USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=24 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 -170:sc= -1.43! USER MOD Set 1.2: 1 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: 1 1 HIS : no HD1:sc= -0.146 X(o=-0.28,f=0) USER MOD Set 2.2: 1 3 HIS : no HD1:sc= -0.137 X(o=-0.28,f=0) USER MOD Single : 1 0 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 2 HIS : no HD1:sc= -0.033 X(o=-0.033,f=-0.22) USER MOD Single : 1 4 SER OG : rot 180:sc= 0 USER MOD Single : 1 5 THR OG1 : rot 45:sc= 0.0487 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=-0.0044) USER MOD Single : 1 -3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : 1 -3 MET N :NH3+ -122:sc= -0.199 (180deg=-0.705) USER MOD Single : 1 11 THR OG1 : rot -21:sc= 0.654 USER MOD Single : 1 13 ASN : amide:sc= -0.208 K(o=-0.21,f=0.85) 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= -0.0181 X(o=-0.018,f=-0.17) USER MOD Single : 1 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 23 MET CE :methyl 149:sc= -0.436 (180deg=-3.08!) USER MOD Single : 1 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 32 THR OG1 : rot -50:sc= -3.22! 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 -47:sc= 0.0174 USER MOD Single : 1 42 SER OG : rot 91:sc= -0.321! USER MOD Single : 1 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 50 CYS SG : rot 28:sc= -3.8! 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= 0.00346 USER MOD Single : 1 58 THR OG1 : rot -170:sc= -0.605 USER MOD Single : 1 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 61 SER OG : rot 180:sc=0.000456 USER MOD Single : 1 68 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 74 SER OG : rot -159:sc= -0.0201! USER MOD Single : 1 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 81 GLN : amide:sc= -1.08 K(o=-1.1,f=-2.4) USER MOD Single : 1 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : 1 84 HIS : no HD1:sc= 0 X(o=0,f=-0.042) USER MOD Single : 1 88 SER OG : rot 180:sc= 0 USER MOD Single : 1 90 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : 1 107 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 109 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET 1 -3 17.092 -26.437 15.021 1.00 0.00 N ATOM 2 CA MET 1 -3 17.850 -26.816 16.243 1.00 0.00 C ATOM 3 C MET 1 -3 19.301 -26.338 16.173 1.00 0.00 C ATOM 4 O MET 1 -3 19.841 -25.846 17.167 1.00 0.00 O ATOM 5 CB MET 1 -3 17.813 -28.334 16.441 1.00 0.00 C ATOM 6 CG MET 1 -3 16.543 -28.834 17.112 1.00 0.00 C ATOM 7 SD MET 1 -3 16.546 -30.620 17.352 1.00 0.00 S ATOM 8 CE MET 1 -3 15.039 -30.842 18.293 1.00 0.00 C ATOM 0 H1 MET 1 -3 16.271 -25.858 15.288 1.00 0.00 H new ATOM 0 H2 MET 1 -3 17.708 -25.892 14.385 1.00 0.00 H new ATOM 0 H3 MET 1 -3 16.766 -27.296 14.534 1.00 0.00 H new ATOM 0 HA MET 1 -3 17.372 -26.328 17.093 1.00 0.00 H new ATOM 0 HB2 MET 1 -3 17.916 -28.820 15.471 1.00 0.00 H new ATOM 0 HB3 MET 1 -3 18.672 -28.634 17.041 1.00 0.00 H new ATOM 0 HG2 MET 1 -3 16.428 -28.341 18.077 1.00 0.00 H new ATOM 0 HG3 MET 1 -3 15.681 -28.554 16.506 1.00 0.00 H new ATOM 0 HE1 MET 1 -3 14.903 -31.900 18.518 1.00 0.00 H new ATOM 0 HE2 MET 1 -3 15.105 -30.278 19.224 1.00 0.00 H new ATOM 0 HE3 MET 1 -3 14.190 -30.483 17.711 1.00 0.00 H new ATOM 20 N HIS 1 -2 19.925 -26.488 14.994 1.00 0.00 N ATOM 21 CA HIS 1 -2 21.321 -26.081 14.791 1.00 0.00 C ATOM 22 C HIS 1 -2 21.517 -25.351 13.461 1.00 0.00 C ATOM 23 O HIS 1 -2 22.285 -24.387 13.389 1.00 0.00 O ATOM 24 CB HIS 1 -2 22.251 -27.299 14.849 1.00 0.00 C ATOM 25 CG HIS 1 -2 22.413 -27.871 16.224 1.00 0.00 C ATOM 26 ND1 HIS 1 -2 21.764 -29.013 16.645 1.00 0.00 N ATOM 27 CD2 HIS 1 -2 23.159 -27.455 17.275 1.00 0.00 C ATOM 28 CE1 HIS 1 -2 22.104 -29.273 17.896 1.00 0.00 C ATOM 29 NE2 HIS 1 -2 22.950 -28.344 18.299 1.00 0.00 N ATOM 0 H HIS 1 -2 19.483 -26.889 14.167 1.00 0.00 H new ATOM 0 HA HIS 1 -2 21.572 -25.391 15.596 1.00 0.00 H new ATOM 0 HB2 HIS 1 -2 21.862 -28.073 14.187 1.00 0.00 H new ATOM 0 HB3 HIS 1 -2 23.231 -27.015 14.466 1.00 0.00 H new ATOM 0 HD2 HIS 1 -2 23.799 -26.586 17.302 1.00 0.00 H new ATOM 0 HE1 HIS 1 -2 21.750 -30.104 18.487 1.00 0.00 H new ATOM 0 HE2 HIS 1 -2 23.379 -28.295 19.223 1.00 0.00 H new ATOM 38 N HIS 1 -1 20.820 -25.814 12.413 1.00 0.00 N ATOM 39 CA HIS 1 -1 20.927 -25.218 11.076 1.00 0.00 C ATOM 40 C HIS 1 -1 19.927 -24.076 10.873 1.00 0.00 C ATOM 41 O HIS 1 -1 20.286 -23.026 10.330 1.00 0.00 O ATOM 42 CB HIS 1 -1 20.724 -26.288 9.996 1.00 0.00 C ATOM 43 CG HIS 1 -1 21.872 -27.241 9.870 1.00 0.00 C ATOM 44 ND1 HIS 1 -1 21.969 -28.405 10.603 1.00 0.00 N ATOM 45 CD2 HIS 1 -1 22.976 -27.199 9.087 1.00 0.00 C ATOM 46 CE1 HIS 1 -1 23.083 -29.037 10.278 1.00 0.00 C ATOM 47 NE2 HIS 1 -1 23.711 -28.326 9.359 1.00 0.00 N ATOM 0 H HIS 1 -1 20.175 -26.602 12.468 1.00 0.00 H new ATOM 0 HA HIS 1 -1 21.930 -24.800 10.989 1.00 0.00 H new ATOM 0 HB2 HIS 1 -1 19.818 -26.851 10.221 1.00 0.00 H new ATOM 0 HB3 HIS 1 -1 20.564 -25.797 9.036 1.00 0.00 H new ATOM 0 HD2 HIS 1 -1 23.231 -26.423 8.380 1.00 0.00 H new ATOM 0 HE1 HIS 1 -1 23.422 -29.975 10.693 1.00 0.00 H new ATOM 0 HE2 HIS 1 -1 24.599 -28.574 8.922 1.00 0.00 H new ATOM 56 N HIS 1 0 18.680 -24.287 11.310 1.00 0.00 N ATOM 57 CA HIS 1 0 17.626 -23.279 11.170 1.00 0.00 C ATOM 58 C HIS 1 0 17.448 -22.461 12.450 1.00 0.00 C ATOM 59 O HIS 1 0 17.255 -21.244 12.387 1.00 0.00 O ATOM 60 CB HIS 1 0 16.299 -23.938 10.782 1.00 0.00 C ATOM 61 CG HIS 1 0 16.252 -24.404 9.358 1.00 0.00 C ATOM 62 ND1 HIS 1 0 16.030 -23.554 8.295 1.00 0.00 N ATOM 63 CD2 HIS 1 0 16.398 -25.641 8.825 1.00 0.00 C ATOM 64 CE1 HIS 1 0 16.041 -24.247 7.170 1.00 0.00 C ATOM 65 NE2 HIS 1 0 16.263 -25.515 7.465 1.00 0.00 N ATOM 0 H HIS 1 0 18.377 -25.149 11.764 1.00 0.00 H new ATOM 0 HA HIS 1 0 17.934 -22.598 10.377 1.00 0.00 H new ATOM 0 HB2 HIS 1 0 16.120 -24.789 11.440 1.00 0.00 H new ATOM 0 HB3 HIS 1 0 15.488 -23.229 10.950 1.00 0.00 H new ATOM 0 HD2 HIS 1 0 16.586 -26.555 9.369 1.00 0.00 H new ATOM 0 HE1 HIS 1 0 15.894 -23.845 6.178 1.00 0.00 H new ATOM 0 HE2 HIS 1 0 16.324 -26.278 6.791 1.00 0.00 H new ATOM 74 N HIS 1 1 17.511 -23.136 13.604 1.00 0.00 N ATOM 75 CA HIS 1 1 17.349 -22.474 14.897 1.00 0.00 C ATOM 76 C HIS 1 1 18.677 -22.402 15.648 1.00 0.00 C ATOM 77 O HIS 1 1 19.445 -23.369 15.663 1.00 0.00 O ATOM 78 CB HIS 1 1 16.307 -23.214 15.741 1.00 0.00 C ATOM 79 CG HIS 1 1 15.512 -22.316 16.637 1.00 0.00 C ATOM 80 ND1 HIS 1 1 14.259 -21.844 16.309 1.00 0.00 N ATOM 81 CD2 HIS 1 1 15.799 -21.801 17.857 1.00 0.00 C ATOM 82 CE1 HIS 1 1 13.810 -21.076 17.287 1.00 0.00 C ATOM 83 NE2 HIS 1 1 14.724 -21.035 18.236 1.00 0.00 N ATOM 0 H HIS 1 1 17.673 -24.141 13.665 1.00 0.00 H new ATOM 0 HA HIS 1 1 17.005 -21.456 14.716 1.00 0.00 H new ATOM 0 HB2 HIS 1 1 15.626 -23.746 15.077 1.00 0.00 H new ATOM 0 HB3 HIS 1 1 16.811 -23.965 16.349 1.00 0.00 H new ATOM 0 HD2 HIS 1 1 16.703 -21.963 18.425 1.00 0.00 H new ATOM 0 HE1 HIS 1 1 12.857 -20.569 17.305 1.00 0.00 H new ATOM 0 HE2 HIS 1 1 14.645 -20.517 19.111 1.00 0.00 H new ATOM 92 N HIS 1 2 18.931 -21.245 16.267 1.00 0.00 N ATOM 93 CA HIS 1 2 20.156 -21.014 17.034 1.00 0.00 C ATOM 94 C HIS 1 2 19.833 -20.536 18.446 1.00 0.00 C ATOM 95 O HIS 1 2 19.033 -19.611 18.626 1.00 0.00 O ATOM 96 CB HIS 1 2 21.040 -19.983 16.328 1.00 0.00 C ATOM 97 CG HIS 1 2 21.758 -20.522 15.130 1.00 0.00 C ATOM 98 ND1 HIS 1 2 21.109 -20.939 13.986 1.00 0.00 N ATOM 99 CD2 HIS 1 2 23.079 -20.713 14.900 1.00 0.00 C ATOM 100 CE1 HIS 1 2 21.999 -21.363 13.106 1.00 0.00 C ATOM 101 NE2 HIS 1 2 23.201 -21.236 13.637 1.00 0.00 N ATOM 0 H HIS 1 2 18.296 -20.447 16.250 1.00 0.00 H new ATOM 0 HA HIS 1 2 20.693 -21.960 17.102 1.00 0.00 H new ATOM 0 HB2 HIS 1 2 20.423 -19.139 16.021 1.00 0.00 H new ATOM 0 HB3 HIS 1 2 21.773 -19.600 17.038 1.00 0.00 H new ATOM 0 HD2 HIS 1 2 23.886 -20.494 15.583 1.00 0.00 H new ATOM 0 HE1 HIS 1 2 21.780 -21.748 12.121 1.00 0.00 H new ATOM 0 HE2 HIS 1 2 24.079 -21.486 13.182 1.00 0.00 H new ATOM 110 N HIS 1 3 20.458 -21.176 19.439 1.00 0.00 N ATOM 111 CA HIS 1 3 20.250 -20.825 20.845 1.00 0.00 C ATOM 112 C HIS 1 3 21.554 -20.368 21.499 1.00 0.00 C ATOM 113 O HIS 1 3 22.522 -21.129 21.582 1.00 0.00 O ATOM 114 CB HIS 1 3 19.662 -22.013 21.612 1.00 0.00 C ATOM 115 CG HIS 1 3 18.166 -22.066 21.579 1.00 0.00 C ATOM 116 ND1 HIS 1 3 17.369 -21.335 22.435 1.00 0.00 N ATOM 117 CD2 HIS 1 3 17.319 -22.769 20.788 1.00 0.00 C ATOM 118 CE1 HIS 1 3 16.099 -21.585 22.173 1.00 0.00 C ATOM 119 NE2 HIS 1 3 16.042 -22.451 21.178 1.00 0.00 N ATOM 0 H HIS 1 3 21.115 -21.943 19.293 1.00 0.00 H new ATOM 0 HA HIS 1 3 19.543 -19.996 20.882 1.00 0.00 H new ATOM 0 HB2 HIS 1 3 20.059 -22.938 21.193 1.00 0.00 H new ATOM 0 HB3 HIS 1 3 19.993 -21.965 22.649 1.00 0.00 H new ATOM 0 HD2 HIS 1 3 17.597 -23.452 19.999 1.00 0.00 H new ATOM 0 HE1 HIS 1 3 15.251 -21.154 22.685 1.00 0.00 H new ATOM 0 HE2 HIS 1 3 15.187 -22.824 20.766 1.00 0.00 H new ATOM 128 N SER 1 4 21.563 -19.107 21.942 1.00 0.00 N ATOM 129 CA SER 1 4 22.728 -18.508 22.600 1.00 0.00 C ATOM 130 C SER 1 4 22.325 -17.834 23.913 1.00 0.00 C ATOM 131 O SER 1 4 21.156 -17.482 24.103 1.00 0.00 O ATOM 132 CB SER 1 4 23.394 -17.490 21.670 1.00 0.00 C ATOM 133 OG SER 1 4 23.834 -18.105 20.472 1.00 0.00 O ATOM 0 H SER 1 4 20.767 -18.475 21.855 1.00 0.00 H new ATOM 0 HA SER 1 4 23.439 -19.303 22.826 1.00 0.00 H new ATOM 0 HB2 SER 1 4 22.690 -16.692 21.435 1.00 0.00 H new ATOM 0 HB3 SER 1 4 24.241 -17.028 22.178 1.00 0.00 H new ATOM 0 HG SER 1 4 24.254 -17.434 19.895 1.00 0.00 H new ATOM 139 N THR 1 5 23.300 -17.671 24.824 1.00 0.00 N ATOM 140 CA THR 1 5 23.076 -17.038 26.116 1.00 0.00 C ATOM 141 C THR 1 5 23.080 -15.513 25.997 1.00 0.00 C ATOM 142 O THR 1 5 24.082 -14.915 25.589 1.00 0.00 O ATOM 143 CB THR 1 5 24.158 -17.472 27.120 1.00 0.00 C ATOM 144 OG1 THR 1 5 25.442 -17.521 26.485 1.00 0.00 O ATOM 145 CG2 THR 1 5 23.832 -18.830 27.725 1.00 0.00 C ATOM 0 H THR 1 5 24.262 -17.977 24.676 1.00 0.00 H new ATOM 0 HA THR 1 5 22.096 -17.357 26.472 1.00 0.00 H new ATOM 0 HB THR 1 5 24.183 -16.733 27.921 1.00 0.00 H new ATOM 0 HG1 THR 1 5 25.563 -16.723 25.930 1.00 0.00 H new ATOM 0 HG21 THR 1 5 24.614 -19.111 28.431 1.00 0.00 H new ATOM 0 HG22 THR 1 5 22.876 -18.776 28.245 1.00 0.00 H new ATOM 0 HG23 THR 1 5 23.773 -19.576 26.933 1.00 0.00 H new ATOM 153 N SER 1 6 21.947 -14.899 26.355 1.00 0.00 N ATOM 154 CA SER 1 6 21.787 -13.444 26.281 1.00 0.00 C ATOM 155 C SER 1 6 22.089 -12.773 27.616 1.00 0.00 C ATOM 156 O SER 1 6 21.756 -13.304 28.679 1.00 0.00 O ATOM 157 CB SER 1 6 20.367 -13.092 25.838 1.00 0.00 C ATOM 158 OG SER 1 6 20.076 -13.649 24.568 1.00 0.00 O ATOM 0 H SER 1 6 21.123 -15.391 26.701 1.00 0.00 H new ATOM 0 HA SER 1 6 22.503 -13.073 25.548 1.00 0.00 H new ATOM 0 HB2 SER 1 6 19.652 -13.461 26.573 1.00 0.00 H new ATOM 0 HB3 SER 1 6 20.253 -12.009 25.798 1.00 0.00 H new ATOM 0 HG SER 1 6 19.162 -13.411 24.308 1.00 0.00 H new ATOM 164 N VAL 1 7 22.724 -11.601 27.537 1.00 0.00 N ATOM 165 CA VAL 1 7 23.078 -10.813 28.720 1.00 0.00 C ATOM 166 C VAL 1 7 22.292 -9.493 28.704 1.00 0.00 C ATOM 167 O VAL 1 7 21.652 -9.134 29.696 1.00 0.00 O ATOM 168 CB VAL 1 7 24.613 -10.527 28.790 1.00 0.00 C ATOM 169 CG1 VAL 1 7 