 1.794 -12.967 -7.993 1.00 0.00 N ATOM 1363 CD2 HIS 1 84 3.903 -13.031 -7.429 1.00 0.00 C ATOM 1364 CE1 HIS 1 84 1.854 -13.425 -6.756 1.00 0.00 C ATOM 1365 NE2 HIS 1 84 3.121 -13.475 -6.391 1.00 0.00 N ATOM 0 H HIS 1 84 4.349 -12.212 -12.467 1.00 0.00 H new ATOM 0 HA HIS 1 84 3.771 -14.210 -10.365 1.00 0.00 H new ATOM 0 HB2 HIS 1 84 4.263 -11.574 -9.782 1.00 0.00 H new ATOM 0 HB3 HIS 1 84 2.545 -11.521 -10.121 1.00 0.00 H new ATOM 0 HD2 HIS 1 84 4.980 -12.955 -7.433 1.00 0.00 H new ATOM 0 HE1 HIS 1 84 1.009 -13.710 -6.146 1.00 0.00 H new ATOM 0 HE2 HIS 1 84 3.464 -13.792 -5.484 1.00 0.00 H new ATOM 1374 N GLU 1 85 1.659 -14.628 -11.579 1.00 0.00 N ATOM 1375 CA GLU 1 85 0.454 -14.940 -12.282 1.00 0.00 C ATOM 1376 C GLU 1 85 -0.677 -15.200 -11.306 1.00 0.00 C ATOM 1377 O GLU 1 85 -0.525 -15.911 -10.309 1.00 0.00 O ATOM 1378 CB GLU 1 85 0.667 -16.151 -13.197 1.00 0.00 C ATOM 1379 CG GLU 1 85 -0.153 -16.104 -14.478 1.00 0.00 C ATOM 1380 CD GLU 1 85 0.095 -17.301 -15.374 1.00 0.00 C ATOM 1381 OE1 GLU 1 85 -0.596 -18.327 -15.198 1.00 0.00 O ATOM 1382 OE2 GLU 1 85 0.980 -17.213 -16.251 1.00 0.00 O ATOM 0 H GLU 1 85 2.019 -15.395 -11.011 1.00 0.00 H new ATOM 0 HA GLU 1 85 0.183 -14.085 -12.901 1.00 0.00 H new ATOM 0 HB2 GLU 1 85 1.724 -16.218 -13.455 1.00 0.00 H new ATOM 0 HB3 GLU 1 85 0.415 -17.058 -12.648 1.00 0.00 H new ATOM 0 HG2 GLU 1 85 -1.212 -16.057 -14.225 1.00 0.00 H new ATOM 0 HG3 GLU 1 85 0.085 -15.191 -15.024 1.00 0.00 H new ATOM 1389 N LEU 1 86 -1.801 -14.598 -11.637 1.00 0.00 N ATOM 1390 CA LEU 1 86 -3.027 -14.684 -10.902 1.00 0.00 C ATOM 1391 C LEU 1 86 -4.167 -14.645 -11.906 1.00 0.00 C ATOM 1392 O LEU 1 86 -4.182 -13.810 -12.809 1.00 0.00 O ATOM 1393 CB LEU 1 86 -3.130 -13.509 -9.925 1.00 0.00 C ATOM 1394 CG LEU 1 86 -4.509 -13.264 -9.316 1.00 0.00 C ATOM 1395 CD1 LEU 1 86 -4.738 -14.130 -8.084 1.00 0.00 C ATOM 1396 CD2 LEU 1 86 -4.688 -11.791 -8.988 1.00 0.00 C ATOM 0 H LEU 1 86 -1.878 -14.010 -12.467 1.00 0.00 H new ATOM 0 HA LEU 1 86 -3.069 -15.606 -10.322 1.00 0.00 H new ATOM 0 HB2 LEU 1 86 -2.420 -13.673 -9.114 1.00 0.00 H new ATOM 0 HB3 LEU 1 86 -2.817 -12.603 -10.443 1.00 0.00 H new ATOM 0 HG LEU 1 86 -5.258 -13.548 -10.055 1.00 0.00 H new ATOM 0 HD11 LEU 1 86 -5.729 -13.929 -7.677 1.00 0.00 H new ATOM 0 HD12 LEU 1 86 -4.665 -15.182 -8.360 1.00 0.00 H new ATOM 0 HD13 LEU 1 86 -3.984 -13.899 -7.332 1.00 0.00 H new ATOM 0 HD21 LEU 1 86 -5.676 -11.632 -8.555 1.00 0.00 H new ATOM 0 HD22 LEU 1 86 -3.925 -11.482 -8.274 1.00 0.00 H new ATOM 0 HD23 LEU 1 86 -4.593 -11.201 -9.900 1.00 0.00 H new ATOM 1408 N ASP 1 87 -5.116 -15.552 -11.716 1.00 0.00 N ATOM 1409 CA ASP 1 87 -6.311 -15.708 -12.570 1.00 0.00 C ATOM 1410 C ASP 1 87 -5.942 -15.818 -14.051 1.00 0.00 C ATOM 1411 O ASP 1 87 -6.639 -15.326 -14.948 1.00 0.00 O ATOM 1412 CB ASP 1 87 -7.222 -14.537 -12.306 1.00 0.00 C ATOM 1413 CG ASP 1 87 -8.640 -14.719 -12.826 1.00 0.00 C ATOM 1414 OD1 ASP 1 87 -8.916 -14.279 -13.962 1.00 0.00 O ATOM 1415 OD2 ASP 1 87 -9.470 -15.300 -12.096 1.00 0.00 O ATOM 0 H ASP 1 87 -5.086 -16.222 -10.947 1.00 0.00 H new ATOM 0 HA ASP 1 87 -6.822 -16.639 -12.324 1.00 0.00 H new ATOM 0 HB2 ASP 1 87 -7.262 -14.357 -11.232 1.00 0.00 H new ATOM 0 HB3 ASP 1 87 -6.791 -13.646 -12.763 1.00 0.00 H new ATOM 1420 N SER 1 88 -4.829 -16.504 -14.256 1.00 0.00 N ATOM 1421 CA SER 1 