25.007 -9.892 30.124 1.00 0.00 C ATOM 170 CG2 VAL 1 7 25.425 -11.801 28.568 1.00 0.00 C ATOM 0 H VAL 1 7 23.006 -11.173 26.655 1.00 0.00 H new ATOM 0 HA VAL 1 7 22.816 -11.391 29.606 1.00 0.00 H new ATOM 0 HB VAL 1 7 24.839 -9.821 27.990 1.00 0.00 H new ATOM 0 HG11 VAL 1 7 26.081 -9.708 30.136 1.00 0.00 H new ATOM 0 HG12 VAL 1 7 24.476 -8.949 30.249 1.00 0.00 H new ATOM 0 HG13 VAL 1 7 24.746 -10.566 30.939 1.00 0.00 H new ATOM 0 HG21 VAL 1 7 26.489 -11.569 28.623 1.00 0.00 H new ATOM 0 HG22 VAL 1 7 25.173 -12.532 29.337 1.00 0.00 H new ATOM 0 HG23 VAL 1 7 25.194 -12.213 27.586 1.00 0.00 H new ATOM 180 N ASP 1 8 22.346 -8.790 27.562 1.00 0.00 N ATOM 181 CA ASP 1 8 21.646 -7.513 27.383 1.00 0.00 C ATOM 182 C ASP 1 8 20.222 -7.732 26.872 1.00 0.00 C ATOM 183 O ASP 1 8 19.960 -8.688 26.136 1.00 0.00 O ATOM 184 CB ASP 1 8 22.415 -6.616 26.409 1.00 0.00 C ATOM 185 CG ASP 1 8 23.679 -6.043 27.021 1.00 0.00 C ATOM 186 OD1 ASP 1 8 24.710 -6.749 27.022 1.00 0.00 O ATOM 187 OD2 ASP 1 8 23.637 -4.890 27.497 1.00 0.00 O ATOM 0 H ASP 1 8 22.874 -9.090 26.742 1.00 0.00 H new ATOM 0 HA ASP 1 8 21.591 -7.023 28.355 1.00 0.00 H new ATOM 0 HB2 ASP 1 8 22.674 -7.190 25.519 1.00 0.00 H new ATOM 0 HB3 ASP 1 8 21.770 -5.799 26.085 1.00 0.00 H new ATOM 192 N LEU 1 9 19.311 -6.840 27.278 1.00 0.00 N ATOM 193 CA LEU 1 9 17.901 -6.913 26.877 1.00 0.00 C ATOM 194 C LEU 1 9 17.654 -6.135 25.578 1.00 0.00 C ATOM 195 O LEU 1 9 18.485 -5.317 25.169 1.00 0.00 O ATOM 196 CB LEU 1 9 17.010 -6.376 28.006 1.00 0.00 C ATOM 197 CG LEU 1 9 15.664 -7.087 28.179 1.00 0.00 C ATOM 198 CD1 LEU 1 9 15.342 -7.260 29.654 1.00 0.00 C ATOM 199 CD2 LEU 1 9 14.555 -6.312 27.484 1.00 0.00 C ATOM 0 H LEU 1 9 19.528 -6.053 27.889 1.00 0.00 H new ATOM 0 HA LEU 1 9 17.649 -7.957 26.691 1.00 0.00 H new ATOM 0 HB2 LEU 1 9 17.561 -6.445 28.944 1.00 0.00 H new ATOM 0 HB3 LEU 1 9 16.821 -5.318 27.824 1.00 0.00 H new ATOM 0 HG LEU 1 9 15.736 -8.073 27.719 1.00 0.00 H new ATOM 0 HD11 LEU 1 9 14.383 -7.767 29.760 1.00 0.00 H new ATOM 0 HD12 LEU 1 9 16.121 -7.856 30.129 1.00 0.00 H new ATOM 0 HD13 LEU 1 9 15.291 -6.282 30.132 1.00 0.00 H new ATOM 0 HD21 LEU 1 9 13.607 -6.833 27.619 1.00 0.00 H new ATOM 0 HD22 LEU 1 9 14.484 -5.313 27.915 1.00 0.00 H new ATOM 0 HD23 LEU 1 9 14.778 -6.233 26.420 1.00 0.00 H new ATOM 211 N GLY 1 10 16.508 -6.402 24.938 1.00 0.00 N ATOM 212 CA GLY 1 10 16.164 -5.738 23.690 1.00 0.00 C ATOM 213 C GLY 1 10 14.795 -5.090 23.737 1.00 0.00 C ATOM 214 O GLY 1 10 13.856 -5.559 23.087 1.00 0.00 O ATOM 0 H GLY 1 10 15.812 -7.071 25.268 1.00 0.00 H new ATOM 0 HA2 GLY 1 10 16.914 -4.979 23.467 1.00 0.00 H new ATOM 0 HA3 GLY 1 10 16.192 -6.463 22.877 1.00 0.00 H new ATOM 218 N THR 1 11 14.694 -4.010 24.512 1.00 0.00 N ATOM 219 CA THR 1 11 13.441 -3.255 24.659 1.00 0.00 C ATOM 220 C THR 1 11 13.620 -1.794 24.208 1.00 0.00 C ATOM 221 O THR 1 11 12.653 -1.029 24.159 1.00 0.00 O ATOM 222 CB THR 1 11 12.893 -3.315 26.122 1.00 0.00 C ATOM 223 OG1 THR 1 11 11.672 -2.566 26.227 1.00 0.00 O ATOM 224 CG2 THR 1 11 13.898 -2.787 27.154 1.00 0.00 C ATOM 0 H THR 1 11 15.471 -3.632 25.054 1.00 0.00 H new ATOM 0 HA THR 1 11 12.704 -3.729 24.011 1.00 0.00 H new ATOM 0 HB THR 1 11 12.712 -4.367 26.343 1.00 0.00 H new ATOM 0 HG1 THR 1 11 11.621 -1.919 25.493 1.00 0.00 H new ATOM 0 HG21 THR 1 11 13.464 -2.853 28.152 1.00 0.00 H new ATOM 0 HG22 THR 1 11 14.808 -3.385 27.114 1.00 0.00 H new ATOM 0 HG23 THR 1 11 14.137 -1.747 26.930 1.00 0.00 H new ATOM 232 N GLU 1 12 14.867 -1.434 23.879 1.00 0.00 N ATOM 233 CA GLU 1 12 15.212 -0.085 23.441 1.00 0.00 C ATOM 234 C GLU 1 12 15.259 -0.008 21.914 1.00 0.00 C ATOM 235 O GLU 1 12 14.557 0.797 21.295 1.00 0.00 O ATOM 236 CB GLU 1 12 16.560 0.323 24.071 1.00 0.00 C ATOM 237 CG GLU 1 12 16.948 1.774 23.844 1.00 0.00 C ATOM 238 CD GLU 1 12 18.181 2.181 24.626 1.00 0.00 C ATOM 239 OE1 GLU 1 12 18.039 2.542 25.813 1.00 0.00 O ATOM 240 OE2 GLU 1 12 19.290 2.137 24.052 1.00 0.00 O ATOM 0 H GLU 1 12 15.661 -2.073 23.911 1.00 0.00 H new ATOM 0 HA GLU 1 12 14.445 0.615 23.774 1.00 0.00 H new ATOM 0 HB2 GLU 1 12 16.517 0.135 25.144 1.00 0.00 H new ATOM 0 HB3 GLU 1 12 17.344 -0.317 23.667 1.00 0.00 H new ATOM 0 HG2 GLU 1 12 17.128 1.935 22.781 1.00 0.00 H new ATOM 0 HG3 GLU 1 12 16.115 2.417 24.128 1.00 0.00 H new ATOM 247 N ASN 1 13 16.103 -0.852 21.337 1.00 0.00 N ATOM 248 CA ASN 1 13 16.293 -0.945 19.889 1.00 0.00 C ATOM 249 C ASN 1 13 15.171 -1.762 19.205 1.00 0.00 C ATOM 250 O ASN 1 13 15.298 -2.151 18.037 1.00 0.00 O ATOM 251 CB ASN 1 13 17.665 -1.574 19.618 1.00 0.00 C ATOM 252 CG ASN 1 13 18.266 -1.185 18.308 1.00 0.00 C ATOM 253 OD1 ASN 1 13 17.585 -1.014 17.293 1.00 0.00 O ATOM 254 ND2 ASN 1 13 19.568 -1.042 18.339 1.00 0.00 N ATOM 0 H ASN 1 13 16.685 -1.502 21.865 1.00 0.00 H new ATOM 0 HA ASN 1 13 16.247 0.058 19.464 1.00 0.00 H new ATOM 0 HB2 ASN 1 13 18.348 -1.288 20.418 1.00 0.00 H new ATOM 0 HB3 ASN 1 13 17.569 -2.659 19.653 1.00 0.00 H new ATOM 0 HD21 ASN 1 13 20.072 -0.776 17.493 1.00 0.00 H new ATOM 0 HD22 ASN 1 13 20.078 -1.197 19.209 1.00 0.00 H new ATOM 261 N LEU 1 14 14.071 -2.001 19.939 1.00 0.00 N ATOM 262 CA LEU 1 14 12.928 -2.767 19.426 1.00 0.00 C ATOM 263 C LEU 1 14 12.000 -1.891 18.579 1.00 0.00 C ATOM 264 O LEU 1 14 11.866 -0.689 18.824 1.00 0.00 O ATOM 265 CB LEU 1 14 12.137 -3.378 20.589 1.00 0.00 C ATOM 266 CG LEU 1 14 11.339 -4.649 20.258 1.00 0.00 C ATOM 267 CD1 LEU 1 14 12.217 -5.890 20.361 1.00 0.00 C ATOM 268 CD2 LEU 1 14 10.132 -4.770 21.175 1.00 0.00 C ATOM 0 H LEU 1 14 13.952 -1.671 20.897 1.00 0.00 H new ATOM 0 HA LEU 1 14 13.321 -3.562 18.792 1.00 0.00 H new ATOM 0 HB2 LEU 1 14 12.833 -3.608 21.396 1.00 0.00 H new ATOM 0 HB3 LEU 1 14 11.446 -2.626 20.969 1.00 0.00 H new ATOM 0 HG LEU 1 14 10.988 -4.571 19.229 1.00 0.00 H new ATOM 0 HD11 LEU 1 14 11.626 -6.774 20.122 1.00 0.00 H new ATOM 0 HD12 LEU 1 14 13.047 -5.807 19.660 1.00 0.00 H new ATOM 0 HD13 LEU 1 14 12.606 -5.977 21.375 1.00 0.00 H new ATOM 0 HD21 LEU 1 14 9.577 -5.675 20.928 1.00 0.00 H new ATOM 0 HD22 LEU 1 14 10.466 -4.820 22.211 1.00 0.00 H new ATOM 0 HD23 LEU 1 14 9.487 -3.901 21.044 1.00 0.00 H new ATOM 280 N TYR 1 15 11.351 -2.526 17.599 1.00 0.00 N ATOM 281 CA TYR 1 15 10.424 -1.847 16.684 1.00 0.00 C ATOM 282 C TYR 1 15 8.993 -1.875 17.223 1.00 0.00 C ATOM 283 O TYR 1 15 8.629 -2.772 17.988 1.00 0.00 O ATOM 284 CB TYR 1 15 10.471 -2.506 15.302 1.00 0.00 C ATOM 285 CG TYR 1 15 11.721 -2.174 14.519 1.00 0.00 C ATOM 286 CD1 TYR 1 15 11.737 -1.111 13.626 1.00 0.00 C ATOM 287 CD2 TYR 1 15 12.886 -2.912 14.684 1.00 0.00 C ATOM 288 CE1 TYR 1 15 12.882 -0.791 12.920 1.00 0.00 C ATOM 289 CE2 TYR 1 15 14.033 -2.601 13.980 1.00 0.00 C ATOM 290 CZ TYR 1 15 14.026 -1.539 13.100 1.00 0.00 C ATOM 291 OH TYR 1 15 15.167 -1.223 12.400 1.00 0.00 O ATOM 0 H TYR 1 15 11.452 -3.524 17.416 1.00 0.00 H new ATOM 0 HA TYR 1 15 10.737 -0.806 16.600 1.00 0.00 H new ATOM 0 HB2 TYR 1 15 10.403 -3.587 15.421 1.00 0.00 H new ATOM 0 HB3 TYR 1 15 9.598 -2.193 14.729 1.00 0.00 H new ATOM 0 HD1 TYR 1 15 10.841 -0.525 13.481 1.00 0.00 H new ATOM 0 HD2 TYR 1 15 12.895 -3.743 15.374 1.00 0.00 H new ATOM 0 HE1 TYR 1 15 12.880 0.041 12.231 1.00 0.00 H new ATOM 0 HE2 TYR 1 15 14.930 -3.186 14.118 1.00 0.00 H new ATOM 0 HH TYR 1 15 15.883 -1.846 12.643 1.00 0.00 H new ATOM 301 N PHE 1 16 8.196 -0.868 16.835 1.00 0.00 N ATOM 302 CA PHE 1 16 6.800 -0.758 17.248 1.00 0.00 C ATOM 303 C PHE 1 16 5.950 -0.123 16.146 1.00 0.00 C ATOM 304 O PHE 1 16 4.855 -0.608 15.848 1.00 0.00 O ATOM 305 CB PHE 1 16 6.666 0.048 18.550 1.00 0.00 C ATOM 306 CG PHE 1 16 6.098 -0.753 19.690 1.00 0.00 C ATOM 307 CD1 PHE 1 16 6.937 -1.428 20.563 1.00 0.00 C ATOM 308 CD2 PHE 1 16 4.727 -0.841 19.879 1.00 0.00 C ATOM 309 CE1 PHE 1 16 6.418 -2.175 21.604 1.00 0.00 C ATOM 310 CE2 PHE 1 16 4.204 -1.585 20.919 1.00 0.00 C ATOM 311 CZ PHE 1 16 5.051 -2.253 21.782 1.00 0.00 C ATOM 0 H PHE 1 16 8.506 -0.111 16.227 1.00 0.00 H new ATOM 0 HA PHE 1 16 6.434 -1.768 17.431 1.00 0.00 H new ATOM 0 HB2 PHE 1 16 7.646 0.429 18.836 1.00 0.00 H new ATOM 0 HB3 PHE 1 16 6.028 0.913 18.370 1.00 0.00 H new ATOM 0 HD1 PHE 1 16 8.007 -1.370 20.428 1.00 0.00 H new ATOM 0 HD2 PHE 1 16 4.061 -0.322 19.206 1.00 0.00 H new ATOM 0 HE1 PHE 1 16 7.081 -2.697 22.278 1.00 0.00 H new ATOM 0 HE2 PHE 1 16 3.135 -1.644 21.057 1.00 0.00 H new ATOM 0 HZ PHE 1 16 4.644 -2.836 22.595 1.00 0.00 H new ATOM 321 N GLN 1 17 6.476 0.947 15.530 1.00 0.00 N ATOM 322 CA GLN 1 17 5.777 1.666 14.455 1.00 0.00 C ATOM 323 C GLN 1 17 6.048 1.016 13.094 1.00 0.00 C ATOM 324 O GLN 1 17 7.206 0.867 12.689 1.00 0.00 O ATOM 325 CB GLN 1 17 6.211 3.137 14.426 1.00 0.00 C ATOM 326 CG GLN 1 17 5.675 3.962 15.589 1.00 0.00 C ATOM 327 CD GLN 1 17 6.272 5.354 15.639 1.00 0.00 C ATOM 328 OE1 GLN 1 17 7.297 5.579 16.283 1.00 0.00 O ATOM 329 NE2 GLN 1 17 5.633 6.298 14.960 1.00 0.00 N ATOM 0 H GLN 1 17 7.390 1.335 15.761 1.00 0.00 H new ATOM 0 HA GLN 1 17 4.707 1.614 14.656 1.00 0.00 H new ATOM 0 HB2 GLN 1 17 7.300 3.184 14.431 1.00 0.00 H new ATOM 0 HB3 GLN 1 17 5.877 3.586 13.491 1.00 0.00 H new ATOM 0 HG2 GLN 1 17 4.591 4.038 15.506 1.00 0.00 H new ATOM 0 HG3 GLN 1 17 5.888 3.445 16.525 1.00 0.00 H new ATOM 0 HE21 GLN 1 17 4.787 6.068 14.440 1.00 0.00 H new ATOM 0 HE22 GLN 1 17 5.988 7.254 14.958 1.00 0.00 H new ATOM 338 N SER 1 18 4.972 0.622 12.404 1.00 0.00 N ATOM 339 CA SER 1 18 5.077 -0.020 11.093 1.00 0.00 C ATOM 340 C SER 1 18 4.799 0.969 9.963 1.00 0.00 C ATOM 341 O SER 1 18 3.747 1.617 9.937 1.00 0.00 O ATOM 342 CB SER 1 18 4.106 -1.198 11.003 1.00 0.00 C ATOM 343 OG SER 1 18 4.378 -2.160 12.005 1.00 0.00 O ATOM 0 H SER 1 18 4.014 0.738 12.736 1.00 0.00 H new ATOM 0 HA SER 1 18 6.099 -0.383 10.981 1.00 0.00 H new ATOM 0 HB2 SER 1 18 3.082 -0.838 11.108 1.00 0.00 H new ATOM 0 HB3 SER 1 18 4.182 -1.661 10.019 1.00 0.00 H new ATOM 0 HG SER 1 18 3.743 -2.902 11.927 1.00 0.00 H new ATOM 349 N ASN 1 19 5.757 1.080 9.033 1.00 0.00 N ATOM 350 CA ASN 1 19 5.636 1.975 7.879 1.00 0.00 C ATOM 351 C ASN 1 19 6.250 1.333 6.632 1.00 0.00 C ATOM 352 O ASN 1 19 5.572 1.177 5.613 1.00 0.00 O ATOM 353 CB ASN 1 19 6.297 3.332 8.175 1.00 0.00 C ATOM 354 CG ASN 1 19 5.451 4.221 9.023 1.00 0.00 C ATOM 355 OD1 ASN 1 19 4.270 4.449 8.755 1.00 0.00 O ATOM 356 ND2 ASN 1 19 6.068 4.726 10.067 1.00 0.00 N ATOM 0 H ASN 1 19 6.631 0.555 9.060 1.00 0.00 H new ATOM 0 HA ASN 1 19 4.577 2.146 7.687 1.00 0.00 H new ATOM 0 HB2 ASN 1 19 7.251 3.164 8.674 1.00 0.00 H new ATOM 0 HB3 ASN 1 19 6.515 3.837 7.234 1.00 0.00 H new ATOM 0 HD21 ASN 1 19 5.567 5.343 10.707 1.00 0.00 H new ATOM 0 HD22 ASN 1 19 7.048 4.501 10.238 1.00 0.00 H new ATOM 363 N ALA 1 20 7.530 0.948 6.734 1.00 0.00 N ATOM 364 CA ALA 1 20 8.258 0.313 5.628 1.00 0.00 C ATOM 365 C ALA 1 20 8.139 -1.209 5.686 1.00 0.00 C ATOM 366 O ALA 1 20 8.030 -1.786 6.772 1.00 0.00 O ATOM 367 CB ALA 1 20 9.720 0.729 5.663 1.00 0.00 C ATOM 0 H ALA 1 20 8.086 1.067 7.580 1.00 0.00 H new ATOM 0 HA ALA 1 20 7.812 0.647 4.691 1.00 0.00 H new ATOM 0 HB1 ALA 1 20 10.253 0.254 4.840 1.00 0.00 H new ATOM 0 HB2 ALA 1 20 9.793 1.812 5.565 1.00 0.00 H new ATOM 0 HB3 ALA 1 20 10.164 0.420 6.609 1.00 0.00 H new ATOM 373 N GLY 1 21 8.153 -1.850 4.509 1.00 0.00 N ATOM 374 CA GLY 1 21 8.055 -3.302 4.439 1.00 0.00 C ATOM 375 C GLY 1 21 6.823 -3.798 3.700 1.00 0.00 C ATOM 376 O GLY 1 21 6.651 -5.009 3.535 1.00 0.00 O ATOM 0 H GLY 1 21 8.231 -1.385 3.604 1.00 0.00 H new ATOM 0 HA2 GLY 1 21 8.945 -3.694 3.947 1.00 0.00 H new ATOM 0 HA3 GLY 1 21 8.047 -3.706 5.451 1.00 0.00 H new ATOM 380 N LYS 1 22 5.960 -2.868 3.264 1.00 0.00 N ATOM 381 CA LYS 1 22 4.744 -3.218 2.536 1.00 0.00 C ATOM 382 C LYS 1 22 4.986 -3.378 1.047 1.00 0.00 C ATOM 383 O LYS 1 22 5.891 -2.760 0.479 1.00 0.00 O ATOM 384 CB LYS 1 22 3.678 -2.155 2.752 1.00 0.00 C ATOM 385 CG LYS 1 22 2.848 -2.391 3.990 1.00 0.00 C ATOM 386 CD LYS 1 22 2.363 -1.078 4.571 1.00 0.00 C ATOM 387 CE LYS 1 22 1.624 -1.278 5.885 1.00 0.00 C ATOM 388 NZ LYS 1 22 1.125 0.010 6.439 1.00 0.00 N ATOM 0 H LYS 1 22 6.088 -1.866 3.407 1.00 0.00 H new ATOM 0 HA LYS 1 22 4.408 -4.178 2.929 1.00 0.00 H new ATOM 0 HB2 LYS 1 22 4.157 -1.178 2.824 1.00 0.00 H new ATOM 0 HB3 LYS 1 22 3.022 -2.125 1.882 1.00 0.00 H new ATOM 0 HG2 LYS 1 22 1.994 -3.023 3.746 1.00 0.00 H new ATOM 0 HG3 LYS 1 22 3.439 -2.926 4.733 1.00 0.00 H new ATOM 0 HD2 LYS 1 22 3.214 -0.415 4.730 1.00 0.00 H new ATOM 0 HD3 LYS 1 22 1.705 -0.586 3.855 1.00 0.00 H new ATOM 0 HE2 LYS 1 22 0.785 -1.957 5.731 1.00 0.00 H new ATOM 0 HE3 LYS 1 22 2.289 -1.752 6.608 1.00 0.00 H new ATOM 0 HZ1 LYS 1 22 0.627 -0.167 7.335 1.00 0.00 H new ATOM 0 HZ2 LYS 1 22 1.928 0.649 6.610 1.00 0.00 H new ATOM 0 HZ3 LYS 1 22 0.471 0.450 5.760 1.00 0.00 H new ATOM 402 N MET 1 23 4.150 -4.214 0.438 1.00 0.00 N ATOM 403 CA MET 1 23 4.203 -4.480 -0.982 1.00 0.00 C ATOM 404 C MET 1 23 2.858 -4.159 -1.623 1.00 0.00 C ATOM 405 O MET 1 23 1.817 -4.692 -1.235 1.00 0.00 O ATOM 406 CB MET 1 23 4.606 -5.931 -1.243 1.00 0.00 C ATOM 407 CG MET 1 23 5.936 -6.052 -1.961 1.00 0.00 C ATOM 408 SD MET 1 23 6.343 -7.754 -2.393 1.00 0.00 S ATOM 409 CE MET 1 23 7.631 -8.096 -1.201 1.00 0.00 C ATOM 0 H MET 1 23 3.415 -4.725 0.926 1.00 0.00 H new ATOM 0 HA MET 1 23 4.960 -3.839 -1.434 1.00 0.00 H new ATOM 0 HB2 MET 1 23 4.661 -6.464 -0.294 1.00 0.00 H new ATOM 0 HB3 MET 1 23 3.832 -6.417 -1.837 1.00 0.00 H new ATOM 0 HG2 MET 1 23 5.911 -5.448 -2.868 1.00 0.00 H new ATOM 0 HG3 MET 1 23 6.724 -5.644 -1.328 1.00 0.00 H new ATOM 0 HE1 MET 1 23 7.613 -9.154 -0.940 1.00 0.00 H new ATOM 0 HE2 MET 1 23 8.601 -7.844 -1.631 1.00 0.00 H new ATOM 0 HE3 MET 1 23 7.465 -7.498 -0.305 1.00 0.00 H new ATOM 419 N PHE 1 24 2.937 -3.325 -2.648 1.00 0.00 N ATOM 420 CA PHE 1 24 1.805 -2.829 -3.415 1.00 0.00 C ATOM 421 C PHE 1 24 1.566 -3.766 -4.596 1.00 0.00 C ATOM 422 O PHE 1 24 2.357 -3.824 -5.545 1.00 0.00 O ATOM 423 CB PHE 1 24 2.127 -1.389 -3.893 1.00 0.00 C ATOM 424 CG PHE 1 24 1.068 -0.673 -4.725 1.00 0.00 C ATOM 425 CD1 PHE 1 24 1.454 0.327 -5.603 1.00 0.00 C ATOM 426 CD2 PHE 1 24 -0.288 -0.980 -4.630 1.00 0.00 C ATOM 427 CE1 PHE 1 24 0.523 1.006 -6.366 1.00 0.00 C ATOM 428 CE2 PHE 1 24 -1.218 -0.304 -5.393 1.00 0.00 C ATOM 429 CZ PHE 1 24 -0.813 0.689 -6.260 1.00 0.00 C ATOM 0 H PHE 1 24 3.829 -2.960 -2.982 1.00 0.00 H new ATOM 0 HA PHE 1 24 0.899 -2.800 -2.809 1.00 0.00 H new ATOM 0 HB2 PHE 1 24 2.333 -0.780 -3.013 1.00 0.00 H new ATOM 0 HB3 PHE 1 24 3.047 -1.426 -4.477 1.00 0.00 H new ATOM 0 HD1 PHE 1 24 2.500 0.580 -5.693 1.00 0.00 H new ATOM 0 HD2 PHE 1 24 -0.614 -1.755 -3.952 1.00 0.00 H new ATOM 0 HE1 PHE 1 24 0.843 1.784 -7.044 1.00 0.00 H new ATOM 0 HE2 PHE 1 24 -2.266 -0.553 -5.311 1.00 0.00 H new ATOM 0 HZ PHE 1 24 -1.543 1.218 -6.855 1.00 0.00 H new ATOM 439 N ILE 1 25 0.486 -4.516 -4.492 1.00 0.00 N ATOM 440 CA ILE 1 25 0.089 -5.484 -5.489 1.00 0.00 C ATOM 441 C ILE 1 25 -0.919 -4.875 -6.451 1.00 0.00 C ATOM 442 O ILE 1 25 -2.026 -4.498 -6.060 1.00 0.00 O ATOM 443 CB ILE 1 25 -0.513 -6.733 -4.825 1.00 0.00 C ATOM 444 CG1 ILE 1 25 0.011 -6.922 -3.373 1.00 0.00 C ATOM 445 CG2 ILE 1 25 -0.289 -7.982 -5.688 1.00 0.00 C ATOM 446 CD1 ILE 1 25 1.483 -7.299 -3.226 1.00 0.00 C ATOM 0 H ILE 1 25 -0.150 -4.467 -3.696 1.00 0.00 H new ATOM 0 HA ILE 1 25 0.978 -5.778 -6.047 1.00 0.00 H new ATOM 0 HB ILE 1 25 -1.590 -6.582 -4.750 1.00 0.00 H new ATOM 0 HG12 ILE 1 25 -0.161 -5.996 -2.825 1.00 0.00 H new ATOM 0 HG13 ILE 1 25 -0.589 -7.694 -2.891 1.00 0.00 H new ATOM 0 HG21 ILE 1 25 -0.725 -8.849 -5.193 1.00 0.00 H new ATOM 0 HG22 ILE 1 25 -0.763 -7.842 -6.660 1.00 0.00 H new ATOM 0 HG23 ILE 1 25 0.780 -8.142 -5.825 1.00 0.00 H new ATOM 0 HD11 ILE 1 25 1.728 -7.402 -2.169 1.00 0.00 H new ATOM 0 HD12 ILE 1 25 1.669 -8.244 -3.736 1.00 0.00 H new ATOM 0 HD13 ILE 1 25 2.104 -6.520 -3.668 1.00 0.00 H new ATOM 458 N GLY 1 26 -0.500 -4.776 -7.700 1.00 0.00 N ATOM 459 CA GLY 1 26 -1.328 -4.208 -8.737 1.00 0.00 C ATOM 460 C GLY 1 26 -1.852 -5.204 -9.741 1.00 0.00 C ATOM 461 O GLY 1 26 -1.350 -6.319 -9.847 1.00 0.00 O ATOM 0 H GLY 1 26 0.418 -5.086 -8.018 1.00 0.00 H new ATOM 0 HA2 GLY 1 26 -2.174 -3.702 -8.271 1.00 0.00 H new ATOM 0 HA3 GLY 1 26 -0.754 -3.447 -9.266 1.00 0.00 H new ATOM 465 N GLY 1 27 -2.916 -4.790 -10.437 1.00 0.00 N ATOM 466 CA GLY 1 27 -3.531 -5.598 -11.488 1.00 0.00 C ATOM 467 C GLY 1 27 -4.252 -6.849 -11.007 1.00 0.00 C ATOM 468 O GLY 1 27 -4.449 -7.774 -11.799 1.00 0.00 O ATOM 0 H GLY 1 27 -3.371 -3.890 -10.287 1.00 0.00 H new ATOM 0 HA2 GLY 1 27 -4.241 -4.976 -12.033 1.00 0.00 H new ATOM 0 HA3 GLY 1 27 -2.757 -5.894 -12.196 1.00 0.00 H new ATOM 472 N LEU 1 28 -4.672 -6.877 -9.726 1.00 0.00 N ATOM 473 CA LEU 1 28 -5.372 -8.027 -9.141 1.00 0.00 C ATOM 474 C LEU 1 28 -6.628 -8.378 -9.962 1.00 0.00 C ATOM 475 O LEU 1 28 -7.060 -7.586 -10.807 1.00 0.00 O ATOM 476 CB LEU 1 28 -5.783 -7.723 -7.686 1.00 0.00 C ATOM 477 CG LEU 1 28 -4.663 -7.269 -6.737 1.00 0.00 C ATOM 478 CD1 LEU 1 28 -5.263 -6.644 -5.489 1.00 0.00 C ATOM 479 CD2 LEU 1 28 -3.761 -8.435 -6.355 1.00 0.00 C ATOM 0 H LEU 1 28 -4.534 -6.104 -9.075 1.00 0.00 H new ATOM 0 HA LEU 1 28 -4.689 -8.877 -9.155 1.00 0.00 H new ATOM 0 HB2 LEU 1 28 -6.550 -6.949 -7.703 1.00 0.00 H new ATOM 0 HB3 LEU 1 28 -6.243 -8.618 -7.267 1.00 0.00 H new ATOM 0 HG LEU 1 28 -4.056 -6.527 -7.256 1.00 0.00 H new ATOM 0 HD11 LEU 1 28 -4.463 -6.325 -4.821 1.00 0.00 H new ATOM 0 HD12 LEU 1 28 -5.868 -5.782 -5.769 1.00 0.00 H new ATOM 0 HD13 LEU 1 28 -5.889 -7.377 -4.980 1.00 0.00 H new ATOM 0 HD21 LEU 1 28 -2.978 -8.084 -5.683 1.00 0.00 H new ATOM 0 HD22 LEU 1 28 -4.351 -9.203 -5.855 1.00 0.00 H new ATOM 0 HD23 LEU 1 28 -3.308 -8.854 -7.253 1.00 0.00 H new ATOM 491 N SER 1 29 -7.228 -9.536 -9.683 1.00 0.00 N ATOM 492 CA SER 1 29 -8.393 -9.989 -10.395 1.00 0.00 C ATOM 493 C SER 1 29 -9.655 -9.682 -9.595 1.00 0.00 C ATOM 494 O SER 1 29 -9.599 -9.238 -8.444 1.00 0.00 O ATOM 495 CB SER 1 29 -8.269 -11.493 -10.674 1.00 0.00 C ATOM 496 OG SER 1 29 -9.113 -11.887 -11.739 1.00 0.00 O ATOM 0 H SER 1 29 -6.910 -10.176 -8.955 1.00 0.00 H new ATOM 0 HA SER 1 29 -8.465 -9.462 -11.346 1.00 0.00 H new ATOM 0 HB2 SER 1 29 -7.235 -11.736 -10.917 1.00 0.00 H new ATOM 0 HB3 SER 1 29 -8.526 -12.055 -9.776 1.00 0.00 H new ATOM 0 HG SER 1 29 -9.136 -12.865 -11.793 1.00 0.00 H new ATOM 502 N TRP 1 30 -10.779 -9.956 -10.228 1.00 0.00 N ATOM 503 CA TRP 1 30 -12.113 -9.743 -9.685 1.00 0.00 C ATOM 504 C TRP 1 30 -12.440 -10.761 -8.581 1.00 0.00 C ATOM 505 O TRP 1 30 -13.385 -10.580 -7.808 1.00 0.00 O ATOM 506 CB TRP 1 30 -13.126 -9.869 -10.842 1.00 0.00 C ATOM 507 CG TRP 1 30 -13.169 -11.231 -11.518 1.00 0.00 C ATOM 508 CD1 TRP 1 30 -12.097 -11.990 -11.908 1.00 0.00 C ATOM 509 CD2 TRP 1 30 -14.335 -11.988 -11.883 1.00 0.00 C ATOM 510 NE1 TRP 1 30 -12.519 -13.162 -12.459 1.00 0.00 N ATOM 511 CE2 TRP 1 30 -13.881 -13.186 -12.467 1.00 0.00 C ATOM 512 CE3 TRP 1 30 -15.715 -11.779 -11.770 1.00 0.00 C ATOM 513 CZ2 TRP 1 30 -14.744 -14.164 -12.935 1.00 0.00 C ATOM 514 CZ3 TRP 1 30 -16.575 -12.756 -12.241 1.00 0.00 C ATOM 515 CH2 TRP 1 30 -16.086 -13.936 -12.815 1.00 0.00 C ATOM 0 H TRP 1 30 -10.792 -10.348 -11.170 1.00 0.00 H new ATOM 0 HA TRP 1 30 -12.165 -8.752 -9.235 1.00 0.00 H new ATOM 0 HB2 TRP 1 30 -14.121 -9.639 -10.460 1.00 0.00 H new ATOM 0 HB3 TRP 1 30 -12.891 -9.115 -11.593 1.00 0.00 H new ATOM 0 HD1 TRP 1 30 -11.063 -11.700 -11.794 1.00 0.00 H new ATOM 0 HE1 TRP 1 30 -11.912 -13.903 -12.810 1.00 0.00 H new ATOM 0 HE3 TRP 1 30 -16.101 -10.874 -11.324 1.00 0.00 H new ATOM 0 HZ2 TRP 1 30 -14.369 -15.074 -13.379 1.00 0.00 H new ATOM 0 HZ3 TRP 1 30 -17.642 -12.606 -12.164 1.00 0.00 H new ATOM 0 HH2 TRP 1 30 -16.783 -14.681 -13.170 1.00 0.00 H new ATOM 526 N GLN 1 31 -11.632 -11.821 -8.535 1.00 0.00 N ATOM 527 CA GLN 1 31 -11.792 -12.909 -7.581 1.00 0.00 C ATOM 528 C GLN 1 31 -10.832 -12.788 -6.409 1.00 0.00 C ATOM 529 O GLN 1 31 -11.106 -13.297 -5.319 1.00 0.00 O ATOM 530 CB GLN 1 31 -11.539 -14.228 -8.297 1.00 0.00 C ATOM 531 CG GLN 1 31 -12.610 -14.596 -9.312 1.00 0.00 C ATOM 532 CD GLN 1 31 -12.405 -15.977 -9.892 1.00 0.00 C ATOM 533 OE1 GLN 1 31 -11.788 -16.140 -10.944 1.00 0.00 O ATOM 534 NE2 GLN 1 31 -12.915 -16.981 -9.195 1.00 0.00 N ATOM 0 H GLN 1 31 -10.841 -11.946 -9.167 1.00 0.00 H new ATOM 0 HA GLN 1 31 -12.806 -12.865 -7.185 1.00 0.00 H new ATOM 0 HB2 GLN 1 31 -10.575 -14.176 -8.804 1.00 0.00 H new ATOM 0 HB3 GLN 1 31 -11.466 -15.024 -7.556 1.00 0.00 H new ATOM 0 HG2 GLN 1 31 -13.590 -14.546 -8.836 1.00 0.00 H new ATOM 0 HG3 GLN 1 31 -12.610 -13.863 -10.118 1.00 0.00 H new ATOM 0 HE21 GLN 1 31 -13.419 -16.796 -8.328 1.00 0.00 H new ATOM 0 HE22 GLN 1 31 -12.804 -17.940 -9.525 1.00 0.00 H new ATOM 543 N THR 1 32 -9.714 -12.101 -6.642 1.00 0.00 N ATOM 544 CA THR 1 32 -8.682 -11.912 -5.628 1.00 0.00 C ATOM 545 C THR 1 32 -9.148 -11.020 -4.459 1.00 0.00 C ATOM 546 O THR 1 32 -9.405 -9.824 -4.626 1.00 0.00 O ATOM 547 CB THR 1 32 -7.425 -11.323 -6.271 1.00 0.00 C ATOM 548 OG1 THR 1 32 -7.306 -11.780 -7.625 1.00 0.00 O ATOM 549 CG2 THR 1 32 -6.168 -11.706 -5.497 1.00 0.00 C ATOM 0 H THR 1 32 -9.500 -11.662 -7.537 1.00 0.00 H new ATOM 0 HA THR 1 32 -8.461 -12.893 -5.207 1.00 0.00 H new ATOM 0 HB THR 1 32 -7.522 -10.238 -6.252 1.00 0.00 H new ATOM 0 HG1 THR 1 32 -7.404 -12.755 -7.651 1.00 0.00 H new ATOM 0 HG21 THR 1 32 -5.295 -11.270 -5.983 1.00 0.00 H new ATOM 0 HG22 THR 1 32 -6.241 -11.331 -4.476 1.00 0.00 H new ATOM 0 HG23 THR 1 32 -6.069 -12.791 -5.478 1.00 0.00 H new ATOM 557 N SER 1 33 -9.246 -11.650 -3.286 1.00 0.00 N ATOM 558 CA SER 1 33 -9.647 -10.999 -2.035 1.00 0.00 C ATOM 559 C SER 1 33 -8.423 -10.790 -1.138 1.00 0.00 C ATOM 560 O SER 1 33 -7.407 -11.458 -1.351 1.00 0.00 O ATOM 561 CB SER 1 33 -10.687 -11.868 -1.319 1.00 0.00 C ATOM 562 OG SER 1 33 -11.910 -11.894 -2.033 1.00 0.00 O ATOM 0 H SER 1 33 -9.046 -12.644 -3.176 1.00 0.00 H new ATOM 0 HA SER 1 33 -10.085 -10.026 -2.257 1.00 0.00 H new ATOM 0 HB2 SER 1 33 -10.304 -12.883 -1.210 1.00 0.00 H new ATOM 0 HB3 SER 1 33 -10.858 -11.482 -0.314 1.00 0.00 H new ATOM 0 HG SER 1 33 -12.555 -12.456 -1.556 1.00 0.00 H new ATOM 568 N PRO 1 34 -8.464 -9.861 -0.122 1.00 0.00 N ATOM 569 CA PRO 1 34 -7.317 -9.643 0.796 1.00 0.00 C ATOM 570 C PRO 1 34 -6.882 -10.924 1.503 1.00 0.00 C ATOM 571 O PRO 1 34 -5.722 -11.071 1.902 1.00 0.00 O ATOM 572 CB PRO 1 34 -7.837 -8.604 1.805 1.00 0.00 C