88 -4.229 -16.767 -15.585 1.00 0.00 C ATOM 1422 C SER 1 88 -3.666 -15.482 -16.225 1.00 0.00 C ATOM 1423 O SER 1 88 -3.281 -15.482 -17.401 1.00 0.00 O ATOM 1424 CB SER 1 88 -5.231 -17.454 -16.537 1.00 0.00 C ATOM 1425 OG SER 1 88 -5.663 -18.698 -16.013 1.00 0.00 O ATOM 0 H SER 1 88 -4.291 -16.911 -13.491 1.00 0.00 H new ATOM 0 HA SER 1 88 -3.396 -17.451 -15.422 1.00 0.00 H new ATOM 0 HB2 SER 1 88 -6.092 -16.804 -16.695 1.00 0.00 H new ATOM 0 HB3 SER 1 88 -4.765 -17.608 -17.510 1.00 0.00 H new ATOM 0 HG SER 1 88 -6.298 -19.112 -16.634 1.00 0.00 H new ATOM 1431 N LYS 1 89 -3.602 -14.397 -15.435 1.00 0.00 N ATOM 1432 CA LYS 1 89 -3.082 -13.129 -15.901 1.00 0.00 C ATOM 1433 C LYS 1 89 -1.957 -12.658 -14.999 1.00 0.00 C ATOM 1434 O LYS 1 89 -1.905 -12.964 -13.808 1.00 0.00 O ATOM 1435 CB LYS 1 89 -4.168 -12.038 -16.024 1.00 0.00 C ATOM 1436 CG LYS 1 89 -5.308 -12.113 -15.010 1.00 0.00 C ATOM 1437 CD LYS 1 89 -6.373 -11.068 -15.301 1.00 0.00 C ATOM 1438 CE LYS 1 89 -7.547 -11.181 -14.342 1.00 0.00 C ATOM 1439 NZ LYS 1 89 -8.607 -10.180 -14.645 1.00 0.00 N ATOM 0 H LYS 1 89 -3.911 -14.388 -14.463 1.00 0.00 H new ATOM 0 HA LYS 1 89 -2.697 -13.298 -16.906 1.00 0.00 H new ATOM 0 HB2 LYS 1 89 -3.689 -11.064 -15.931 1.00 0.00 H new ATOM 0 HB3 LYS 1 89 -4.595 -12.089 -17.026 1.00 0.00 H new ATOM 0 HG2 LYS 1 89 -5.754 -13.107 -15.034 1.00 0.00 H new ATOM 0 HG3 LYS 1 89 -4.914 -11.964 -14.005 1.00 0.00 H new ATOM 0 HD2 LYS 1 89 -5.936 -10.072 -15.226 1.00 0.00 H new ATOM 0 HD3 LYS 1 89 -6.727 -11.184 -16.325 1.00 0.00 H new ATOM 0 HE2 LYS 1 89 -7.968 -12.185 -14.399 1.00 0.00 H new ATOM 0 HE3 LYS 1 89 -7.196 -11.041 -13.320 1.00 0.00 H new ATOM 0 HZ1 LYS 1 89 -9.390 -10.289 -13.970 1.00 0.00 H new ATOM 0 HZ2 LYS 1 89 -8.212 -9.221 -14.566 1.00 0.00 H new ATOM 0 HZ3 LYS 1 89 -8.960 -10.330 -15.612 1.00 0.00 H new ATOM 1453 N THR 1 90 -1.073 -11.902 -15.613 1.00 0.00 N ATOM 1454 CA THR 1 90 0.123 -11.344 -14.968 1.00 0.00 C ATOM 1455 C THR 1 90 -0.197 -10.060 -14.182 1.00 0.00 C ATOM 1456 O THR 1 90 -0.777 -9.118 -14.729 1.00 0.00 O ATOM 1457 CB THR 1 90 1.218 -11.046 -16.026 1.00 0.00 C ATOM 1458 OG1 THR 1 90 1.250 -12.092 -17.006 1.00 0.00 O ATOM 1459 CG2 THR 1 90 2.602 -10.921 -15.393 1.00 0.00 C ATOM 0 H THR 1 90 -1.156 -11.645 -16.597 1.00 0.00 H new ATOM 0 HA THR 1 90 0.488 -12.091 -14.263 1.00 0.00 H new ATOM 0 HB THR 1 90 0.965 -10.094 -16.494 1.00 0.00 H new ATOM 0 HG1 THR 1 90 1.942 -11.896 -17.671 1.00 0.00 H new ATOM 0 HG21 THR 1 90 3.339 -10.712 -16.168 1.00 0.00 H new ATOM 0 HG22 THR 1 90 2.598 -10.107 -14.668 1.00 0.00 H new ATOM 0 HG23 THR 1 90 2.858 -11.854 -14.891 1.00 0.00 H new ATOM 1467 N ILE 1 91 0.197 -10.043 -12.899 1.00 0.00 N ATOM 1468 CA ILE 1 91 -0.023 -8.884 -12.018 1.00 0.00 C ATOM 1469 C ILE 1 91 1.317 -8.198 -11.691 1.00 0.00 C ATOM 1470 O ILE 1 91 2.378 -8.748 -12.010 1.00 0.00 O ATOM 1471 CB ILE 1 91 -0.854 -9.270 -10.754 1.00 0.00 C ATOM 1472 CG1 ILE 1 91 -0.164 -10.298 -9.853 1.00 0.00 C ATOM 1473 CG2 ILE 1 91 -2.217 -9.797 -11.198 1.00 0.00 C ATOM 1474 CD1 ILE 1 91 -0.921 -10.582 -8.561 1.00 0.00 C ATOM 0 H ILE 1 91 0.672 -10.824 -12.446 1.00 0.00 H new ATOM 0 HA ILE 1 91 -0.630 -8.149 -12.546 1.00 0.00 H new ATOM 0 HB ILE 1 91 -0.960 -8.367 -10.153 1.00 0.00 H new ATOM 0 HG12 ILE 1 91 -0.043 -11.230 -10.406 1.00 0.00 H new ATOM 0 