ATOM 573 CG PRO 1 34 -9.321 -8.603 1.642 1.00 0.00 C ATOM 574 CD PRO 1 34 -9.576 -8.938 0.202 1.00 0.00 C ATOM 0 HA PRO 1 34 -6.430 -9.309 0.258 1.00 0.00 H new ATOM 0 HB2 PRO 1 34 -7.554 -8.869 2.824 1.00 0.00 H new ATOM 0 HB3 PRO 1 34 -7.419 -7.618 1.604 1.00 0.00 H new ATOM 0 HG2 PRO 1 34 -9.787 -9.335 2.302 1.00 0.00 H new ATOM 0 HG3 PRO 1 34 -9.741 -7.630 1.897 1.00 0.00 H new ATOM 0 HD2 PRO 1 34 -10.548 -9.411 0.063 1.00 0.00 H new ATOM 0 HD3 PRO 1 34 -9.561 -8.049 -0.429 1.00 0.00 H new ATOM 582 N ASP 1 35 -7.838 -11.844 1.633 1.00 0.00 N ATOM 583 CA ASP 1 35 -7.612 -13.151 2.243 1.00 0.00 C ATOM 584 C ASP 1 35 -6.956 -14.083 1.241 1.00 0.00 C ATOM 585 O ASP 1 35 -6.138 -14.932 1.596 1.00 0.00 O ATOM 586 CB ASP 1 35 -8.919 -13.738 2.707 1.00 0.00 C ATOM 587 CG ASP 1 35 -9.230 -13.419 4.156 1.00 0.00 C ATOM 588 OD1 ASP 1 35 -8.818 -14.203 5.037 1.00 0.00 O ATOM 589 OD2 ASP 1 35 -9.883 -12.386 4.411 1.00 0.00 O ATOM 0 H ASP 1 35 -8.797 -11.701 1.315 1.00 0.00 H new ATOM 0 HA ASP 1 35 -6.953 -13.030 3.103 1.00 0.00 H new ATOM 0 HB2 ASP 1 35 -9.724 -13.361 2.077 1.00 0.00 H new ATOM 0 HB3 ASP 1 35 -8.892 -14.820 2.577 1.00 0.00 H new ATOM 594 N SER 1 36 -7.354 -13.898 -0.023 1.00 0.00 N ATOM 595 CA SER 1 36 -6.824 -14.660 -1.155 1.00 0.00 C ATOM 596 C SER 1 36 -5.383 -14.240 -1.419 1.00 0.00 C ATOM 597 O SER 1 36 -4.545 -15.065 -1.788 1.00 0.00 O ATOM 598 CB SER 1 36 -7.680 -14.434 -2.404 1.00 0.00 C ATOM 599 OG SER 1 36 -7.314 -15.325 -3.446 1.00 0.00 O ATOM 0 H SER 1 36 -8.058 -13.210 -0.289 1.00 0.00 H new ATOM 0 HA SER 1 36 -6.851 -15.722 -0.912 1.00 0.00 H new ATOM 0 HB2 SER 1 36 -8.732 -14.573 -2.157 1.00 0.00 H new ATOM 0 HB3 SER 1 36 -7.566 -13.405 -2.745 1.00 0.00 H new ATOM 0 HG SER 1 36 -7.877 -15.160 -4.231 1.00 0.00 H new ATOM 605 N LEU 1 37 -5.112 -12.935 -1.216 1.00 0.00 N ATOM 606 CA LEU 1 37 -3.812 -12.358 -1.380 1.00 0.00 C ATOM 607 C LEU 1 37 -2.895 -12.782 -0.233 1.00 0.00 C ATOM 608 O LEU 1 37 -1.706 -13.041 -0.433 1.00 0.00 O ATOM 609 CB LEU 1 37 -4.013 -10.856 -1.392 1.00 0.00 C ATOM 610 CG LEU 1 37 -3.819 -10.157 -2.735 1.00 0.00 C ATOM 611 CD1 LEU 1 37 -4.377 -8.753 -2.675 1.00 0.00 C ATOM 612 CD2 LEU 1 37 -2.359 -10.109 -3.137 1.00 0.00 C ATOM 0 H LEU 1 37 -5.821 -12.261 -0.928 1.00 0.00 H new ATOM 0 HA LEU 1 37 -3.338 -12.692 -2.303 1.00 0.00 H new ATOM 0 HB2 LEU 1 37 -5.022 -10.643 -1.039 1.00 0.00 H new ATOM 0 HB3 LEU 1 37 -3.323 -10.413 -0.673 1.00 0.00 H new ATOM 0 HG LEU 1 37 -4.356 -10.734 -3.487 1.00 0.00 H new ATOM 0 HD11 LEU 1 37 -4.234 -8.263 -3.638 1.00 0.00 H new ATOM 0 HD12 LEU 1 37 -5.441 -8.794 -2.444 1.00 0.00 H new ATOM 0 HD13 LEU 1 37 -3.859 -8.188 -1.900 1.00 0.00 H new ATOM 0 HD21 LEU 1 37 -2.263 -9.604 -4.098 1.00 0.00 H new ATOM 0 HD22 LEU 1 37 -1.792 -9.564 -2.382 1.00 0.00 H new ATOM 0 HD23 LEU 1 37 -1.971 -11.124 -3.220 1.00 0.00 H new ATOM 624 N ARG 1 38 -3.488 -12.865 0.970 1.00 0.00 N ATOM 625 CA ARG 1 38 -2.802 -13.290 2.174 1.00 0.00 C ATOM 626 C ARG 1 38 -2.510 -14.782 2.069 1.00 0.00 C ATOM 627 O ARG 1 38 -1.422 -15.232 2.413 1.00 0.00 O ATOM 628 CB ARG 1 38 -3.657 -12.989 3.413 1.00 0.00 C ATOM 629 CG ARG 1 38 -2.845 -12.571 4.632 1.00 0.00 C ATOM 630 CD ARG 1 38 -3.737 -12.211 5.814 1.00 0.00 C ATOM 631 NE ARG 1 38 -4.387 -10.904 5.644 1.00 0.00 N ATOM 632 CZ ARG 1 38 -5.423 -10.463 6.371 1.00 0.00 C ATOM 633 NH1 ARG 1 38 -5.955 -11.211 7.337 1.00 0.00 N ATOM 634 NH2 ARG 1 38 -5.933 -9.265 6.124 1.00 0.00 N ATOM 0 H ARG 1 38 -4.470 -12.633 1.122 1.00 0.00 H new ATOM 0 HA ARG 1 38 -1.865 -12.743 2.277 1.00 0.00 H new ATOM 0 HB2 ARG 1 38 -4.365 -12.197 3.171 1.00 0.00 H new ATOM 0 HB3 ARG 1 38 -4.242 -13.874 3.663 1.00 0.00 H new ATOM 0 HG2 ARG 1 38 -2.175 -13.382 4.917 1.00 0.00 H new ATOM 0 HG3 ARG 1 38 -2.220 -11.716 4.376 1.00 0.00 H new ATOM 0 HD2 ARG 1 38 -4.499 -12.980 5.939 1.00 0.00 H new ATOM 0 HD3 ARG 1 38 -3.141 -12.202 6.727 1.00 0.00 H new ATOM 0 HE ARG 1 38 -4.023 -10.286 4.919 1.00 0.00 H new ATOM 0 HH11 ARG 1 38 -5.574 -12.136 7.534 1.00 0.00 H new ATOM 0 HH12 ARG 1 38 -6.743 -10.858 7.880 1.00 0.00 H new ATOM 0 HH21 ARG 1 38 -5.537 -8.685 5.384 1.00 0.00 H new ATOM 0 HH22 ARG 1 38 -6.721 -8.923 6.673 1.00 0.00 H new ATOM 648 N ASP 1 39 -3.503 -15.534 1.552 1.00 0.00 N ATOM 649 CA ASP 1 39 -3.379 -16.974 1.337 1.00 0.00 C ATOM 650 C ASP 1 39 -2.366 -17.298 0.229 1.00 0.00 C ATOM 651 O ASP 1 39 -1.563 -18.223 0.375 1.00 0.00 O ATOM 652 CB ASP 1 39 -4.741 -17.579 0.981 1.00 0.00 C ATOM 653 CG ASP 1 39 -5.443 -18.180 2.183 1.00 0.00 C ATOM 654 OD1 ASP 1 39 -6.183 -17.445 2.869 1.00 0.00 O ATOM 655 OD2 ASP 1 39 -5.255 -19.389 2.435 1.00 0.00 O ATOM 0 H ASP 1 39 -4.408 -15.153 1.275 1.00 0.00 H new ATOM 0 HA ASP 1 39 -3.017 -17.412 2.267 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 -5.374 -16.807 0.543 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 -4.605 -18.349 0.221 1.00 0.00 H new ATOM 660 N TYR 1 40 -2.377 -16.494 -0.857 1.00 0.00 N ATOM 661 CA TYR 1 40 -1.486 -16.697 -1.999 1.00 0.00 C ATOM 662 C TYR 1 40 -0.037 -16.330 -1.658 1.00 0.00 C ATOM 663 O TYR 1 40 0.878 -17.124 -1.867 1.00 0.00 O ATOM 664 CB TYR 1 40 -1.972 -15.866 -3.198 1.00 0.00 C ATOM 665 CG TYR 1 40 -1.677 -16.500 -4.540 1.00 0.00 C ATOM 666 CD1 TYR 1 40 -0.606 -16.075 -5.315 1.00 0.00 C ATOM 667 CD2 TYR 1 40 -2.472 -17.530 -5.029 1.00 0.00 C ATOM 668 CE1 TYR 1 40 -0.334 -16.658 -6.538 1.00 0.00 C ATOM 669 CE2 TYR 1 40 -2.207 -18.118 -6.251 1.00 0.00 C ATOM 670 CZ TYR 1 40 -1.138 -17.678 -7.002 1.00 0.00 C ATOM 671 OH TYR 1 40 -0.872 -18.260 -8.221 1.00 0.00 O ATOM 0 H TYR 1 40 -3.002 -15.694 -0.957 1.00 0.00 H new ATOM 0 HA TYR 1 40 -1.509 -17.756 -2.257 1.00 0.00 H new ATOM 0 HB2 TYR 1 40 -3.047 -15.711 -3.109 1.00 0.00 H new ATOM 0 HB3 TYR 1 40 -1.504 -14.883 -3.160 1.00 0.00 H new ATOM 0 HD1 TYR 1 40 0.025 -15.275 -4.956 1.00 0.00 H new ATOM 0 HD2 TYR 1 40 -3.311 -17.877 -4.444 1.00 0.00 H new ATOM 0 HE1 TYR 1 40 0.504 -16.317 -7.128 1.00 0.00 H new ATOM 0 HE2 TYR 1 40 -2.834 -18.918 -6.616 1.00 0.00 H new ATOM 0 HH TYR 1 40 -0.709 -17.561 -8.888 1.00 0.00 H new ATOM 681 N PHE 1 41 0.145 -15.124 -1.104 1.00 0.00 N ATOM 682 CA PHE 1 41 1.449 -14.593 -0.745 1.00 0.00 C ATOM 683 C PHE 1 41 2.085 -15.280 0.470 1.00 0.00 C ATOM 684 O PHE 1 41 3.311 -15.280 0.604 1.00 0.00 O ATOM 685 CB PHE 1 41 1.324 -13.095 -0.575 1.00 0.00 C ATOM 686 CG PHE 1 41 1.422 -12.376 -1.896 1.00 0.00 C ATOM 687 CD1 PHE 1 41 0.325 -12.317 -2.743 1.00 0.00 C ATOM 688 CD2 PHE 1 41 2.613 -11.799 -2.314 1.00 0.00 C ATOM 689 CE1 PHE 1 41 0.417 -11.699 -3.978 1.00 0.00 C ATOM 690 CE2 PHE 1 41 2.705 -11.173 -3.543 1.00 0.00 C ATOM 691 CZ PHE 1 41 1.607 -11.125 -4.375 1.00 0.00 C ATOM 0 H PHE 1 41 -0.625 -14.489 -0.893 1.00 0.00 H new ATOM 0 HA PHE 1 41 2.145 -14.811 -1.555 1.00 0.00 H new ATOM 0 HB2 PHE 1 41 0.370 -12.860 -0.102 1.00 0.00 H new ATOM 0 HB3 PHE 1 41 2.107 -12.738 0.093 1.00 0.00 H new ATOM 0 HD1 PHE 1 41 -0.611 -12.758 -2.435 1.00 0.00 H new ATOM 0 HD2 PHE 1 41 3.479 -11.840 -1.671 1.00 0.00 H new ATOM 0 HE1 PHE 1 41 -0.443 -11.666 -4.631 1.00 0.00 H new ATOM 0 HE2 PHE 1 41 3.637 -10.722 -3.851 1.00 0.00 H new ATOM 0 HZ PHE 1 41 1.678 -10.639 -5.337 1.00 0.00 H new ATOM 701 N SER 1 42 1.246 -15.864 1.365 1.00 0.00 N ATOM 702 CA SER 1 42 1.739 -16.580 2.570 1.00 0.00 C ATOM 703 C SER 1 42 2.570 -17.773 2.148 1.00 0.00 C ATOM 704 O SER 1 42 3.307 -18.377 2.932 1.00 0.00 O ATOM 705 CB SER 1 42 0.585 -17.049 3.461 1.00 0.00 C ATOM 706 OG SER 1 42 0.187 -16.030 4.361 1.00 0.00 O ATOM 0 H SER 1 42 0.230 -15.853 1.275 1.00 0.00 H new ATOM 0 HA SER 1 42 2.348 -15.884 3.147 1.00 0.00 H new ATOM 0 HB2 SER 1 42 -0.262 -17.341 2.840 1.00 0.00 H new ATOM 0 HB3 SER 1 42 0.890 -17.933 4.020 1.00 0.00 H new ATOM 0 HG SER 1 42 -0.521 -15.490 3.952 1.00 0.00 H new ATOM 712 N LYS 1 43 2.415 -18.062 0.871 1.00 0.00 N ATOM 713 CA LYS 1 43 3.084 -19.152 0.192 1.00 0.00 C ATOM 714 C LYS 1 43 4.511 -18.767 -0.231 1.00 0.00 C ATOM 715 O LYS 1 43 5.317 -19.631 -0.585 1.00 0.00 O ATOM 716 CB LYS 1 43 2.254 -19.554 -1.020 1.00 0.00 C ATOM 717 CG LYS 1 43 1.112 -20.511 -0.697 1.00 0.00 C ATOM 718 CD LYS 1 43 1.275 -21.839 -1.419 1.00 0.00 C ATOM 719 CE LYS 1 43 0.134 -22.791 -1.099 1.00 0.00 C ATOM 720 NZ LYS 1 43 0.268 -24.083 -1.825 1.00 0.00 N ATOM 0 H LYS 1 43 1.800 -17.527 0.258 1.00 0.00 H new ATOM 0 HA LYS 1 43 3.174 -19.994 0.878 1.00 0.00 H new ATOM 0 HB2 LYS 1 43 1.843 -18.656 -1.481 1.00 0.00 H new ATOM 0 HB3 LYS 1 43 2.908 -20.020 -1.757 1.00 0.00 H new ATOM 0 HG2 LYS 1 43 1.074 -20.683 0.379 1.00 0.00 H new ATOM 0 HG3 LYS 1 43 0.163 -20.056 -0.981 1.00 0.00 H new ATOM 0 HD2 LYS 1 43 1.316 -21.667 -2.495 1.00 0.00 H new ATOM 0 HD3 LYS 1 43 2.222 -22.296 -1.133 1.00 0.00 H new ATOM 0 HE2 LYS 1 43 0.108 -22.979 -0.026 1.00 0.00 H new ATOM 0 HE3 LYS 1 43 -0.814 -22.323 -1.363 1.00 0.00 H new ATOM 0 HZ1 LYS 1 43 -0.530 -24.704 -1.579 1.00 0.00 H new ATOM 0 HZ2 LYS 1 43 0.267 -23.907 -2.850 1.00 0.00 H new ATOM 0 HZ3 LYS 1 43 1.161 -24.543 -1.554 1.00 0.00 H new ATOM 734 N PHE 1 44 4.800 -17.461 -0.178 1.00 0.00 N ATOM 735 CA PHE 1 44 6.117 -16.916 -0.522 1.00 0.00 C ATOM 736 C PHE 1 44 6.906 -16.618 0.752 1.00 0.00 C ATOM 737 O PHE 1 44 8.134 -16.730 0.783 1.00 0.00 O ATOM 738 CB PHE 1 44 5.958 -15.633 -1.323 1.00 0.00 C ATOM 739 CG PHE 1 44 6.583 -15.679 -2.686 1.00 0.00 C ATOM 740 CD1 PHE 1 44 5.819 -15.991 -3.798 1.00 0.00 C ATOM 741 CD2 PHE 1 44 7.934 -15.410 -2.858 1.00 0.00 C ATOM 742 CE1 PHE 1 44 6.387 -16.035 -5.056 1.00 0.00 C ATOM 743 CE2 PHE 1 44 8.508 -15.454 -4.114 1.00 0.00 C ATOM 744 CZ PHE 1 44 7.732 -15.767 -5.214 1.00 0.00 C ATOM 0 H PHE 1 44 4.124 -16.751 0.106 1.00 0.00 H new ATOM 0 HA PHE 1 44 6.654 -17.652 -1.120 1.00 0.00 H new ATOM 0 HB2 PHE 1 44 4.896 -15.414 -1.430 1.00 0.00 H new ATOM 0 HB3 PHE 1 44 6.399 -14.810 -0.761 1.00 0.00 H new ATOM 0 HD1 PHE 1 44 4.766 -16.202 -3.680 1.00 0.00 H new ATOM 0 HD2 PHE 1 44 8.543 -15.164 -2.001 1.00 0.00 H new ATOM 0 HE1 PHE 1 44 5.780 -16.279 -5.915 1.00 0.00 H new ATOM 0 HE2 PHE 1 44 9.560 -15.244 -4.236 1.00 0.00 H new ATOM 0 HZ PHE 1 44 8.178 -15.802 -6.197 1.00 0.00 H new ATOM 754 N GLY 1 45 6.158 -16.247 1.794 1.00 0.00 N ATOM 755 CA GLY 1 45 6.697 -15.930 3.083 1.00 0.00 C ATOM 756 C GLY 1 45 5.581 -15.718 4.071 1.00 0.00 C ATOM 757 O GLY 1 45 4.452 -16.170 3.850 1.00 0.00 O ATOM 0 H GLY 1 45 5.143 -16.162 1.746 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 7.346 -16.737 3.423 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 7.312 -15.032 3.018 1.00 0.00 H new ATOM 761 N GLU 1 46 5.886 -15.023 5.145 1.00 0.00 N ATOM 762 CA GLU 1 46 4.927 -14.733 6.167 1.00 0.00 C ATOM 763 C GLU 1 46 4.450 -13.300 6.060 1.00 0.00 C ATOM 764 O GLU 1 46 5.241 -12.360 5.944 1.00 0.00 O ATOM 765 CB GLU 1 46 5.478 -15.007 7.559 1.00 0.00 C ATOM 766 CG GLU 1 46 4.373 -15.116 8.601 1.00 0.00 C ATOM 767 CD GLU 1 46 4.866 -15.643 9.933 1.00 0.00 C ATOM 768 OE1 GLU 1 46 5.249 -14.823 10.793 1.00 0.00 O ATOM 769 OE2 GLU 1 46 4.870 -16.879 10.116 1.00 0.00 O ATOM 0 H GLU 1 46 6.815 -14.644 5.327 1.00 0.00 H new ATOM 0 HA GLU 1 46 4.079 -15.400 6.013 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 6.055 -15.932 7.545 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 6.164 -14.208 7.841 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 3.923 -14.135 8.749 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 3.589 -15.773 8.224 1.00 0.00 H new ATOM 776 N ILE 1 47 3.148 -13.183 6.136 1.00 0.00 N ATOM 777 CA ILE 1 47 2.450 -11.901 6.045 1.00 0.00 C ATOM 778 C ILE 1 47 1.960 -11.433 7.412 1.00 0.00 C ATOM 779 O ILE 1 47 1.504 -12.226 8.241 1.00 0.00 O ATOM 780 CB ILE 1 47 1.283 -11.952 5.028 1.00 0.00 C ATOM 781 CG1 ILE 1 47 1.836 -12.277 3.653 1.00 0.00 C ATOM 782 CG2 ILE 1 47 0.495 -10.640 4.967 1.00 0.00 C ATOM 783 CD1 ILE 1 47 1.101 -13.386 2.914 1.00 0.00 C ATOM 0 H ILE 1 47 2.524 -13.980 6.265 1.00 0.00 H new ATOM 0 HA ILE 1 47 3.173 -11.172 5.680 1.00 0.00 H new ATOM 0 HB ILE 1 47 0.591 -12.726 5.360 1.00 0.00 H new ATOM 0 HG12 ILE 1 47 1.809 -11.374 3.043 1.00 0.00 H new ATOM 0 HG13 ILE 1 47 2.883 -12.561 3.756 1.00 0.00 H new ATOM 0 HG21 ILE 1 47 -0.310 -10.733 4.238 1.00 0.00 H new ATOM 0 HG22 ILE 1 47 0.073 -10.423 5.948 1.00 0.00 H new ATOM 0 HG23 ILE 1 47 1.161 -9.829 4.671 1.00 0.00 H new ATOM 0 HD11 ILE 1 47 1.568 -13.547 1.942 1.00 0.00 H new ATOM 0 HD12 ILE 1 47 1.150 -14.306 3.497 1.00 0.00 H new ATOM 0 HD13 ILE 1 47 0.059 -13.100 2.773 1.00 0.00 H new ATOM 795 N ARG 1 48 2.101 -10.126 7.620 1.00 0.00 N ATOM 796 CA ARG 1 48 1.678 -9.446 8.833 1.00 0.00 C ATOM 797 C ARG 1 48 0.220 -9.012 8.707 1.00 0.00 C ATOM 798 O ARG 1 48 -0.577 -9.177 9.634 1.00 0.00 O ATOM 799 CB ARG 1 48 2.558 -8.212 9.025 1.00 0.00 C ATOM 800 CG ARG 1 48 2.790 -7.828 10.475 1.00 0.00 C ATOM 801 CD ARG 1 48 3.889 -6.786 10.604 1.00 0.00 C ATOM 802 NE ARG 1 48 4.109 -6.386 11.998 1.00 0.00 N ATOM 803 CZ ARG 1 48 5.212 -5.771 12.448 1.00 0.00 C ATOM 804 NH1 ARG 1 48 6.219 -5.478 11.628 1.00 0.00 N ATOM 805 NH2 ARG 1 48 5.307 -5.451 13.732 1.00 0.00 N ATOM 0 H ARG 1 48 2.522 -9.500 6.933 1.00 0.00 H new ATOM 0 HA ARG 1 48 1.773 -10.118 9.686 1.00 0.00 H new ATOM 0 HB2 ARG 1 48 3.523 -8.391 8.550 1.00 0.00 H new ATOM 0 HB3 ARG 1 48 2.099 -7.369 8.507 1.00 0.00 H new ATOM 0 HG2 ARG 1 48 1.866 -7.439 10.902 1.00 0.00 H new ATOM 0 HG3 ARG 1 48 3.058 -8.715 11.049 1.00 0.00 H new ATOM 0 HD2 ARG 1 48 4.816 -7.184 10.191 1.00 0.00 H new ATOM 0 HD3 ARG 1 48 3.627 -5.909 10.012 1.00 0.00 H new ATOM 0 HE ARG 1 48 3.371 -6.590 12.672 1.00 0.00 H new ATOM 0 HH11 ARG 1 48 6.159 -5.722 10.639 1.00 0.00 H new ATOM 0 HH12 ARG 1 48 7.050 -5.010 11.988 1.00 0.00 H new ATOM 0 HH21 ARG 1 48 4.543 -5.673 14.371 1.00 0.00 H new ATOM 0 HH22 ARG 1 48 6.144 -4.983 14.080 1.00 0.00 H new ATOM 819 N GLU 1 49 -0.106 -8.473 7.522 1.00 0.00 N ATOM 820 CA GLU 1 49 -1.435 -7.968 7.204 1.00 0.00 C ATOM 821 C GLU 1 49 -1.549 -7.766 5.698 1.00 0.00 C ATOM 822 O GLU 1 49 -0.545 -7.616 5.007 1.00 0.00 O ATOM 823 CB GLU 1 49 -1.710 -6.634 7.933 1.00 0.00 C ATOM 824 CG GLU 1 49 -3.188 -6.351 8.175 1.00 0.00 C ATOM 825 CD GLU 1 49 -3.425 -4.999 8.818 1.00 0.00 C ATOM 826 OE1 GLU 1 49 -3.636 -4.018 8.076 1.00 0.00 O ATOM 827 OE2 GLU 1 49 -3.402 -4.923 10.065 1.00 0.00 O ATOM 0 H GLU 1 49 0.559 -8.378 6.754 1.00 0.00 H new ATOM 0 HA GLU 1 49 -2.174 -8.696 7.538 1.00 0.00 H new ATOM 0 HB2 GLU 1 49 -1.191 -6.642 8.891 1.00 0.00 H new ATOM 0 HB3 GLU 1 49 -1.286 -5.818 7.348 1.00 0.00 H new ATOM 0 HG2 GLU 1 49 -3.723 -6.397 7.226 1.00 0.00 H new ATOM 0 HG3 GLU 1 49 -3.604 -7.131 8.813 1.00 0.00 H new ATOM 834 N CYS 1 50 -2.779 -7.765 5.215 1.00 0.00 N ATOM 835 CA CYS 1 50 -3.084 -7.568 3.821 1.00 0.00 C ATOM 836 C CYS 1 50 -4.250 -6.606 3.695 1.00 0.00 C ATOM 837 O CYS 1 50 -5.127 -6.542 4.563 1.00 0.00 O ATOM 838 CB CYS 1 50 -3.381 -8.889 3.111 1.00 0.00 C ATOM 839 SG CYS 1 50 -3.742 -8.726 1.347 1.00 0.00 S ATOM 0 H CYS 1 50 -3.605 -7.904 5.797 1.00 0.00 H new ATOM 0 HA CYS 1 50 -2.209 -7.141 3.331 1.00 0.00 H new ATOM 0 HB2 CYS 1 50 -2.526 -9.554 3.234 1.00 0.00 H new ATOM 0 HB3 CYS 1 50 -4.230 -9.367 3.600 1.00 0.00 H new ATOM 0 HG CYS 1 50 -3.134 -7.678 0.875 1.00 0.00 H new ATOM 845 N MET 1 51 -4.237 -5.876 2.595 1.00 0.00 N ATOM 846 CA MET 1 51 -5.238 -4.860 2.304 1.00 0.00 C ATOM 847 C MET 1 51 -5.534 -4.760 0.812 1.00 0.00 C ATOM 848 O MET 1 51 -4.635 -4.756 -0.028 1.00 0.00 O ATOM 849 CB MET 1 51 -4.766 -3.509 2.838 1.00 0.00 C ATOM 850 CG MET 1 51 -5.720 -2.338 2.625 1.00 0.00 C ATOM 851 SD MET 1 51 -5.116 -0.818 3.388 1.00 0.00 S ATOM 852 CE MET 1 51 -6.137 0.408 2.576 1.00 0.00 C ATOM 0 H MET 1 51 -3.526 -5.971 1.870 1.00 0.00 H new ATOM 0 HA MET 1 51 -6.164 -5.151 2.799 1.00 0.00 H new ATOM 0 HB2 MET 1 51 -4.577 -3.609 3.907 1.00 0.00 H new ATOM 0 HB3 MET 1 51 -3.813 -3.267 2.367 1.00 0.00 H new ATOM 0 HG2 MET 1 51 -5.860 -2.175 1.556 1.00 0.00 H new ATOM 0 HG3 MET 1 51 -6.697 -2.587 3.040 1.00 0.00 H new ATOM 0 HE1 MET 1 51 -5.878 1.400 2.946 1.00 0.00 H new ATOM 0 HE2 MET 1 51 -5.969 0.367 1.500 1.00 0.00 H new ATOM 0 HE3 MET 1 51 -7.187 0.205 2.787 1.00 0.00 H new ATOM 862 N VAL 1 52 -6.823 -4.720 0.529 1.00 0.00 N ATOM 863 CA VAL 1 52 -7.362 -4.556 -0.818 1.00 0.00 C ATOM 864 C VAL 1 52 -8.397 -3.432 -0.783 1.00 0.00 C ATOM 865 O VAL 1 52 -9.338 -3.455 0.016 1.00 0.00 O ATOM 866 CB VAL 1 52 -7.983 -5.855 -1.361 1.00 0.00 C ATOM 867 CG1 VAL 1 52 -8.507 -5.703 -2.790 1.00 0.00 C ATOM 868 CG2 VAL 1 52 -6.977 -6.988 -1.306 1.00 0.00 C ATOM 0 H VAL 1 52 -7.546 -4.802 1.244 1.00 0.00 H new ATOM 0 HA VAL 1 52 -6.547 -4.303 -1.496 1.00 0.00 H new ATOM 0 HB VAL 1 52 -8.834 -6.086 -0.721 1.00 0.00 H new ATOM 0 HG11 VAL 1 52 -8.934 -6.649 -3.123 1.00 0.00 H new ATOM 0 HG12 VAL 1 52 -9.274 -4.929 -2.816 1.00 0.00 H new ATOM 0 HG13 VAL 1 52 -7.686 -5.423 -3.451 1.00 0.00 H new ATOM 0 HG21 VAL 1 52 -7.433 -7.899 -1.694 1.00 0.00 H new ATOM 0 HG22 VAL 1 52 -6.107 -6.732 -1.911 1.00 0.00 H new ATOM 0 HG23 VAL 1 52 -6.666 -7.149 -0.274 1.00 0.00 H new ATOM 878 N MET 1 53 -8.189 -2.463 -1.661 1.00 0.00 N ATOM 879 CA MET 1 53 -9.040 -1.267 -1.777 1.00 0.00 C ATOM 880 C MET 1 53 -10.431 -1.580 -2.334 1.00 0.00 C ATOM 881 O MET 1 53 -10.568 -2.120 -3.436 1.00 0.00 O ATOM 882 CB MET 1 53 -8.353 -0.215 -2.655 1.00 0.00 C ATOM 883 CG MET 1 53 -7.766 0.948 -1.869 1.00 0.00 C ATOM 884 SD MET 1 53 -9.016 1.904 -0.988 1.00 0.00 S ATOM 885 CE MET 1 53 -8.009 3.214 -0.295 1.00 0.00 C ATOM 0 H MET 1 53 -7.416 -2.476 -2.327 1.00 0.00 H new ATOM 0 HA MET 1 53 -9.178 -0.878 -0.768 1.00 0.00 H new ATOM 0 HB2 MET 1 53 -7.558 -0.694 -3.226 1.00 0.00 H new ATOM 0 HB3 MET 1 53 -9.074 0.172 -3.375 1.00 0.00 H new ATOM 0 HG2 MET 1 53 -7.038 0.565 -1.154 1.00 0.00 H new ATOM 0 HG3 MET 1 53 -7.227 1.606 -2.551 1.00 0.00 H new ATOM 0 HE1 MET 1 53 -8.639 3.891 0.281 1.00 0.00 H new ATOM 0 HE2 MET 1 53 -7.249 2.783 0.357 1.00 0.00 H new ATOM 0 HE3 MET 1 53 -7.525 3.766 -1.101 1.00 0.00 H new ATOM 895 N ARG 1 54 -11.450 -1.223 -1.545 1.00 0.00 N ATOM 896 CA ARG 1 54 -12.850 -1.441 -1.906 1.00 0.00 C ATOM 897 C ARG 1 54 -13.693 -0.208 -1.568 1.00 0.00 C ATOM 898 O ARG 1 54 -13.335 0.567 -0.675 1.00 0.00 O ATOM 899 CB ARG 1 54 -13.394 -2.670 -1.169 1.00 0.00 C ATOM 900 CG ARG 1 54 -13.265 -3.965 -1.955 1.00 0.00 C ATOM 901 CD ARG 1 54 -13.687 -5.163 -1.118 1.00 0.00 C ATOM 902 NE ARG 1 54 -13.714 -6.404 -1.900 1.00 0.00 N ATOM 903 CZ ARG 1 54 -13.963 -7.620 -1.393 1.00 0.00 C ATOM 904 NH1 ARG 1 54 -14.212 -7.786 -0.094 1.00 0.00 N ATOM 905 NH2 ARG 1 54 -13.965 -8.677 -2.193 1.00 0.00 N ATOM 0 H ARG 1 54 -11.324 -0.774 -0.638 1.00 0.00 H new ATOM 0 HA ARG 1 54 -12.909 -1.614 -2.981 1.00 0.00 H new ATOM 0 HB2 ARG 1 54 -12.866 -2.777 -0.222 1.00 0.00 H new ATOM 0 HB3 ARG 1 54 -14.445 -2.504 -0.931 1.00 0.00 H new ATOM 0 HG2 ARG 1 54 -13.881 -3.911 -2.853 1.00 0.00 H new ATOM 0 HG3 ARG 1 54 -12.233 -4.093 -2.283 1.00 0.00 H new ATOM 0 HD2 ARG 1 54 -13.000 -5.279 -0.280 1.00 0.00 H new ATOM 0 HD3 ARG 1 54 -14.675 -4.980 -0.697 1.00 0.00 H new ATOM 0 HE ARG 1 54 -13.530 -6.337 -2.901 1.00 0.00 H new ATOM 0 HH11 ARG 1 54 -14.215 -6.980 0.532 1.00 0.00 H new ATOM 0 HH12 ARG 1 54 -14.399 -8.719 0.274 1.00 0.00 H new ATOM 0 HH21 ARG 1 54 -13.778 -8.563 -3.189 1.00 0.00 H new ATOM 0 HH22 ARG 1 54 -14.154 -9.604 -1.812 1.00 0.00 H new ATOM 919 N ASP 1 55 -14.816 -0.045 -2.279 1.00 0.00 N ATOM 920 CA ASP 1 55 -15.714 1.069 -2.081 1.00 0.00 C ATOM 921 C ASP 1 55 -16.927 0.655 -1.236 1.00 0.00 C ATOM 922 O ASP 1 55 -17.716 -0.183 -1.669 1.00 0.00 O ATOM 923 CB ASP 1 55 -16.177 1.602 -3.422 1.00 0.00 C ATOM 924 CG ASP 1 55 -15.295 2.718 -3.947 1.00 0.00 C ATOM 925 OD1 ASP 1 55 -15.620 3.897 -3.697 1.00 0.00 O ATOM 926 OD2 ASP 1 55 -14.279 2.412 -4.605 1.00 0.00 O ATOM 0 H ASP 1 55 -15.117 -0.692 -3.008 1.00 0.00 H new ATOM 0 HA ASP 1 55 -15.176 1.851 -1.546 1.00 0.00 H new ATOM 0 HB2 ASP 1 55 -16.193 0.787 -4.146 1.00 0.00 H new ATOM 0 HB3 ASP 1 55 -17.200 1.967 -3.329 1.00 0.00 H new ATOM 931 N PRO 1 56 -17.097 1.218 -0.005 1.00 0.00 N ATOM 932 CA PRO 1 56 -18.244 0.892 0.879 1.00 0.00 C ATOM 933 C PRO 1 56 -19.628 1.199 0.273 1.00 0.00 C ATOM 934 O PRO 1 56 -20.651 0.827 0.856 1.00 0.00 O ATOM 935 CB PRO 1 56 -18.017 1.778 2.112 1.00 0.00 C ATOM 936 CG PRO 1 56 -16.567 2.115 2.093 1.00 0.00 C ATOM 937 CD PRO 1 56 -16.172 2.174 0.646 1.00 0.00 C ATOM 0 HA PRO 1 56 -18.269 -0.179 1.078 1.00 0.00 H new ATOM 0 HB2 PRO 1 56 -18.630 2.678 2.068 1.00 0.00 H new ATOM 0 HB3 PRO 1 56 -18.287 1.253 3.028 1.00 0.00 H new ATOM 0 HG2 PRO 1 56 -16.382 3.069 2.587 1.00 0.00 H new ATOM 0 HG3 PRO 1 56 -15.985 1.363 2.625 1.00 0.00 H new ATOM 0 HD2 PRO 1 56 -16.283 3.180 0.240 1.00 0.00 H new ATOM 0 HD3 PRO 1 56 -15.131 1.886 0.502 1.00 0.00 H new ATOM 945 N THR 1 57 -19.656 1.875 -0.891 1.00 0.00 N ATOM 946 CA THR 1 57 -20.911 2.248 -1.549 1.00 0.00 C ATOM 947 C THR 1 57 -21.533 1.100 -2.352 1.00 0.00 C ATOM 948 O THR 1 57 -22.744 0.873 -2.277 1.00 0.00 O ATOM 949 CB THR 1 57 -20.723 3.458 -2.489 1.00 0.00 C ATOM 950 OG1 THR 1 57 -19.580 3.258 -3.330 1.00 0.00 O ATOM 951 CG2 THR 1 57 -20.557 4.747 -1.695 1.00 0.00 C ATOM 0 H THR 1 57 -18.819 2.172 -1.392 1.00 0.00 H new ATOM 0 HA THR 1 57 -21.590 2.509 -0.738 1.00 0.00 H new ATOM 0 HB THR 1 57 -21.616 3.546 -3.108 1.00 0.00 H new ATOM 0 HG1 THR 1 57 -19.471 4.030 -3.923 1.00 0.00 H new ATOM 0 HG21 THR 1 57 -20.426 5.583 -2.382 1.00 0.00 H new ATOM 0 HG22 THR 1 57 -21.444 4.915 -1.084 1.00 0.00 H new ATOM 0 HG23 THR 1 57 -19.682 4.667 -1.050 1.00 0.00 H new ATOM 959 N THR 1 58 -20.697 0.389 -3.119 1.00 0.00 N ATOM 960 CA THR 1 58 -21.157 -0.739 -3.944 1.00 0.00 C ATOM 961 C THR 1 58 -20.315 -2.000 -3.717 1.00 0.00 C ATOM 962 O THR 1 58 -20.654 -3.079 -4.212 1.00 0.00 O ATOM 963 CB THR 1 58 -21.134 -0.375 -5.448 1.00 0.00 C ATOM 964 OG1 THR 1 58 -19.796 -0.066 -5.867 1.00 0.00 O ATOM 965 CG2 THR 1 58 -22.031 0.820 -5.726 1.00 0.00 C ATOM 0 H THR 1 58 -19.696 0.574 -3.187 1.00 0.00 H new ATOM 0 HA THR 1 58 -22.182 -0.949 -3.637 1.00 0.00 H new ATOM 0 HB THR 1 58 -21.501 -1.236 -6.007 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -19.815 0.313 -6.771 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -22.000 1.059 -6.789 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -23.055 0.581 -5.437 