HG13 ILE 1 91 0.836 -9.940 -9.607 1.00 0.00 H new ATOM 0 HG21 ILE 1 91 -2.805 -10.069 -10.321 1.00 0.00 H new ATOM 0 HG22 ILE 1 91 -2.741 -9.024 -11.760 1.00 0.00 H new ATOM 0 HG23 ILE 1 91 -2.080 -10.675 -11.830 1.00 0.00 H new ATOM 0 HD11 ILE 1 91 -0.374 -11.319 -7.973 1.00 0.00 H new ATOM 0 HD12 ILE 1 91 -1.020 -9.661 -7.987 1.00 0.00 H new ATOM 0 HD13 ILE 1 91 -1.912 -10.970 -8.798 1.00 0.00 H new ATOM 1486 N ASP 1 92 1.284 -7.004 -11.069 1.00 0.00 N ATOM 1487 CA ASP 1 92 2.520 -6.264 -10.811 1.00 0.00 C ATOM 1488 C ASP 1 92 2.881 -6.131 -9.311 1.00 0.00 C ATOM 1489 O ASP 1 92 2.391 -5.217 -8.635 1.00 0.00 O ATOM 1490 CB ASP 1 92 2.402 -4.881 -11.461 1.00 0.00 C ATOM 1491 CG ASP 1 92 3.748 -4.211 -11.701 1.00 0.00 C ATOM 1492 OD1 ASP 1 92 4.273 -3.583 -10.758 1.00 0.00 O ATOM 1493 OD2 ASP 1 92 4.270 -4.314 -12.830 1.00 0.00 O ATOM 0 H ASP 1 92 0.433 -6.545 -10.745 1.00 0.00 H new ATOM 0 HA ASP 1 92 3.338 -6.837 -11.248 1.00 0.00 H new ATOM 0 HB2 ASP 1 92 1.878 -4.978 -12.412 1.00 0.00 H new ATOM 0 HB3 ASP 1 92 1.793 -4.239 -10.825 1.00 0.00 H new ATOM 1498 N PRO 1 93 3.726 -7.056 -8.754 1.00 0.00 N ATOM 1499 CA PRO 1 93 4.185 -6.967 -7.360 1.00 0.00 C ATOM 1500 C PRO 1 93 5.388 -6.020 -7.222 1.00 0.00 C ATOM 1501 O PRO 1 93 6.410 -6.202 -7.896 1.00 0.00 O ATOM 1502 CB PRO 1 93 4.591 -8.411 -7.004 1.00 0.00 C ATOM 1503 CG PRO 1 93 4.360 -9.233 -8.238 1.00 0.00 C ATOM 1504 CD PRO 1 93 4.259 -8.276 -9.393 1.00 0.00 C ATOM 0 HA PRO 1 93 3.414 -6.567 -6.701 1.00 0.00 H new ATOM 0 HB2 PRO 1 93 5.636 -8.456 -6.697 1.00 0.00 H new ATOM 0 HB3 PRO 1 93 3.998 -8.787 -6.170 1.00 0.00 H new ATOM 0 HG2 PRO 1 93 5.178 -9.937 -8.391 1.00 0.00 H new ATOM 0 HG3 PRO 1 93 3.447 -9.821 -8.144 1.00 0.00 H new ATOM 0 HD2 PRO 1 93 5.228 -8.099 -9.859 1.00 0.00 H new ATOM 0 HD3 PRO 1 93 3.594 -8.649 -10.172 1.00 0.00 H new ATOM 1512 N LYS 1 94 5.258 -5.014 -6.349 1.00 0.00 N ATOM 1513 CA LYS 1 94 6.328 -4.024 -6.126 1.00 0.00 C ATOM 1514 C LYS 1 94 6.402 -3.612 -4.649 1.00 0.00 C ATOM 1515 O LYS 1 94 5.464 -3.852 -3.898 1.00 0.00 O ATOM 1516 CB LYS 1 94 6.134 -2.786 -7.040 1.00 0.00 C ATOM 1517 CG LYS 1 94 4.772 -2.094 -6.914 1.00 0.00 C ATOM 1518 CD LYS 1 94 4.322 -1.490 -8.235 1.00 0.00 C ATOM 1519 CE LYS 1 94 2.934 -0.882 -8.119 1.00 0.00 C ATOM 1520 NZ LYS 1 94 2.480 -0.279 -9.403 1.00 0.00 N ATOM 0 H LYS 1 94 4.423 -4.861 -5.783 1.00 0.00 H new ATOM 0 HA LYS 1 94 7.277 -4.491 -6.388 1.00 0.00 H new ATOM 0 HB2 LYS 1 94 6.915 -2.060 -6.814 1.00 0.00 H new ATOM 0 HB3 LYS 1 94 6.274 -3.093 -8.076 1.00 0.00 H new ATOM 0 HG2 LYS 1 94 4.029 -2.814 -6.571 1.00 0.00 H new ATOM 0 HG3 LYS 1 94 4.830 -1.311 -6.157 1.00 0.00 H new ATOM 0 HD2 LYS 1 94 5.032 -0.724 -8.548 1.00 0.00 H new ATOM 0 HD3 LYS 1 94 4.321 -2.259 -9.008 1.00 0.00 H new ATOM 0 HE2 LYS 1 94 2.226 -1.651 -7.809 1.00 0.00 H new ATOM 0 HE3 LYS 1 94 2.936 -0.119 -7.341 1.00 0.00 H new ATOM 0 HZ1 LYS 1 94 1.529 0.124 -9.280 1.00 0.00 H new ATOM 0 HZ2 LYS 1 94 3.141 0.472 -9.686 1.00 0.00 H new ATOM 0 HZ3 LYS 1 94 2.453 -1.012 -10.140 1.00 0.00 H new ATOM 1534 N VAL 1 95 7.523 -2.995 -4.246 1.00 0.00 N ATOM 1535 CA VAL 1 95 7.715 -2.551 -2.853 1.00 0.00 C ATOM 1536 C VAL 1 95 7.324 -1.071 -2.693 1.00 0.00 C ATOM 1537 O VAL 1 95 7.475 -0.275 -3.624 1.00 0.00 O ATOM 1538 CB VAL 1 95 9.164 -2.793 -2.359 1.00 0.00 C ATOM 