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -21.683 1.678 -5.151 1.00 0.00 H new ATOM 973 N LYS 1 59 -19.213 -1.847 -2.957 1.00 0.00 N ATOM 974 CA LYS 1 59 -18.269 -2.940 -2.626 1.00 0.00 C ATOM 975 C LYS 1 59 -17.673 -3.585 -3.875 1.00 0.00 C ATOM 976 O LYS 1 59 -17.711 -4.805 -4.078 1.00 0.00 O ATOM 977 CB LYS 1 59 -18.908 -3.960 -1.682 1.00 0.00 C ATOM 978 CG LYS 1 59 -19.040 -3.394 -0.285 1.00 0.00 C ATOM 979 CD LYS 1 59 -20.493 -3.309 0.154 1.00 0.00 C ATOM 980 CE LYS 1 59 -20.643 -2.557 1.470 1.00 0.00 C ATOM 981 NZ LYS 1 59 -20.104 -3.327 2.627 1.00 0.00 N ATOM 0 H LYS 1 59 -18.947 -0.951 -2.549 1.00 0.00 H new ATOM 0 HA LYS 1 59 -17.430 -2.496 -2.090 1.00 0.00 H new ATOM 0 HB2 LYS 1 59 -19.891 -4.244 -2.058 1.00 0.00 H new ATOM 0 HB3 LYS 1 59 -18.303 -4.866 -1.656 1.00 0.00 H new ATOM 0 HG2 LYS 1 59 -18.485 -4.019 0.414 1.00 0.00 H new ATOM 0 HG3 LYS 1 59 -18.591 -2.401 -0.251 1.00 0.00 H new ATOM 0 HD2 LYS 1 59 -21.078 -2.810 -0.619 1.00 0.00 H new ATOM 0 HD3 LYS 1 59 -20.900 -4.315 0.262 1.00 0.00 H new ATOM 0 HE2 LYS 1 59 -20.125 -1.600 1.400 1.00 0.00 H new ATOM 0 HE3 LYS 1 59 -21.697 -2.337 1.642 1.00 0.00 H new ATOM 0 HZ1 LYS 1 59 -20.228 -2.775 3.500 1.00 0.00 H new ATOM 0 HZ2 LYS 1 59 -20.615 -4.229 2.712 1.00 0.00 H new ATOM 0 HZ3 LYS 1 59 -19.092 -3.515 2.478 1.00 0.00 H new ATOM 995 N ARG 1 60 -17.122 -2.705 -4.692 1.00 0.00 N ATOM 996 CA ARG 1 60 -16.467 -3.075 -5.953 1.00 0.00 C ATOM 997 C ARG 1 60 -14.960 -2.853 -5.847 1.00 0.00 C ATOM 998 O ARG 1 60 -14.520 -1.827 -5.322 1.00 0.00 O ATOM 999 CB ARG 1 60 -17.028 -2.248 -7.117 1.00 0.00 C ATOM 1000 CG ARG 1 60 -18.520 -2.441 -7.354 1.00 0.00 C ATOM 1001 CD ARG 1 60 -19.017 -1.590 -8.511 1.00 0.00 C ATOM 1002 NE ARG 1 60 -18.780 -2.232 -9.808 1.00 0.00 N ATOM 1003 CZ ARG 1 60 -19.025 -1.663 -10.997 1.00 0.00 C ATOM 1004 NH1 ARG 1 60 -19.516 -0.427 -11.080 1.00 0.00 N ATOM 1005 NH2 ARG 1 60 -18.781 -2.340 -12.110 1.00 0.00 N ATOM 0 H ARG 1 60 -17.112 -1.702 -4.505 1.00 0.00 H new ATOM 0 HA ARG 1 60 -16.664 -4.130 -6.144 1.00 0.00 H new ATOM 0 HB2 ARG 1 60 -16.835 -1.193 -6.925 1.00 0.00 H new ATOM 0 HB3 ARG 1 60 -16.489 -2.510 -8.028 1.00 0.00 H new ATOM 0 HG2 ARG 1 60 -18.723 -3.492 -7.561 1.00 0.00 H new ATOM 0 HG3 ARG 1 60 -19.069 -2.182 -6.449 1.00 0.00 H new ATOM 0 HD2 ARG 1 60 -20.084 -1.401 -8.390 1.00 0.00 H new ATOM 0 HD3 ARG 1 60 -18.517 -0.622 -8.489 1.00 0.00 H new ATOM 0 HE ARG 1 60 -18.402 -3.179 -9.805 1.00 0.00 H new ATOM 0 HH11 ARG 1 60 -19.712 0.102 -10.230 1.00 0.00 H new ATOM 0 HH12 ARG 1 60 -19.696 -0.010 -11.993 1.00 0.00 H new ATOM 0 HH21 ARG 1 60 -18.409 -3.288 -12.059 1.00 0.00 H new ATOM 0 HH22 ARG 1 60 -18.965 -1.913 -13.018 1.00 0.00 H new ATOM 1019 N SER 1 61 -14.177 -3.818 -6.344 1.00 0.00 N ATOM 1020 CA SER 1 61 -12.711 -3.734 -6.308 1.00 0.00 C ATOM 1021 C SER 1 61 -12.166 -3.045 -7.560 1.00 0.00 C ATOM 1022 O SER 1 61 -12.776 -3.121 -8.631 1.00 0.00 O ATOM 1023 CB SER 1 61 -12.100 -5.131 -6.178 1.00 0.00 C ATOM 1024 OG SER 1 61 -12.430 -5.718 -4.932 1.00 0.00 O ATOM 0 H SER 1 61 -14.535 -4.669 -6.777 1.00 0.00 H new ATOM 0 HA SER 1 61 -12.433 -3.138 -5.439 1.00 0.00 H new ATOM 0 HB2 SER 1 61 -12.459 -5.765 -6.989 1.00 0.00 H new ATOM 0 HB3 SER 1 61 -11.016 -5.068 -6.278 1.00 0.00 H new ATOM 0 HG SER 1 61 -12.029 -6.610 -4.874 1.00 0.00 H new ATOM 1030 N ARG 1 62 -11.019 -2.370 -7.412 1.00 0.00 N ATOM 1031 CA ARG 1 62 -10.381 -1.661 -8.528 1.00 0.00 C ATOM 1032 C ARG 1 62 -9.252 -2.484 -9.156 1.00 0.00 C ATOM 1033 O ARG 1 62 -8.748 -2.135 -10.228 1.00 0.00 O ATOM 1034 CB ARG 1 62 -9.855 -0.297 -8.069 1.00 0.00 C ATOM 1035 CG ARG 1 62 -10.936 0.769 -7.971 1.00 0.00 C ATOM 1036 CD ARG 1 62 -10.374 2.100 -7.494 1.00 0.00 C ATOM 1037 NE ARG 1 62 -11.385 3.166 -7.530 1.00 0.00 N ATOM 1038 CZ ARG 1 62 -11.272 4.349 -6.908 1.00 0.00 C ATOM 1039 NH1 ARG 1 62 -10.194 4.651 -6.188 1.00 0.00 N ATOM 1040 NH2 ARG 1 62 -12.253 5.237 -7.011 1.00 0.00 N ATOM 0 H ARG 1 62 -10.513 -2.300 -6.529 1.00 0.00 H new ATOM 0 HA ARG 1 62 -11.142 -1.508 -9.293 1.00 0.00 H new ATOM 0 HB2 ARG 1 62 -9.378 -0.409 -7.096 1.00 0.00 H new ATOM 0 HB3 ARG 1 62 -9.086 0.040 -8.764 1.00 0.00 H new ATOM 0 HG2 ARG 1 62 -11.406 0.901 -8.946 1.00 0.00 H new ATOM 0 HG3 ARG 1 62 -11.714 0.436 -7.284 1.00 0.00 H new ATOM 0 HD2 ARG 1 62 -9.997 1.991 -6.477 1.00 0.00 H new ATOM 0 HD3 ARG 1 62 -9.527 2.382 -8.120 1.00 0.00 H new ATOM 0 HE ARG 1 62 -12.235 2.994 -8.067 1.00 0.00 H new ATOM 0 HH11 ARG 1 62 -9.433 3.977 -6.101 1.00 0.00 H new ATOM 0 HH12 ARG 1 62 -10.128 5.557 -5.723 1.00 0.00 H new ATOM 0 HH21 ARG 1 62 -13.084 5.017 -7.560 1.00 0.00 H new ATOM 0 HH22 ARG 1 62 -12.176 6.139 -6.541 1.00 0.00 H new ATOM 1054 N GLY 1 63 -8.870 -3.579 -8.486 1.00 0.00 N ATOM 1055 CA GLY 1 63 -7.816 -4.454 -8.986 1.00 0.00 C ATOM 1056 C GLY 1 63 -6.430 -4.101 -8.470 1.00 0.00 C ATOM 1057 O GLY 1 63 -5.444 -4.276 -9.191 1.00 0.00 O ATOM 0 H GLY 1 63 -9.277 -3.875 -7.599 1.00 0.00 H new ATOM 0 HA2 GLY 1 63 -8.047 -5.482 -8.706 1.00 0.00 H new ATOM 0 HA3 GLY 1 63 -7.809 -4.414 -10.075 1.00 0.00 H new ATOM 1061 N PHE 1 64 -6.354 -3.581 -7.233 1.00 0.00 N ATOM 1062 CA PHE 1 64 -5.072 -3.219 -6.612 1.00 0.00 C ATOM 1063 C PHE 1 64 -5.152 -3.325 -5.087 1.00 0.00 C ATOM 1064 O PHE 1 64 -6.219 -3.113 -4.501 1.00 0.00 O ATOM 1065 CB PHE 1 64 -4.606 -1.814 -7.068 1.00 0.00 C ATOM 1066 CG PHE 1 64 -5.295 -0.644 -6.416 1.00 0.00 C ATOM 1067 CD1 PHE 1 64 -6.233 0.101 -7.101 1.00 0.00 C ATOM 1068 CD2 PHE 1 64 -4.973 -0.290 -5.124 1.00 0.00 C ATOM 1069 CE1 PHE 1 64 -6.841 1.190 -6.502 1.00 0.00 C ATOM 1070 CE2 PHE 1 64 -5.575 0.790 -4.512 1.00 0.00 C ATOM 1071 CZ PHE 1 64 -6.510 1.536 -5.204 1.00 0.00 C ATOM 0 H PHE 1 64 -7.168 -3.402 -6.644 1.00 0.00 H new ATOM 0 HA PHE 1 64 -4.320 -3.932 -6.949 1.00 0.00 H new ATOM 0 HB2 PHE 1 64 -3.536 -1.730 -6.881 1.00 0.00 H new ATOM 0 HB3 PHE 1 64 -4.748 -1.739 -8.146 1.00 0.00 H new ATOM 0 HD1 PHE 1 64 -6.495 -0.168 -8.114 1.00 0.00 H new ATOM 0 HD2 PHE 1 64 -4.238 -0.867 -4.582 1.00 0.00 H new ATOM 0 HE1 PHE 1 64 -7.572 1.769 -7.047 1.00 0.00 H new ATOM 0 HE2 PHE 1 64 -5.317 1.051 -3.496 1.00 0.00 H new ATOM 0 HZ PHE 1 64 -6.981 2.386 -4.733 1.00 0.00 H new ATOM 1081 N GLY 1 65 -4.015 -3.650 -4.460 1.00 0.00 N ATOM 1082 CA GLY 1 65 -3.947 -3.778 -3.040 1.00 0.00 C ATOM 1083 C GLY 1 65 -2.518 -3.760 -2.563 1.00 0.00 C ATOM 1084 O GLY 1 65 -1.608 -3.413 -3.313 1.00 0.00 O ATOM 0 H GLY 1 65 -3.132 -3.826 -4.940 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -4.501 -2.964 -2.571 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -4.425 -4.708 -2.732 1.00 0.00 H new ATOM 1088 N PHE 1 66 -2.354 -4.092 -1.299 1.00 0.00 N ATOM 1089 CA PHE 1 66 -1.100 -4.150 -0.622 1.00 0.00 C ATOM 1090 C PHE 1 66 -1.042 -5.411 0.232 1.00 0.00 C ATOM 1091 O PHE 1 66 -2.070 -6.036 0.520 1.00 0.00 O ATOM 1092 CB PHE 1 66 -0.979 -2.933 0.266 1.00 0.00 C ATOM 1093 CG PHE 1 66 -0.881 -1.627 -0.471 1.00 0.00 C ATOM 1094 CD1 PHE 1 66 0.345 -1.019 -0.692 1.00 0.00 C ATOM 1095 CD2 PHE 1 66 -2.028 -1.008 -0.946 1.00 0.00 C ATOM 1096 CE1 PHE 1 66 0.422 0.183 -1.373 1.00 0.00 C ATOM 1097 CE2 PHE 1 66 -1.956 0.189 -1.628 1.00 0.00 C ATOM 1098 CZ PHE 1 66 -0.730 0.786 -1.842 1.00 0.00 C ATOM 0 H PHE 1 66 -3.139 -4.339 -0.697 1.00 0.00 H new ATOM 0 HA PHE 1 66 -0.284 -4.170 -1.344 1.00 0.00 H new ATOM 0 HB2 PHE 1 66 -1.843 -2.897 0.930 1.00 0.00 H new ATOM 0 HB3 PHE 1 66 -0.097 -3.046 0.897 1.00 0.00 H new ATOM 0 HD1 PHE 1 66 1.248 -1.488 -0.329 1.00 0.00 H new ATOM 0 HD2 PHE 1 66 -2.990 -1.469 -0.780 1.00 0.00 H new ATOM 0 HE1 PHE 1 66 1.382 0.650 -1.538 1.00 0.00 H new ATOM 0 HE2 PHE 1 66 -2.857 0.658 -1.994 1.00 0.00 H new ATOM 0 HZ PHE 1 66 -0.671 1.723 -2.375 1.00 0.00 H new ATOM 1108 N VAL 1 67 0.166 -5.771 0.617 1.00 0.00 N ATOM 1109 CA VAL 1 67 0.434 -6.928 1.464 1.00 0.00 C ATOM 1110 C VAL 1 67 1.658 -6.608 2.271 1.00 0.00 C ATOM 1111 O VAL 1 67 2.694 -6.191 1.742 1.00 0.00 O ATOM 1112 CB VAL 1 67 0.622 -8.276 0.686 1.00 0.00 C ATOM 1113 CG1 VAL 1 67 1.091 -9.406 1.614 1.00 0.00 C ATOM 1114 CG2 VAL 1 67 -0.664 -8.701 -0.023 1.00 0.00 C ATOM 0 H VAL 1 67 1.008 -5.262 0.348 1.00 0.00 H new ATOM 0 HA VAL 1 67 -0.441 -7.099 2.091 1.00 0.00 H new ATOM 0 HB VAL 1 67 1.393 -8.095 -0.063 1.00 0.00 H new ATOM 0 HG11 VAL 1 67 1.210 -10.324 1.038 1.00 0.00 H new ATOM 0 HG12 VAL 1 67 2.045 -9.134 2.065 1.00 0.00 H new ATOM 0 HG13 VAL 1 67 0.351 -9.563 2.399 1.00 0.00 H new ATOM 0 HG21 VAL 1 67 -0.495 -9.639 -0.551 1.00 0.00 H new ATOM 0 HG22 VAL 1 67 -1.457 -8.836 0.712 1.00 0.00 H new ATOM 0 HG23 VAL 1 67 -0.958 -7.931 -0.736 1.00 0.00 H new ATOM 1124 N THR 1 68 1.503 -6.815 3.550 1.00 0.00 N ATOM 1125 CA THR 1 68 2.526 -6.523 4.505 1.00 0.00 C ATOM 1126 C THR 1 68 3.209 -7.773 4.998 1.00 0.00 C ATOM 1127 O THR 1 68 2.650 -8.541 5.783 1.00 0.00 O ATOM 1128 CB THR 1 68 1.943 -5.750 5.673 1.00 0.00 C ATOM 1129 OG1 THR 1 68 0.915 -4.873 5.182 1.00 0.00 O ATOM 1130 CG2 THR 1 68 3.042 -4.975 6.395 1.00 0.00 C ATOM 0 H THR 1 68 0.650 -7.196 3.959 1.00 0.00 H new ATOM 0 HA THR 1 68 3.279 -5.913 4.006 1.00 0.00 H new ATOM 0 HB THR 1 68 1.503 -6.438 6.395 1.00 0.00 H new ATOM 0 HG1 THR 1 68 0.530 -4.370 5.929 1.00 0.00 H new ATOM 0 HG21 THR 1 68 2.610 -4.425 7.231 1.00 0.00 H new ATOM 0 HG22 THR 1 68 3.793 -5.671 6.768 1.00 0.00 H new ATOM 0 HG23 THR 1 68 3.509 -4.275 5.702 1.00 0.00 H new ATOM 1138 N PHE 1 69 4.435 -7.939 4.534 1.00 0.00 N ATOM 1139 CA PHE 1 69 5.259 -9.066 4.903 1.00 0.00 C ATOM 1140 C PHE 1 69 5.978 -8.835 6.236 1.00 0.00 C ATOM 1141 O PHE 1 69 6.732 -7.868 6.384 1.00 0.00 O ATOM 1142 CB PHE 1 69 6.250 -9.350 3.794 1.00 0.00 C ATOM 1143 CG PHE 1 69 5.649 -10.168 2.693 1.00 0.00 C ATOM 1144 CD1 PHE 1 69 5.171 -9.560 1.548 1.00 0.00 C ATOM 1145 CD2 PHE 1 69 5.542 -11.544 2.816 1.00 0.00 C ATOM 1146 CE1 PHE 1 69 4.602 -10.312 0.538 1.00 0.00 C ATOM 1147 CE2 PHE 1 69 4.976 -12.299 1.814 1.00 0.00 C ATOM 1148 CZ PHE 1 69 4.508 -11.685 0.676 1.00 0.00 C ATOM 0 H PHE 1 69 4.885 -7.290 3.888 1.00 0.00 H new ATOM 0 HA PHE 1 69 4.614 -9.934 5.041 1.00 0.00 H new ATOM 0 HB2 PHE 1 69 6.616 -8.408 3.386 1.00 0.00 H new ATOM 0 HB3 PHE 1 69 7.112 -9.875 4.205 1.00 0.00 H new ATOM 0 HD1 PHE 1 69 5.243 -8.488 1.442 1.00 0.00 H new ATOM 0 HD2 PHE 1 69 5.907 -12.030 3.709 1.00 0.00 H new ATOM 0 HE1 PHE 1 69 4.232 -9.830 -0.355 1.00 0.00 H new ATOM 0 HE2 PHE 1 69 4.900 -13.371 1.921 1.00 0.00 H new ATOM 0 HZ PHE 1 69 4.066 -12.276 -0.112 1.00 0.00 H new ATOM 1158 N ALA 1 70 5.736 -9.739 7.197 1.00 0.00 N ATOM 1159 CA ALA 1 70 6.328 -9.647 8.537 1.00 0.00 C ATOM 1160 C ALA 1 70 7.783 -10.099 8.601 1.00 0.00 C ATOM 1161 O ALA 1 70 8.405 -10.111 9.672 1.00 0.00 O ATOM 1162 CB ALA 1 70 5.485 -10.412 9.549 1.00 0.00 C ATOM 0 H ALA 1 70 5.129 -10.548 7.067 1.00 0.00 H new ATOM 0 HA ALA 1 70 6.331 -8.587 8.791 1.00 0.00 H new ATOM 0 HB1 ALA 1 70 5.940 -10.332 10.536 1.00 0.00 H new ATOM 0 HB2 ALA 1 70 4.480 -9.991 9.578 1.00 0.00 H new ATOM 0 HB3 ALA 1 70 5.431 -11.461 9.258 1.00 0.00 H new ATOM 1168 N ASP 1 71 8.307 -10.445 7.450 1.00 0.00 N ATOM 1169 CA ASP 1 71 9.667 -10.901 7.316 1.00 0.00 C ATOM 1170 C ASP 1 71 10.404 -10.144 6.217 1.00 