1539 CG1 VAL 1 95 9.312 -2.527 -0.860 1.00 0.00 C ATOM 1540 CG2 VAL 1 95 9.618 -4.215 -2.674 1.00 0.00 C ATOM 0 H VAL 1 95 8.310 -2.791 -4.862 1.00 0.00 H new ATOM 0 HA VAL 1 95 7.056 -3.154 -2.229 1.00 0.00 H new ATOM 0 HB VAL 1 95 9.799 -2.086 -2.893 1.00 0.00 H new ATOM 0 HG11 VAL 1 95 10.343 -2.709 -0.558 1.00 0.00 H new ATOM 0 HG12 VAL 1 95 9.049 -1.491 -0.647 1.00 0.00 H new ATOM 0 HG13 VAL 1 95 8.649 -3.191 -0.305 1.00 0.00 H new ATOM 0 HG21 VAL 1 95 10.638 -4.359 -2.317 1.00 0.00 H new ATOM 0 HG22 VAL 1 95 8.957 -4.926 -2.179 1.00 0.00 H new ATOM 0 HG23 VAL 1 95 9.584 -4.377 -3.751 1.00 0.00 H new ATOM 1550 N ALA 1 96 6.804 -0.730 -1.501 1.00 0.00 N ATOM 1551 CA ALA 1 96 6.364 0.626 -1.160 1.00 0.00 C ATOM 1552 C ALA 1 96 7.523 1.636 -1.133 1.00 0.00 C ATOM 1553 O ALA 1 96 8.695 1.250 -1.118 1.00 0.00 O ATOM 1554 CB ALA 1 96 5.646 0.604 0.183 1.00 0.00 C ATOM 0 H ALA 1 96 6.678 -1.399 -0.741 1.00 0.00 H new ATOM 0 HA ALA 1 96 5.681 0.957 -1.942 1.00 0.00 H new ATOM 0 HB1 ALA 1 96 5.319 1.612 0.437 1.00 0.00 H new ATOM 0 HB2 ALA 1 96 4.779 -0.054 0.122 1.00 0.00 H new ATOM 0 HB3 ALA 1 96 6.325 0.238 0.953 1.00 0.00 H new ATOM 1560 N PHE 1 97 7.170 2.930 -1.121 1.00 0.00 N ATOM 1561 CA PHE 1 97 8.124 4.016 -1.108 1.00 0.00 C ATOM 1562 C PHE 1 97 8.231 4.631 0.297 1.00 0.00 C ATOM 1563 O PHE 1 97 7.222 4.703 1.006 1.00 0.00 O ATOM 1564 CB PHE 1 97 7.671 5.068 -2.114 1.00 0.00 C ATOM 1565 CG PHE 1 97 8.100 4.775 -3.524 1.00 0.00 C ATOM 1566 CD1 PHE 1 97 7.426 3.831 -4.290 1.00 0.00 C ATOM 1567 CD2 PHE 1 97 9.180 5.438 -4.085 1.00 0.00 C ATOM 1568 CE1 PHE 1 97 7.824 3.556 -5.584 1.00 0.00 C ATOM 1569 CE2 PHE 1 97 9.581 5.166 -5.380 1.00 0.00 C ATOM 1570 CZ PHE 1 97 8.902 4.224 -6.130 1.00 0.00 C ATOM 0 H PHE 1 97 6.199 3.241 -1.120 1.00 0.00 H new ATOM 0 HA PHE 1 97 9.110 3.640 -1.380 1.00 0.00 H new ATOM 0 HB2 PHE 1 97 6.584 5.145 -2.082 1.00 0.00 H new ATOM 0 HB3 PHE 1 97 8.068 6.038 -1.816 1.00 0.00 H new ATOM 0 HD1 PHE 1 97 6.581 3.306 -3.869 1.00 0.00 H new ATOM 0 HD2 PHE 1 97 9.714 6.175 -3.504 1.00 0.00 H new ATOM 0 HE1 PHE 1 97 7.292 2.819 -6.168 1.00 0.00 H new ATOM 0 HE2 PHE 1 97 10.424 5.689 -5.805 1.00 0.00 H new ATOM 0 HZ PHE 1 97 9.214 4.011 -7.142 1.00 0.00 H new ATOM 1580 N PRO 1 98 9.447 5.076 0.734 1.00 0.00 N ATOM 1581 CA PRO 1 98 9.658 5.676 2.071 1.00 0.00 C ATOM 1582 C PRO 1 98 9.108 7.107 2.191 1.00 0.00 C ATOM 1583 O PRO 1 98 8.492 7.623 1.254 1.00 0.00 O ATOM 1584 CB PRO 1 98 11.196 5.654 2.224 1.00 0.00 C ATOM 1585 CG PRO 1 98 11.674 4.771 1.125 1.00 0.00 C ATOM 1586 CD PRO 1 98 10.727 5.011 0.005 1.00 0.00 C ATOM 0 HA PRO 1 98 9.127 5.128 2.850 1.00 0.00 H new ATOM 0 HB2 PRO 1 98 11.617 6.656 2.138 1.00 0.00 H new ATOM 0 HB3 PRO 1 98 11.491 5.267 3.199 1.00 0.00 H new ATOM 0 HG2 PRO 1 98 12.697 5.016 0.838 1.00 0.00 H new ATOM 0 HG3 PRO 1 98 11.670 3.724 1.429 1.00 0.00 H new ATOM 0 HD2 PRO 1 98 10.945 5.935 -0.530 1.00 0.00 H new ATOM 0 HD3 PRO 1 98 10.744 4.206 -0.730 1.00 0.00 H new ATOM 1594 N ARG 1 99 9.346 7.735 3.358 1.00 0.00 N ATOM 1595 CA ARG 1 99 8.878 9.098 3.652 1.00 0.00 C ATOM 1596 C ARG 1 99 9.680 10.172 2.906 1.00 0.00 C ATOM 1597 O ARG 1 99 10.826 9.947 2.512 1.00 0.00 O ATOM 1598 CB ARG 1 99 8.961 9.353 5.160 1.00 0.00 C ATOM 1599 CG ARG 1 99 7.683 9.015 5.912 1.00 0.00 C ATOM 1600 CD ARG 1 99 7.904 9.035 7.418 1.00 0.00 C ATOM 1601 NE ARG 1 99 8.453 7.766 7.911 1.00 0.00 N ATOM 1602 CZ ARG 1 99 9.153 7.625 9.047 1.00 0.00 C ATOM 1603 NH1 ARG 1 99 9.408 8.668 9.834 1.00 0.00 N ATOM 1604 NH2 ARG 1 99 9.593 6.425 9.399 1.00 0.00 N ATOM 0 H ARG 1 99 9.869 7.309 4.123 1.00 0.00 H new ATOM 0 HA ARG 1 99 7.846 9.167 3.308 1.00 0.00 H new ATOM 0 HB2 ARG 1 99 9.781 8.766 5.574 1.00 0.00 H new ATOM 0 HB3 ARG 1 99 9.204 10.402 5.329 1.00 0.00 H new ATOM 0 HG2 ARG 1 99 6.903 9.729 5.647 1.00 0.00 H new ATOM 0 HG3 ARG 1 99 7.329 8.030 5.607 1.00 0.00 H new ATOM 0 HD2 ARG 1 99 8.584 9.848 7.674 1.00 0.00 H new ATOM 0 HD3 ARG 1 99 6.959 9.240 7.920 1.00 0.00 H new ATOM 0 HE ARG 1 99 8.290 6.930 7.349 1.00 0.00 H new ATOM 0 HH11 ARG 1 99 9.069 9.595 9.577 1.00 0.00 H new ATOM 0 HH12 ARG 1 99 9.942 8.540 10.694 1.00 0.00 H new ATOM 0 HH21 ARG 1 99 9.399 5.617 8.808 1.00 0.00 H new ATOM 0 HH22 ARG 1 99 10.126 6.310 10.261 1.00 0.00 H new ATOM 1618 N ARG 1 100 9.041 11.351 2.726 1.00 0.00 N ATOM 1619 CA ARG 1 100 9.630 12.529 2.044 1.00 0.00 C ATOM 1620 C ARG 1 100 10.212 12.203 0.658 1.00 0.00 C ATOM 1621 O ARG 1 100 11.374 11.797 0.530 1.00 0.00 O ATOM 1622 CB ARG 1 100 10.691 13.213 2.931 1.00 0.00 C ATOM 1623 CG ARG 1 100 10.121 14.275 3.866 1.00 0.00 C ATOM 1624 CD ARG 1 100 10.048 15.639 3.191 1.00 0.00 C ATOM 1625 NE ARG 1 100 9.115 16.544 3.871 1.00 0.00 N ATOM 1626 CZ ARG 1 100 8.792 17.772 3.437 1.00 0.00 C ATOM 1627 NH1 ARG 1 100 9.320 18.268 2.321 1.00 0.00 N ATOM 1628 NH2 ARG 1 100 7.929 18.504 4.128 1.00 0.00 N ATOM 0 H ARG 1 100 8.089 11.514 3.054 1.00 0.00 H new ATOM 0 HA ARG 1 100 8.806 13.223 1.879 1.00 0.00 H new ATOM 0 HB2 ARG 1 100 11.198 12.453 3.526 1.00 0.00 H new ATOM 0 HB3 ARG 1 100 11.444 13.672 2.291 1.00 0.00 H new ATOM 0 HG2 ARG 1 100 9.125 13.976 4.192 1.00 0.00 H new ATOM 0 HG3 ARG 1 100 10.741 14.344 4.760 1.00 0.00 H new ATOM 0 HD2 ARG 1 100 11.041 16.088 3.175 1.00 0.00 H new ATOM 0 HD3 ARG 1 100 9.738 15.513 2.153 1.00 0.00 H new ATOM 0 HE ARG 1 100 8.681 16.217 4.734 1.00 0.00 H new ATOM 0 HH11 ARG 1 100 9.982 17.713 1.780 1.00 0.00 H new ATOM 0 HH12 ARG 1 100 9.062 19.204 2.007 1.00 0.00 H new ATOM 0 HH21 ARG 1 100 7.515 18.133 4.983 1.00 0.00 H new ATOM 0 HH22 ARG 1 100 7.679 19.438 3.804 1.00 0.00 H new ATOM 1642 N ALA 1 101 9.371 12.364 -0.369 1.00 0.00 N ATOM 1643 CA ALA 1 101 9.759 12.127 -1.747 1.00 0.00 C ATOM 1644 C ALA 1 101 9.783 13.441 -2.541 1.00 0.00 C ATOM 1645 O ALA 1 101 9.570 14.517 -1.972 1.00 0.00 O ATOM 1646 CB ALA 1 101 8.822 11.107 -2.390 1.00 0.00 C ATOM 0 H ALA 1 101 8.402 12.663 -0.259 1.00 0.00 H new ATOM 0 HA ALA 1 101 10.769 11.717 -1.760 1.00 0.00 H new ATOM 0 HB1 ALA 1 101 9.123 10.937 -3.424 1.00 0.00 H new ATOM 0 HB2 ALA 1 101 8.873 10.168 -1.839 1.00 0.00 H new ATOM 0 HB3 ALA 1 101 7.800 11.486 -2.367 1.00 0.00 H new ATOM 1652 N GLN 1 102 10.045 13.349 -3.853 1.00 0.00 N ATOM 1653 CA GLN 1 102 10.085 14.527 -4.723 1.00 0.00 C ATOM 1654 C GLN 1 102 8.886 14.532 -5.683 1.00 0.00 C ATOM 1655 O GLN 1 102 8.663 13.541 -6.387 1.00 0.00 O ATOM 1656 CB GLN 1 102 11.392 14.576 -5.516 1.00 0.00 C ATOM 1657 CG GLN 1 102 12.591 15.022 -4.693 1.00 0.00 C ATOM 1658 CD GLN 1 102 13.826 15.250 -5.540 1.00 0.00 C ATOM 1659 OE1 GLN 1 102 14.065 16.356 -6.027 1.00 0.00 O ATOM 1660 NE2 GLN 1 102 14.620 14.201 -5.724 1.00 0.00 N ATOM 0 H GLN 1 102 10.232 12.468 -4.333 1.00 0.00 H new ATOM 0 HA GLN 1 102 10.031 15.413 -4.090 1.00 0.00 H new ATOM 0 HB2 GLN 1 102 11.593 13.587 -5.929 1.00 0.00 H new ATOM 0 HB3 GLN 1 102 11.269 15.255 -6.360 1.00 0.00 H new ATOM 0 HG2 GLN 1 102 12.342 15.942 -4.165 1.00 0.00 H new ATOM 0 HG3 GLN 1 102 12.808 14.268 -3.936 1.00 0.00 H new ATOM 0 HE21 GLN 1 102 14.384 13.303 -5.302 1.00 0.00 H new ATOM 0 HE22 GLN 1 102 15.465 14.294 -6.287 1.00 0.00 H new ATOM 1669 N PRO 1 103 8.082 15.641 -5.723 1.00 0.00 N ATOM 1670 CA PRO 1 103 6.910 15.738 -6.613 1.00 0.00 C ATOM 1671 C PRO 1 103 7.283 16.014 -8.080 1.00 0.00 C ATOM 1672 O PRO 1 103 8.451 16.259 -8.394 1.00 0.00 O ATOM 1673 CB PRO 1 103 6.122 16.912 -6.015 1.00 0.00 C ATOM 1674 CG PRO 1 103 7.153 17.790 -5.396 1.00 0.00 C ATOM 1675 CD PRO 1 103 8.240 16.873 -4.898 1.00 0.00 C ATOM 0 HA PRO 1 103 6.352 14.803 -6.655 1.00 0.00 H new ATOM 0 HB2 PRO 1 103 5.561 17.443 -6.784 1.00 0.00 H new ATOM 0 HB3 PRO 1 103 5.401 16.567 -5.274 1.00 0.00 H new ATOM 0 HG2 PRO 1 103 7.546 18.501 -6.122 1.00 0.00 H new ATOM 0 HG3 PRO 1 103 6.729 18.372 -4.578 1.00 0.00 H new ATOM 0 HD2 PRO 1 103 9.227 17.317 -5.029 1.00 0.00 H new ATOM 0 HD3 PRO 1 103 8.125 16.659 -3.835 1.00 0.00 H new ATOM 1683 N LYS 1 104 6.271 15.981 -8.959 1.00 0.00 N ATOM 1684 CA LYS 1 104 6.460 16.225 -10.394 1.00 0.00 C ATOM 1685 C LYS 1 104 6.436 17.722 -10.702 1.00 0.00 C ATOM 1686 O LYS 1 104 5.775 18.496 -10.002 1.00 0.00 O ATOM 1687 CB LYS 1 104 5.367 15.518 -11.205 1.00 0.00 C ATOM 1688 CG LYS 1 104 5.518 14.005 -11.263 1.00 0.00 C ATOM 1689 CD LYS 1 104 4.306 13.353 -11.922 1.00 0.00 C ATOM 1690 CE LYS 1 104 4.702 12.452 -13.085 1.00 0.00 C ATOM 1691 NZ LYS 1 104 5.400 11.215 -12.632 1.00 0.00 N ATOM 0 H LYS 1 104 5.305 15.786 -8.696 1.00 0.00 H new ATOM 0 HA LYS 1 104 7.434 15.825 -10.675 1.00 0.00 H new ATOM 0 HB2 LYS 1 104 4.396 15.759 -10.773 1.00 0.00 H new ATOM 0 HB3 LYS 1 104 5.371 15.912 -12.221 1.00 0.00 H new ATOM 0 HG2 LYS 1 104 6.419 13.748 -11.819 1.00 0.00 H new ATOM 0 HG3 LYS 1 104 5.643 13.611 -10.255 1.00 0.00 H new ATOM 0 HD2 LYS 1 104 3.761 12.769 -11.180 1.00 0.00 H new ATOM 0 HD3 LYS 1 104 3.627 14.128 -12.279 1.00 0.00 H new ATOM 0 HE2 LYS 1 104 3.810 12.177 -13.649 1.00 0.00 H new ATOM 0 HE3 LYS 1 104 5.351 13.004 -13.765 1.00 0.00 H new ATOM 0 HZ1 LYS 1 104 5.649 10.635 -13.458 1.00 0.00 H new ATOM 0 HZ2 LYS 1 104 6.266 11.474 -12.117 1.00 0.00 H new ATOM 0 HZ3 LYS 1 104 4.773 10.672 -12.004 1.00 0.00 H new ATOM 1705 N MET 1 105 7.165 18.119 -11.750 1.00 0.00 N ATOM 1706 CA MET 1 105 7.238 19.529 -12.162 1.00 0.00 C ATOM 1707 C MET 1 105 6.959 19.704 -13.659 1.00 0.00 C ATOM 1708 O MET 1 105 6.715 20.823 -14.122 1.00 0.00 O ATOM 1709 CB MET 1 105 8.604 20.147 -11.786 1.00 0.00 C ATOM 1710 CG MET 1 105 9.830 19.358 -12.257 1.00 0.00 C ATOM 1711 SD MET 1 105 11.388 20.197 -11.899 1.00 0.00 S ATOM 1712 CE MET 1 105 11.450 21.406 -13.221 1.00 0.00 C ATOM 0 H MET 1 105 7.714 17.485 -12.330 1.00 0.00 H new ATOM 0 HA MET 1 105 6.457 20.062 -11.619 1.00 0.00 H new ATOM 0 HB2 MET 1 105 8.657 21.152 -12.203 1.00 0.00 H new ATOM 0 HB3 MET 1 105 8.652 20.249 -10.702 1.00 0.00 H new ATOM 0 HG2 MET 1 105 9.832 18.379 -11.777 1.00 0.00 H new ATOM 0 HG3 MET 1 105 9.754 19.186 -13.331 1.00 0.00 H new ATOM 0 HE1 MET 1 105 12.368 21.987 -13.140 1.00 0.00 H new ATOM 0 HE2 MET 1 105 11.428 20.894 -14.183 1.00 0.00 H new ATOM 0 HE3 MET 1 105 10.591 22.073 -13.145 1.00 0.00 H new ATOM 1722 N VAL 1 106 7.007 18.596 -14.400 1.00 0.00 N ATOM 1723 CA VAL 1 106 6.761 18.603 -15.840 1.00 0.00 C ATOM 1724 C VAL 1 106 5.319 18.165 -16.130 1.00 0.00 C ATOM 1725 O VAL 1 106 4.671 17.533 -15.288 1.00 0.00 O ATOM 1726 CB VAL 1 106 7.755 17.674 -16.600 1.00 0.00 C ATOM 1727 CG1 VAL 1 106 7.841 18.037 -18.081 1.00 0.00 C ATOM 1728 CG2 VAL 1 106 9.149 17.704 -15.979 1.00 0.00 C ATOM 0 H VAL 1 106 7.217 17.673 -14.020 1.00 0.00 H new ATOM 0 HA VAL 1 106 6.914 19.622 -16.195 1.00 0.00 H new ATOM 0 HB VAL 1 106 7.361 16.661 -16.511 1.00 0.00 H new ATOM 0 HG11 VAL 1 106 8.543 17.369 -18.579 1.00 0.00 H new ATOM 0 HG12 VAL 1 106 6.857 17.936 -18.538 1.00 0.00 H new ATOM 0 HG13 VAL 1 106 8.185 19.066 -18.184 1.00 0.00 H new ATOM 0 HG21 VAL 1 106 9.811 17.043 -16.539 1.00 0.00 H new ATOM 0 HG22 VAL 1 106 9.540 18.721 -16.011 1.00 0.00 H new ATOM 0 HG23 VAL 1 106 9.093 17.369 -14.943 1.00 0.00 H new ATOM 1738 N THR 1 107 4.836 18.501 -17.327 1.00 0.00 N ATOM 1739 CA THR 1 107 3.495 18.162 -17.749 1.00 0.00 C ATOM 1740 C THR 1 107 3.528 17.086 -18.845 1.00 0.00 C ATOM 1741 O THR 1 107 2.899 16.033 -18.704 1.00 0.00 O ATOM 1742 CB THR 1 107 2.734 19.419 -18.245 1.00 0.00 C ATOM 1743 OG1 THR 1 107 3.037 20.541 -17.404 1.00 0.00 O ATOM 1744 CG2 THR 1 107 1.221 19.202 -18.253 1.00 0.00 C ATOM 0 H THR 1 107 5.372 19.016 -18.025 1.00 0.00 H new ATOM 0 HA THR 1 107 2.962 17.761 -16.887 1.00 0.00 H new ATOM 0 HB THR 1 107 3.061 19.612 -19.267 1.00 0.00 H new ATOM 0 HG1 THR 1 107 2.554 21.331 -17.725 1.00 0.00 H new ATOM 0 HG21 THR 1 107 0.726 20.106 -18.607 1.00 0.00 H new ATOM 0 HG22 THR 1 107 0.976 18.371 -18.915 1.00 0.00 H new ATOM 0 HG23 THR 1 107 0.881 18.974 -17.243 1.00 0.00 H new ATOM 1752 N ARG 1 108 4.264 17.368 -19.929 1.00 0.00 N ATOM 1753 CA ARG 1 108 4.391 16.438 -21.053 1.00 0.00 C ATOM 1754 C ARG 1 108 5.682 15.632 -20.961 1.00 0.00 C ATOM 1755 O ARG 1 108 6.722 16.158 -20.554 1.00 0.00 O ATOM 1756 CB ARG 1 108 4.343 17.196 -22.380 1.00 0.00 C ATOM 1757 CG ARG 1 108 2.935 17.407 -22.912 1.00 0.00 C ATOM 1758 CD ARG 1 108 2.947 18.173 -24.225 1.00 0.00 C ATOM 1759 NE ARG 1 108 1.652 18.109 -24.911 1.00 0.00 N ATOM 1760 CZ ARG 1 108 1.441 18.495 -26.176 1.00 0.00 C ATOM 1761 NH1 ARG 1 108 2.432 18.981 -26.922 1.00 0.00 N ATOM 1762 NH2 ARG 1 108 0.228 18.390 -26.701 1.00 0.00 N ATOM 0 H ARG 1 108 4.782 18.239 -20.049 1.00 0.00 H new ATOM 0 HA ARG 1 108 3.552 15.744 -21.007 1.00 0.00 H new ATOM 0 HB2 ARG 1 108 4.823 18.166 -22.252 1.00 0.00 H new ATOM 0 HB3 ARG 1 108 4.924 16.649 -23.122 1.00 0.00 H new ATOM 0 HG2 ARG 1 108 2.451 16.441 -23.057 1.00 0.00 H new ATOM 0 HG3 ARG 1 108 2.344 17.953 -22.176 1.00 0.00 H new ATOM 0 HD2 ARG 1 108 3.205 19.215 -24.035 1.00 0.00 H new ATOM 0 HD3 ARG 1 108 3.722 17.766 -24.875 1.00 0.00 H new ATOM 0 HE ARG 1 108 0.856 17.745 -24.388 1.00 0.00 H new ATOM 0 HH11 ARG 1 108 3.371 19.064 -26.532 1.00 0.00 H new ATOM 0 HH12 ARG 1 108 2.252 19.270 -27.884 1.00 0.00 H new ATOM 0 HH21 ARG 1 108 -0.539 18.017 -26.142 1.00 0.00 H new ATOM 0 HH22 ARG 1 108 0.062 18.683 -27.664 1.00 0.00 H new ATOM 1776 N THR 1 109 5.599 14.353 -21.343 1.00 0.00 N ATOM 1777 CA THR 1 109 6.752 13.448 -21.313 1.00 0.00 C ATOM 1778 C THR 1 109 7.359 13.275 -22.704 1.00 0.00 C ATOM 1779 O THR 1 109 6.677 12.843 -23.638 1.00 0.00 O ATOM 1780 CB THR 1 109 6.370 12.057 -20.760 1.00 0.00 C ATOM 1781 OG1 THR 1 109 5.171 11.589 -21.389 1.00 0.00 O ATOM 1782 CG2 THR 1 109 6.178 12.099 -19.249 1.00 0.00 C ATOM 0 H THR 1 109 4.739 13.919 -21.679 1.00 0.00 H new ATOM 0 HA THR 1 109 7.487 13.906 -20.651 1.00 0.00 H new ATOM 0 HB THR 1 109 7.187 11.371 -20.982 1.00 0.00 H new ATOM 0 HG1 THR 1 109 5.208 11.783 -22.349 1.00 0.00 H new ATOM 0 HG21 THR 1 109 5.910 11.106 -18.889 1.00 0.00 H new ATOM 0 HG22 THR 1 109 7.105 12.420 -18.773 1.00 0.00 H new ATOM 0 HG23 THR 1 109 5.382 12.802 -19.003 1.00 0.00 H new ATOM 1790 N LYS 1 110 8.646 13.623 -22.828 1.00 0.00 N ATOM 1791 CA LYS 1 110 9.374 13.510 -24.085 1.00 0.00 C ATOM 1792 C LYS 1 110 10.068 12.154 -24.207 1.00 0.00 C ATOM 1793 O LYS 1 110 10.498 11.578 -23.202 1.00 0.00 O ATOM 1794 CB LYS 1 110 10.406 14.633 -24.212 1.00 0.00 C ATOM 1795 CG LYS 1 110 9.815 15.966 -24.643 1.00 0.00 C ATOM 1796 CD LYS 1 110 10.903 17.001 -24.886 1.00 0.00 C ATOM 1797 CE LYS 1 110 10.335 18.295 -25.454 1.00 0.00 C ATOM 1798 NZ LYS 1 110 9.595 19.084 -24.430 1.00 0.00 N ATOM 0 H LYS 1 110 9.205 13.989 -22.058 1.00 0.00 H new ATOM 0 HA LYS 1 110 8.648 13.598 -24.893 1.00 0.00 H new ATOM 0 HB2 LYS 1 110 10.908 14.762 -23.253 1.00 0.00 H new ATOM 0 HB3 LYS 1 110 11.167 14.334 -24.933 1.00 0.00 H new ATOM 0 HG2 LYS 1 110 9.230 15.830 -25.553 1.00 0.00 H new ATOM 0 HG3 LYS 1 110 9.131 16.328 -23.876 1.00 0.00 H new ATOM 0 HD2 LYS 1 110 11.421 17.211 -23.950 1.00 0.00 H new ATOM 0 HD3 LYS 1 110 11.643 16.595 -25.576 1.00 0.00 H new ATOM 0 HE2 LYS 1 110 11.147 18.899 -25.858 1.00 0.00 H new ATOM 0 HE3 LYS 1 110 9.667 18.063 -26.283 1.00 0.00 H new ATOM 0 HZ1 LYS 1 110 9.227 19.955 -24.862 1.00 0.00 H new ATOM 0 HZ2 LYS 1 110 8.803 18.519 -24.062 1.00 0.00 H new ATOM 0 HZ3 LYS 1 110 10.237 19.329 -23.650 1.00 0.00 H new ATOM 1812 N LYS 1 111 10.171 11.657 -25.445 1.00 0.00 N ATOM 1813 CA LYS 1 111 10.811 10.380 -25.728 1.00 0.00 C ATOM 1814 C LYS 1 111 12.316 10.547 -25.956 1.00 0.00 C ATOM 1815 O LYS 1 111 12.701 11.263 -26.907 1.00 0.00 O ATOM 1816 CB LYS 1 111 10.161 9.711 -26.943 1.00 0.00 C ATOM 1817 CG LYS 1 111 9.187 8.603 -26.579 1.00 0.00 C ATOM 1818 CD LYS 1 111 8.598 7.948 -27.821 1.00 0.00 C ATOM 1819 CE LYS 1 111 7.817 6.686 -27.476 1.00 0.00 C ATOM 1820 NZ LYS 1 111 8.714 5.548 -27.130 1.00 0.00 N ATOM 1821 OXT LYS 1 111 13.098 9.960 -25.178 1.00 0.00 O ATOM 0 H LYS 1 111 9.812 12.132 -26.273 1.00 0.00 H new ATOM 0 HA LYS 1 111 10.672 9.740 -24.857 1.00 0.00 H new ATOM 0 HB2 LYS 1 111 9.636 10.468 -27.526 1.00 0.00 H new ATOM 0 HB3 LYS 1 111 10.942 9.301 -27.583 1.00 0.00 H new ATOM 0 HG2 LYS 1 111 9.698 7.851 -25.977 1.00 0.00 H new ATOM 0 HG3 LYS 1 111 8.384 9.010 -25.965 1.00 0.00 H new ATOM 0 HD2 LYS 1 111 7.942 8.655 -28.329 1.00 0.00 H new ATOM 0 HD3 LYS 1 111 9.400 7.701 -28.517 1.00 0.00 H new ATOM 0 HE2 LYS 1 111 7.151 6.890 -26.637 1.00 0.00 H new ATOM 0 HE3 LYS 1 111 7.188 6.407 -28.321 1.00 0.00 H new ATOM 0 HZ1 LYS 1 111 8.147 4.686 -27.002 1.00 0.00 H new ATOM 0 HZ2 LYS 1 111 9.400 5.401 -27.898 1.00 0.00 H new ATOM 0 HZ3 LYS 1 111 9.222 5.762 -26.248 1.00 0.00 H new TER 1835 LYS 1 111