0.00 C ATOM 1171 O ASP 1 71 9.849 -9.954 5.129 1.00 0.00 O ATOM 1172 CB ASP 1 71 9.682 -12.377 6.965 1.00 0.00 C ATOM 1173 CG ASP 1 71 10.936 -13.104 7.424 1.00 0.00 C ATOM 1174 OD1 ASP 1 71 12.047 -12.656 7.076 1.00 0.00 O ATOM 1175 OD2 ASP 1 71 10.802 -14.123 8.133 1.00 0.00 O ATOM 0 H ASP 1 71 7.793 -10.417 6.569 1.00 0.00 H new ATOM 0 HA ASP 1 71 10.167 -10.724 8.268 1.00 0.00 H new ATOM 0 HB2 ASP 1 71 8.811 -12.856 7.412 1.00 0.00 H new ATOM 0 HB3 ASP 1 71 9.585 -12.485 5.885 1.00 0.00 H new ATOM 1180 N PRO 1 72 11.660 -9.685 6.476 1.00 0.00 N ATOM 1181 CA PRO 1 72 12.475 -9.021 5.451 1.00 0.00 C ATOM 1182 C PRO 1 72 12.996 -10.010 4.423 1.00 0.00 C ATOM 1183 O PRO 1 72 13.438 -9.626 3.335 1.00 0.00 O ATOM 1184 CB PRO 1 72 13.650 -8.441 6.214 1.00 0.00 C ATOM 1185 CG PRO 1 72 13.322 -8.568 7.662 1.00 0.00 C ATOM 1186 CD PRO 1 72 12.374 -9.721 7.773 1.00 0.00 C ATOM 0 HA PRO 1 72 11.893 -8.276 4.909 1.00 0.00 H new ATOM 0 HB2 PRO 1 72 14.569 -8.977 5.976 1.00 0.00 H new ATOM 0 HB3 PRO 1 72 13.811 -7.397 5.943 1.00 0.00 H new ATOM 0 HG2 PRO 1 72 14.222 -8.745 8.251 1.00 0.00 H new ATOM 0 HG3 PRO 1 72 12.868 -7.652 8.041 1.00 0.00 H new ATOM 0 HD2 PRO 1 72 12.900 -10.664 7.919 1.00 0.00 H new ATOM 0 HD3 PRO 1 72 11.691 -9.603 8.614 1.00 0.00 H new ATOM 1194 N ALA 1 73 12.928 -11.290 4.794 1.00 0.00 N ATOM 1195 CA ALA 1 73 13.398 -12.378 3.942 1.00 0.00 C ATOM 1196 C ALA 1 73 12.432 -12.660 2.802 1.00 0.00 C ATOM 1197 O ALA 1 73 12.846 -13.041 1.704 1.00 0.00 O ATOM 1198 CB ALA 1 73 13.645 -13.641 4.755 1.00 0.00 C ATOM 0 H ALA 1 73 12.547 -11.598 5.689 1.00 0.00 H new ATOM 0 HA ALA 1 73 14.343 -12.057 3.504 1.00 0.00 H new ATOM 0 HB1 ALA 1 73 13.994 -14.436 4.096 1.00 0.00 H new ATOM 0 HB2 ALA 1 73 14.400 -13.442 5.516 1.00 0.00 H new ATOM 0 HB3 ALA 1 73 12.718 -13.951 5.237 1.00 0.00 H new ATOM 1204 N SER 1 74 11.148 -12.445 3.078 1.00 0.00 N ATOM 1205 CA SER 1 74 10.082 -12.662 2.090 1.00 0.00 C ATOM 1206 C SER 1 74 10.140 -11.623 0.984 1.00 0.00 C ATOM 1207 O SER 1 74 9.793 -11.896 -0.168 1.00 0.00 O ATOM 1208 CB SER 1 74 8.712 -12.656 2.754 1.00 0.00 C ATOM 1209 OG SER 1 74 7.768 -13.327 1.941 1.00 0.00 O ATOM 0 H SER 1 74 10.814 -12.118 3.984 1.00 0.00 H new ATOM 0 HA SER 1 74 10.242 -13.643 1.644 1.00 0.00 H new ATOM 0 HB2 SER 1 74 8.771 -13.140 3.729 1.00 0.00 H new ATOM 0 HB3 SER 1 74 8.389 -11.629 2.927 1.00 0.00 H new ATOM 0 HG SER 1 74 6.863 -13.046 2.191 1.00 0.00 H new ATOM 1215 N VAL 1 75 10.588 -10.428 1.365 1.00 0.00 N ATOM 1216 CA VAL 1 75 10.750 -9.300 0.449 1.00 0.00 C ATOM 1217 C VAL 1 75 11.907 -9.581 -0.499 1.00 0.00 C ATOM 1218 O VAL 1 75 11.895 -9.165 -1.655 1.00 0.00 O ATOM 1219 CB VAL 1 75 11.009 -7.962 1.212 1.00 0.00 C ATOM 1220 CG1 VAL 1 75 10.916 -6.746 0.290 1.00 0.00 C ATOM 1221 CG2 VAL 1 75 10.048 -7.792 2.386 1.00 0.00 C ATOM 0 H VAL 1 75 10.851 -10.213 2.327 1.00 0.00 H new ATOM 0 HA VAL 1 75 9.822 -9.187 -0.111 1.00 0.00 H new ATOM 0 HB VAL 1 75 12.027 -8.022 1.596 1.00 0.00 H new ATOM 0 HG11 VAL 1 75 11.103 -5.839 0.864 1.00 0.00 H new ATOM 0 HG12 VAL 1 75 11.659 -6.833 -0.503 1.00 0.00 H new ATOM 0 HG13 VAL 1 75 9.920 -6.698 -0.150 1.00 0.00 H new ATOM 0 HG21 VAL 1 75 10.257 -6.850 2.894 1.00 0.00 H new ATOM 0 HG22 VAL 1 75 9.022 -7.786 2.018 1.00 0.00 H new ATOM 0 HG23 VAL 1 75 10.178 -8.618 3.085 1.00 0.00 H new ATOM 1231 N ASP 1 76 12.886 -10.314 0.027 1.00 0.00 N ATOM 1232 CA ASP 1 76 14.069 -10.725 -0.710 1.00 0.00 C ATOM 1233 C ASP 1 76 13.698 -11.786 -1.742 1.00 0.00 C ATOM 1234 O ASP 1 76 14.155 -11.763 -2.888 1.00 0.00 O ATOM 1235 CB ASP 1 76 15.095 -11.280 0.272 1.00 0.00 C ATOM 1236 CG ASP 1 76 16.526 -11.095 -0.197 1.00 0.00 C ATOM 1237 OD1 ASP 1 76 17.005 -11.936 -0.987 1.00 0.00 O ATOM 1238 OD2 ASP 1 76 17.166 -10.110 0.225 1.00 0.00 O ATOM 0 H ASP 1 76 12.875 -10.642 0.993 1.00 0.00 H new ATOM 0 HA ASP 1 76 14.493 -9.868 -1.234 1.00 0.00 H new ATOM 0 HB2 ASP 1 76 14.969 -10.789 1.237 1.00 0.00 H new ATOM 0 HB3 ASP 1 76 14.904 -12.342 0.427 1.00 0.00 H new ATOM 1243 N LYS 1 77 12.838 -12.698 -1.293 1.00 0.00 N ATOM 1244 CA LYS 1 77 12.328 -13.802 -2.109 1.00 0.00 C ATOM 1245 C LYS 1 77 11.458 -13.299 -3.262 1.00 0.00 C ATOM 1246 O LYS 1 77 11.584 -13.770 -4.396 1.00 0.00 O ATOM 1247 CB LYS 1 77 11.539 -14.799 -1.249 1.00 0.00 C ATOM 1248 CG LYS 1 77 12.389 -15.551 -0.232 1.00 0.00 C ATOM 1249 CD LYS 1 77 11.670 -16.784 0.289 1.00 0.00 C ATOM 1250 CE LYS 1 77 12.544 -17.582 1.243 1.00 0.00 C ATOM 1251 NZ LYS 1 77 11.847 -18.797 1.746 1.00 0.00 N ATOM 0 H LYS 1 77 12.470 -12.693 -0.342 1.00 0.00 H new ATOM 0 HA LYS 1 77 13.192 -14.311 -2.537 1.00 0.00 H new ATOM 0 HB2 LYS 1 77 10.750 -14.263 -0.722 1.00 0.00 H new ATOM 0 HB3 LYS 1 77 11.051 -15.521 -1.904 1.00 0.00 H new ATOM 0 HG2 LYS 1 77 13.333 -15.845 -0.691 1.00 0.00 H new ATOM 0 HG3 LYS 1 77 12.632 -14.891 0.601 1.00 0.00 H new ATOM 0 HD2 LYS 1 77 10.755 -16.484 0.799 1.00 0.00 H new ATOM 0 HD3 LYS 1 77 11.375 -17.415 -0.549 1.00 0.00 H new ATOM 0 HE2 LYS 1 77 13.463 -17.874 0.735 1.00 0.00 H new ATOM 0 HE3 LYS 1 77 12.831 -16.953 2.085 1.00 0.00 H new ATOM 0 HZ1 LYS 1 77 12.475 -19.315 2.393 1.00 0.00 H new ATOM 0 HZ2 LYS 1 77 10.983 -18.517 2.252 1.00 0.00 H new ATOM 0 HZ3 LYS 1 77 11.595 -19.410 0.944 1.00 0.00 H new ATOM 1265 N VAL 1 78 10.616 -12.306 -2.960 1.00 0.00 N ATOM 1266 CA VAL 1 78 9.712 -11.698 -3.948 1.00 0.00 C ATOM 1267 C VAL 1 78 10.487 -10.757 -4.891 1.00 0.00 C ATOM 1268 O VAL 1 78 10.121 -10.601 -6.060 1.00 0.00 O ATOM 1269 CB VAL 1 78 8.524 -10.944 -3.265 1.00 0.00 C ATOM 1270 CG1 VAL 1 78 7.600 -10.276 -4.285 1.00 0.00 C ATOM 1271 CG2 VAL 1 78 7.710 -11.899 -2.395 1.00 0.00 C ATOM 0 H VAL 1 78 10.540 -11.900 -2.027 1.00 0.00 H new ATOM 0 HA VAL 1 78 9.285 -12.508 -4.540 1.00 0.00 H new ATOM 0 HB VAL 1 78 8.963 -10.163 -2.644 1.00 0.00 H new ATOM 0 HG11 VAL 1 78 6.791 -9.765 -3.763 1.00 0.00 H new ATOM 0 HG12 VAL 1 78 8.167 -9.553 -4.871 1.00 0.00 H new ATOM 0 HG13 VAL 1 78 7.183 -11.033 -4.949 1.00 0.00 H new ATOM 0 HG21 VAL 1 78 6.888 -11.355 -1.929 1.00 0.00 H new ATOM 0 HG22 VAL 1 78 7.309 -12.702 -3.013 1.00 0.00 H new ATOM 0 HG23 VAL 1 78 8.351 -12.322 -1.621 1.00 0.00 H new ATOM 1281 N LEU 1 79 11.549 -10.127 -4.356 1.00 0.00 N ATOM 1282 CA LEU 1 79 12.402 -9.212 -5.088 1.00 0.00 C ATOM 1283 C LEU 1 79 13.116 -9.899 -6.257 1.00 0.00 C ATOM 1284 O LEU 1 79 13.289 -9.301 -7.322 1.00 0.00 O ATOM 1285 CB LEU 1 79 13.418 -8.680 -4.082 1.00 0.00 C ATOM 1286 CG LEU 1 79 13.712 -7.173 -4.071 1.00 0.00 C ATOM 1287 CD1 LEU 1 79 14.455 -6.733 -5.330 1.00 0.00 C ATOM 1288 CD2 LEU 1 79 12.438 -6.349 -3.871 1.00 0.00 C ATOM 0 H LEU 1 79 11.832 -10.251 -3.384 1.00 0.00 H new ATOM 0 HA LEU 1 79 11.807 -8.412 -5.528 1.00 0.00 H new ATOM 0 HB2 LEU 1 79 13.076 -8.959 -3.085 1.00 0.00 H new ATOM 0 HB3 LEU 1 79 14.360 -9.201 -4.254 1.00 0.00 H new ATOM 0 HG LEU 1 79 14.365 -6.985 -3.219 1.00 0.00 H new ATOM 0 HD11 LEU 1 79 14.645 -5.661 -5.285 1.00 0.00 H new ATOM 0 HD12 LEU 1 79 15.403 -7.267 -5.398 1.00 0.00 H new ATOM 0 HD13 LEU 1 79 13.849 -6.957 -6.207 1.00 0.00 H new ATOM 0 HD21 LEU 1 79 12.688 -5.288 -3.869 1.00 0.00 H new ATOM 0 HD22 LEU 1 79 11.740 -6.556 -4.682 1.00 0.00 H new ATOM 0 HD23 LEU 1 79 11.978 -6.615 -2.919 1.00 0.00 H new ATOM 1300 N GLY 1 80 13.521 -11.162 -6.039 1.00 0.00 N ATOM 1301 CA GLY 1 80 14.194 -11.940 -7.064 1.00 0.00 C ATOM 1302 C GLY 1 80 13.245 -12.470 -8.124 1.00 0.00 C ATOM 1303 O GLY 1 80 13.643 -12.699 -9.269 1.00 0.00 O ATOM 0 H GLY 1 80 13.388 -11.656 -5.157 1.00 0.00 H new ATOM 0 HA2 GLY 1 80 14.954 -11.322 -7.541 1.00 0.00 H new ATOM 0 HA3 GLY 1 80 14.712 -12.777 -6.596 1.00 0.00 H new ATOM 1307 N GLN 1 81 11.995 -12.668 -7.719 1.00 0.00 N ATOM 1308 CA GLN 1 81 10.949 -13.151 -8.589 1.00 0.00 C ATOM 1309 C GLN 1 81 9.985 -12.002 -8.959 1.00 0.00 C ATOM 1310 O GLN 1 81 8.991 -11.772 -8.258 1.00 0.00 O ATOM 1311 CB GLN 1 81 10.220 -14.282 -7.869 1.00 0.00 C ATOM 1312 CG GLN 1 81 11.036 -15.562 -7.789 1.00 0.00 C ATOM 1313 CD GLN 1 81 10.306 -16.689 -7.088 1.00 0.00 C ATOM 1314 OE1 GLN 1 81 10.442 -16.873 -5.879 1.00 0.00 O ATOM 1315 NE2 GLN 1 81 9.526 -17.452 -7.845 1.00 0.00 N ATOM 0 H GLN 1 81 11.684 -12.493 -6.763 1.00 0.00 H new ATOM 0 HA GLN 1 81 11.370 -13.528 -9.521 1.00 0.00 H new ATOM 0 HB2 GLN 1 81 9.965 -13.957 -6.860 1.00 0.00 H new ATOM 0 HB3 GLN 1 81 9.282 -14.488 -8.385 1.00 0.00 H new ATOM 0 HG2 GLN 1 81 11.301 -15.880 -8.797 1.00 0.00 H new ATOM 0 HG3 GLN 1 81 11.969 -15.359 -7.263 1.00 0.00 H new ATOM 0 HE21 GLN 1 81 9.443 -17.263 -8.844 1.00 0.00 H new ATOM 0 HE22 GLN 1 81 9.010 -18.227 -7.427 1.00 0.00 H new ATOM 1324 N PRO 1 82 10.274 -11.238 -10.061 1.00 0.00 N ATOM 1325 CA PRO 1 82 9.426 -10.107 -10.494 1.00 0.00 C ATOM 1326 C PRO 1 82 8.139 -10.537 -11.206 1.00 0.00 C ATOM 1327 O PRO 1 82 7.182 -9.760 -11.275 1.00 0.00 O ATOM 1328 CB PRO 1 82 10.321 -9.325 -11.474 1.00 0.00 C ATOM 1329 CG PRO 1 82 11.663 -9.985 -11.436 1.00 0.00 C ATOM 1330 CD PRO 1 82 11.432 -11.390 -10.964 1.00 0.00 C ATOM 0 HA PRO 1 82 9.090 -9.532 -9.631 1.00 0.00 H new ATOM 0 HB2 PRO 1 82 9.906 -9.347 -12.482 1.00 0.00 H new ATOM 0 HB3 PRO 1 82 10.395 -8.277 -11.182 1.00 0.00 H new ATOM 0 HG2 PRO 1 82 12.127 -9.978 -12.422 1.00 0.00 H new ATOM 0 HG3 PRO 1 82 12.337 -9.455 -10.763 1.00 0.00 H new ATOM 0 HD2 PRO 1 82 11.215 -12.066 -11.792 1.00 0.00 H new ATOM 0 HD3 PRO 1 82 12.302 -11.792 -10.444 1.00 0.00 H new ATOM 1338 N HIS 1 83 8.116 -11.776 -11.714 1.00 0.00 N ATOM 1339 CA HIS 1 83 6.954 -12.305 -12.427 1.00 0.00 C ATOM 1340 C HIS 1 83 5.960 -12.952 -11.456 1.00 0.00 C ATOM 1341 O HIS 1 83 6.327 -13.835 -10.676 1.00 0.00 O ATOM 1342 CB HIS 1 83 7.412 -13.320 -13.479 1.00 0.00 C ATOM 1343 CG HIS 1 83 6.447 -13.489 -14.616 1.00 0.00 C ATOM 1344 ND1 HIS 1 83 5.483 -14.474 -14.649 1.00 0.00 N ATOM 1345 CD2 HIS 1 83 6.293 -12.776 -15.759 1.00 0.00 C ATOM 1346 CE1 HIS 1 83 4.779 -14.362 -15.761 1.00 0.00 C ATOM 1347 NE2 HIS 1 83 5.250 -13.339 -16.450 1.00 0.00 N ATOM 0 H HIS 1 83 8.895 -12.431 -11.642 1.00 0.00 H new ATOM 0 HA HIS 1 83 6.445 -11.479 -12.923 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 8.377 -13.007 -13.877 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 7.564 -14.286 -12.997 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 6.881 -11.924 -16.068 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 3.958 -14.999 -16.056 1.00 0.00 H new ATOM 0 HE2 HIS 1 83 4.895 -13.019 -17.351 1.00 0.00 H new ATOM 1356 N HIS 1 84 4.708 -12.478 -11.503 1.00 0.00 N ATOM 1357 CA HIS 1 84 3.638 -12.980 -10.660 1.00 0.00 C ATOM 1358 C HIS 1 84 2.385 -13.162 -11.502 1.00 0.00 C ATOM 1359 O HIS 1 84 1.904 -12.211 -12.132 1.00 0.00 O ATOM 1360 CB HIS 1 84 3.371 -12.005 -9.518 1.00 0.00 C ATOM 1361 CG HIS 1 84 3.048 -12.680 -8.221 1.00 0.00 C ATOM 1362 ND1 HIS 1 84 3.993 -12.934 -7.249 1.00 0.00 N ATOM 1363 CD2 HIS 1 84 1.878 -13.170 -7.745 1.00 0.00 C ATOM 1364 CE1 HIS 1 84 3.419 -13.554 -6.233 1.00 0.00 C ATOM 1365 NE2 HIS 1 84 2.138 -13.708 -6.509 1.00 0.00 N ATOM 0 H HIS 1 84 4.417 -11.731 -12.134 1.00 0.00 H new ATOM 0 HA HIS 1 84 3.929 -13.940 -10.232 1.00 0.00 H new ATOM 0 HB2 HIS 1 84 4.246 -11.370 -9.380 1.00 0.00 H new ATOM 0 HB3 HIS 1 84 2.544 -11.351 -9.794 1.00 0.00 H new ATOM 0 HD2 HIS 1 84 0.921 -13.143 -8.244 1.00 0.00 H new ATOM 0 HE1 HIS 1 84 3.914 -13.879 -5.330 1.00 0.00 H new ATOM 0 HE2 HIS 1 84 1.451 -14.155 -5.902 1.00 0.00 H new ATOM 1374 N GLU 1 85 1.870 -14.382 -11.511 1.00 0.00 N ATOM 1375 CA GLU 1 85 0.703 -14.714 -12.262 1.00 0.00 C ATOM 1376 C GLU 1 85 -0.441 -15.056 -11.330 1.00 0.00 C ATOM 1377 O GLU 1 85 -0.286 -15.799 -10.356 1.00 0.00 O ATOM 1378 CB GLU 1 85 0.997 -15.879 -13.214 1.00 0.00 C ATOM 1379 CG GLU 1 85 0.246 -15.802 -14.534 1.00 0.00 C ATOM 1380 CD GLU 1 85 0.629 -16.914 -15.490 1.00 0.00 C ATOM 1381 OE1 GLU 1 85 -0.013 -17.985 -15.444 1.00 0.00 O ATOM 1382 OE2 GLU 1 85 1.570 -16.714 -16.286 1.00 0.00 O ATOM 0 H GLU 1 85 2.264 -15.164 -10.989 1.00 0.00 H new ATOM 0 HA GLU 1 85 0.411 -13.850 -12.859 1.00 0.00 H new ATOM 0 HB2 GLU 1 85 2.067 -15.907 -13.418 1.00 0.00 H new ATOM 0 HB3 GLU 1 85 0.742 -16.815 -12.717 1.00 0.00 H new ATOM 0 HG2 GLU 1 85 -0.826 -15.847 -14.341 1.00 0.00 H new ATOM 0 HG3 GLU 1 85 0.444 -14.839 -15.005 1.00 0.00 H new ATOM 1389 N LEU 1 86 -1.577 -14.484 -11.667 1.00 0.00 N ATOM 1390 CA LEU 1 86 -2.817 -14.648 -10.965 1.00 0.00 C ATOM 1391 C LEU 1 86 -3.925 -14.675 -11.999 1.00 0.00 C ATOM 1392 O LEU 1 86 -3.991 -13.816 -12.879 1.00 0.00 O ATOM 1393 CB LEU 1 86 -3.019 -13.488 -9.988 1.00 0.00 C ATOM 1394 CG LEU 1 86 -4.428 -13.318 -9.423 1.00 0.00 C ATOM 1395 CD1 LEU 1 86 -4.684 -14.266 -8.257 1.00 0.00 C ATOM 1396 CD2 LEU 1 86 -4.659 -11.875 -9.008 1.00 0.00 C ATOM 0 H LEU 1 86 -1.657 -13.866 -12.475 1.00 0.00 H new ATOM 0 HA LEU 1 86 -2.819 -15.573 -10.388 1.00 0.00 H new ATOM 0 HB2 LEU 1 86 -2.329 -13.619 -9.154 1.00 0.00 H new ATOM 0 HB3 LEU 1 86 -2.738 -12.563 -10.492 1.00 0.00 H new ATOM 0 HG LEU 1 86 -5.138 -13.573 -10.210 1.00 0.00 H new ATOM 0 HD11 LEU 1 86 -5.696 -14.116 -7.881 1.00 0.00 H new ATOM 0 HD12 LEU 1 86 -4.571 -15.296 -8.594 1.00 0.00 H new ATOM 0 HD13 LEU 1 86 -3.968 -14.065 -7.460 1.00 0.00 H new ATOM 0 HD21 LEU 1 86 -5.667 -11.769 -8.607 1.00 0.00 H new ATOM 0 HD22 LEU 1 86 -3.933 -11.595 -8.244 1.00 0.00 H new ATOM 0 HD23 LEU 1 86 -4.542 -11.224 -9.875 1.00 0.00 H new ATOM 1408 N ASP 1 87 -4.792 -15.666 -11.859 1.00 0.00 N ATOM 1409 CA ASP 1 87 -5.942 -15.904 -12.749 1.00 0.00 C ATOM 1410 C ASP 1 87 -5.516 -15.941 -14.217 1.00 0.00 C ATOM 1411 O ASP 1 87 -6.222 -15.489 -15.129 1.00 0.00 O ATOM 1412 CB ASP 1 87 -6.962 -14.827 -12.488 1.00 0.00 C ATOM 1413 CG ASP 1 87 -8.344 -15.130 -13.048 1.00 0.00 C ATOM 1414 OD1 ASP 1 87 -8.684 -14.586 -14.118 1.00 0.00 O ATOM 1415 OD2 ASP 1 87 -9.079 -15.917 -12.415 1.00 0.00 O ATOM 0 H ASP 1 87 -4.722 -16.351 -11.106 1.00 0.00 H new ATOM 0 HA ASP 1 87 -6.379 -16.880 -12.540 1.00 0.00 H new ATOM 0 HB2 ASP 1 87 -7.044 -14.672 -11.412 1.00 0.00 H new ATOM 0 HB3 ASP 1 87 -6.605 -13.891 -12.918 1.00 0.00 H new ATOM 1420 N SER 1 88 -4.338 -16.520 -14.396 1.00 0.00 N ATOM 1421 CA SER 1 88 -3.673 -16.699 -15.706 1.00 0.00 C ATOM 1422 C SER 1 88 -3.189 -15.363 -16.301 1.00 0.00 C ATOM 1423 O SER 1 88 -2.744 -15.317 -17.456 1.00 0.00 O ATOM 1424 CB SER 1 88 -4.579 -17.445 -16.706 1.00 0.00 C ATOM 1425 OG SER 1 88 -4.827 -18.773 -16.276 1.00 0.00 O ATOM 0 H SER 1 88 -3.792 -16.894 -13.620 1.00 0.00 H new ATOM 0 HA SER 1 88 -2.792 -17.314 -15.524 1.00 0.00 H new ATOM 0 HB2 SER 1 88 -5.524 -16.912 -16.814 1.00 0.00 H new ATOM 0 HB3 SER 1 88 -4.107 -17.459 -17.688 1.00 0.00 H new ATOM 0 HG SER 1 88 -5.405 -19.225 -16.926 1.00 0.00 H new ATOM 1431 N LYS 1 89 -3.257 -14.284 -15.504 1.00 0.00 N ATOM 1432 CA LYS 1 89 -2.813 -12.977 -15.944 1.00 0.00 C ATOM 1433 C LYS 1 89 -1.732 -12.450 -15.024 1.00 0.00 C ATOM 1434 O LYS 1 89 -1.662 -12.784 -13.839 1.00 0.00 O ATOM 1435 CB LYS 1 89 -3.961 -11.951 -16.079 1.00 0.00 C ATOM 1436 CG LYS 1 89 -5.080 -12.053 -15.044 1.00 0.00 C ATOM 1437 CD LYS 1 89 -6.241 -11.138 -15.398 1.00 0.00 C ATOM 1438 CE LYS 1 89 -7.272 -11.088 -14.284 1.00 0.00 C ATOM 1439 NZ LYS 1 89 -8.409 -10.186 -14.621 1.00 0.00 N ATOM 0 H LYS 1 89 -3.619 -14.305 -14.550 1.00 0.00 H new ATOM 0 HA LYS 1 89 -2.405 -13.110 -16.946 1.00 0.00 H new ATOM 0 HB2 LYS 1 89 -3.534 -10.950 -16.025 1.00 0.00 H new ATOM 0 HB3 LYS 1 89 -4.401 -12.057 -17.071 1.00 0.00 H new ATOM 0 HG2 LYS 1 89 -5.431 -13.083 -14.984 1.00 0.00 H new ATOM 0 HG3 LYS 1 89 -4.693 -11.790 -14.059 1.00 0.00 H new ATOM 0 HD2 LYS 1 89 -5.867 -10.133 -15.594 1.00 0.00 H new ATOM 0 HD3 LYS 1 89 -6.713 -11.487 -16.316 1.00 0.00 H new ATOM 0 HE2 LYS 1 89 -7.650 -12.093 -14.093 1.00 0.00 H new ATOM 0 HE3 LYS 1 89 -6.797 -10.746 -13.365 1.00 0.00 H new ATOM 0 HZ1 LYS 1 89 -9.091 -10.179 -13.836 1.00 0.00 H new ATOM 0 HZ2 LYS 1 89 -8.052 -9.222 -14.778 1.00 0.00 H new ATOM 0 HZ3 LYS 1 89 -8.878 -10.527 -15.484 1.00 0.00 H new ATOM 1453 N THR 1 90 -0.904 -11.623 -15.618 1.00 0.00 N ATOM 1454 CA THR 1 90 0.244 -10.996 -14.955 1.00 0.00 C ATOM 1455 C THR 1 90 -0.171 -9.753 -14.153 1.00 0.00 C ATOM 1456 O THR 1 90 -0.772 -8.824 -14.701 1.00 0.00 O ATOM 1457 CB THR 1 90 1.320 -10.599 -15.995 1.00 0.00 C ATOM 1458 OG1 THR 1 90 1.413 -11.600 -17.018 1.00 0.00 O ATOM 1459 CG2 THR 1 90 2.693 -10.422 -15.348 1.00 0.00 C ATOM 0 H THR 1 90 -1.001 -11.353 -16.597 1.00 0.00 H new ATOM 0 HA THR 1 90 0.656 -11.730 -14.262 1.00 0.00 H new ATOM 0 HB THR 1 90 1.015 -9.647 -16.429 1.00 0.00 H new ATOM 0 HG1 THR 1 90 2.095 -11.338 -17.671 1.00 0.00 H new ATOM 0 HG21 THR 1 90 3.421 -10.144 -16.110 1.00 0.00 H new ATOM 0 HG22 THR 1 90 2.641 -9.638 -14.592 1.00 0.00 H new ATOM 0 HG23 THR 1 90 2.998 -11.358 -14.880 1.00 0.00 H new ATOM 1467 N ILE 1 91 0.166 -9.755 -12.857 1.00 0.00 N ATOM 1468 CA ILE 1 91 -0.142 -8.632 -11.961 1.00 0.00 C ATOM 1469 C ILE 1 91 1.153 -7.896 -11.576 1.00 0.00 C ATOM 1470 O ILE 1 91 2.246 -8.387 -11.880 1.00 0.00 O ATOM 1471 CB ILE 1 91 -0.988 -9.086 -10.732 1.00 0.00 C ATOM 1472 CG1 ILE 1 91 -0.288 -10.131 -9.861 1.00 0.00 C ATOM 1473 CG2 ILE 1 91 -2.323 -9.635 -11.227 1.00 0.00 C ATOM 1474 CD1 ILE 1 91 -0.966 -10.352 -8.517 1.00 0.00 C ATOM 0 H ILE 1 91 0.655 -10.527 -12.403 1.00 0.00 H new ATOM 0 HA ILE 1 91 -0.772 -7.918 -12.491 1.00 0.00 H new ATOM 0 HB ILE 1 91 -1.134 -8.210 -10.099 1.00 0.00 H new ATOM 0 HG12 ILE 1 91 -0.252 -11.077 -10.401 1.00 0.00 H new ATOM 0 HG13 ILE 1 91 0.743 -9.820 -9.692 1.00 0.00 H new ATOM 0 HG21 ILE 1 91 -2.923 -9.956 -10.375 1.00 0.00 H new ATOM 0 HG22 ILE 1 91 -2.856 -8.857 -11.774 1.00 0.00 H new ATOM 0 HG23 ILE 1 91 -2.145 -10.485 -11.886 1.00 0.00 H new ATOM 0 HD11 ILE 1 91 -0.417 -11.105 -7.952 1.00 0.00 H new ATOM 0 HD12 ILE 1 91 -0.979 -9.417 -7.958 1.00 0.00 H new ATOM 0 HD13 ILE 1 91 -1.989 -10.693 -8.677 1.00 0.00 H new ATOM 1486 N ASP 1 92 1.051 -6.725 -10.924 1.00 0.00 N ATOM 1487 CA ASP 1 92 2.247 -5.950 -10.614 1.00 0.00 C ATOM 1488 C ASP 1 92 2.533 -5.765 -9.105 1.00 0.00 C ATOM 1489 O ASP 1 92 2.141 -4.745 -8.523 1.00 0.00 O ATOM 1490 CB ASP 1 92 2.127 -4.590 -11.312 1.00 0.00 C ATOM 1491 CG ASP 1 92 3.464 -3.885 -11.491 1.00 0.00 C ATOM 1492 OD1 ASP 1 92 3.711 -2.895 -10.771 1.00 0.00 O ATOM 1493 OD2 ASP 1 92 4.259 -4.328 -12.345 1.00 0.00 O ATOM 0 H ASP 1 92 0.173 -6.309 -10.612 1.00 0.00 H new ATOM 0 HA ASP 1 92 3.101 -6.519 -10.982 1.00 0.00 H new ATOM 0 HB2 ASP 1 92 1.665 -4.730 -12.289 1.00 0.00 H new ATOM 0 HB3 ASP 1 92 1.461 -3.950 -10.733 1.00 0.00 H new ATOM 1498 N PRO 1 93 3.184 -6.761 -8.426 1.00 0.00 N ATOM 1499 CA PRO 1 93 3.581 -6.612 -7.020 1.00 0.00 C ATOM 1500 C PRO 1 93 4.913 -5.857 -6.906 1.00 0.00 C ATOM 1501 O PRO 1 93 5.921 -6.272 -7.490 1.00 0.00 O ATOM 1502 CB PRO 1 93 3.715 -8.065 -6.516 1.00 0.00 C ATOM 1503 CG PRO 1 93 3.307 -8.937 -7.666 1.00 0.00 C ATOM 1504 CD PRO 1 93 3.503 -8.116 -8.910 1.00 0.00 C ATOM 0 HA PRO 1 93 2.864 -6.035 -6.436 1.00 0.00 H new ATOM 0 HB2 PRO 1 93 4.738 -8.279 -6.207 1.00 0.00 H new ATOM 0 HB3 PRO 1 93 3.078 -8.238 -5.649 1.00 0.00 H new ATOM 0 HG2 PRO 1 93 3.911 -9.844 -7.700 1.00 0.00 H new ATOM 0 HG3 PRO 1 93 2.268 -9.250 -7.567 1.00 0.00 H new ATOM 0 HD2 PRO 1 93 4.522 -8.186 -9.290 1.00 0.00 H new ATOM 0 HD3 PRO 1 93 2.840 -8.430 -9.716 1.00 0.00 H new ATOM 1512 N LYS 1 94 4.904 -4.748 -6.154 1.00 0.00 N ATOM 1513 CA LYS 1 94 6.110 -3.913 -5.990 1.00 0.00 C ATOM 1514 C LYS 1 94 6.321 -3.468 -4.547 1.00 0.00 C ATOM 1515 O LYS 1 94 5.359 -3.202 -3.826 1.00 0.00 O ATOM 1516 CB LYS 1 94 6.025 -2.652 -6.875 1.00 0.00 C ATOM 1517 CG LYS 1 94 5.592 -2.898 -8.320 1.00 0.00 C ATOM 1518 CD LYS 1 94 6.700 -3.519 -9.167 1.00 0.00 C ATOM 1519 CE LYS 1 94 6.768 -2.879 -10.543 1.00 0.00 C ATOM 1520 NZ LYS 1 94 7.801 -3.521 -11.403 1.00 0.00 N ATOM 0 H LYS 1 94 4.084 -4.407 -5.652 1.00 0.00 H new ATOM 0 HA LYS 1 94 6.952 -4.537 -6.290 1.00 0.00 H new ATOM 0 HB2 LYS 1 94 5.325 -1.953 -6.417 1.00 0.00 H new ATOM 0 HB3 LYS 1 94 7.001 -2.167 -6.883 1.00 0.00 H new ATOM 0 HG2 LYS 1 94 4.722 -3.555 -8.328 1.00 0.00 H new ATOM 0 HG3 LYS 1 94 5.283 -1.954 -8.768 1.00 0.00 H new ATOM 0 HD2 LYS 1 94 7.658 -3.400 -8.661 1.00 0.00 H new ATOM 0 HD3 LYS 1 94 6.525 -4.590 -9.270 1.00 0.00 H new ATOM 0 HE2 LYS 1 94 5.794 -2.954 -11.027 1.00 0.00 H new ATOM 0 HE3 LYS 1 94 6.991 -1.817 -10.439 1.00 0.00 H new ATOM 0 HZ1 LYS 1 94 7.816 -3.056 -12.333 1.00 0.00 H new ATOM 0 HZ2 LYS 1 94 8.734 -3.427 -10.954 1.00 0.00 H new ATOM 0 HZ3 LYS 1 94 7.575 -4.529 -11.524 1.00 0.00 H new ATOM 1534 N VAL 1 95 7.599 -3.344 -4.157 1.00 0.00 N ATOM 1535 CA VAL 1 95 7.977 -2.912 -2.809 1.00 0.00 C ATOM 1536 C VAL 1 95 8.179 -1.388 -2.776 1.00 0.00 C ATOM 1537 O VAL 1 95 9.010 -0.852 -3.514 1.00 0.00 O ATOM 1538 CB VAL 1 95 9.270 -3.601 -2.317 1.00 0.00 C ATOM 1539 CG1 VAL 1 95 9.365 -3.574 -0.793 1.00 0.00 C ATOM 1540 CG2 VAL 1 95 9.392 -5.036 -2.826 1.00 0.00 C ATOM 0 H VAL 1 95 8.393 -3.540 -4.766 1.00 0.00 H new ATOM 0 HA VAL 1 95 7.163 -3.199 -2.144 1.00 0.00 H new ATOM 0 HB VAL 1 95 10.102 -3.031 -2.732 1.00 0.00 H new ATOM 0 HG11 VAL 1 95 10.285 -4.066 -0.477 1.00 0.00 H new ATOM 0 HG12 VAL 1 95 9.369 -2.540 -0.447 1.00 0.00 H new ATOM 0 HG13 VAL 1 95 8.509 -4.096 -0.366 1.00 0.00 H new ATOM 0 HG21 VAL 1 95 10.317 -5.477 -2.453 1.00 0.00 H new ATOM 0 HG22 VAL 1 95 8.543 -5.621 -2.473 1.00 0.00 H new ATOM 0 HG23 VAL 1 95 9.404 -5.036 -3.916 1.00 0.00 H new ATOM 1550 N ALA 1 96 7.412 -0.701 -1.903 1.00 0.00 N ATOM 1551 CA ALA 1 96 7.467 0.774 -1.722 1.00 0.00 C ATOM 1552 C ALA 1 96 7.293 1.576 -3.032 1.00 0.00 C ATOM 1553 O ALA 1 96 7.310 1.011 -4.131 1.00 0.00 O ATOM 1554 CB ALA 1 96 8.762 1.170 -1.013 1.00 0.00 C ATOM 0 H ALA 1 96 6.729 -1.155 -1.296 1.00 0.00 H new ATOM 0 HA ALA 1 96 6.610 1.037 -1.101 1.00 0.00 H new ATOM 0 HB1 ALA 1 96 8.791 2.252 -0.886 1.00 0.00 H new ATOM 0 HB2 ALA 1 96 8.804 0.689 -0.036 1.00 0.00 H new ATOM 0 HB3 ALA 1 96 9.616 0.852 -1.611 1.00 0.00 H new ATOM 1560 N PHE 1 97 7.117 2.900 -2.888 1.00 0.00 N ATOM 1561 CA PHE 1 97 6.939 3.814 -4.019 1.00 0.00 C ATOM 1562 C PHE 1 97 8.265 4.536 -4.358 1.00 0.00 C ATOM 1563 O PHE 1 97 8.707 5.396 -3.587 1.00 0.00 O ATOM 1564 CB PHE 1 97 5.855 4.841 -3.674 1.00 0.00 C ATOM 1565 CG PHE 1 97 4.537 4.583 -4.345 1.00 0.00 C ATOM 1566 CD1 PHE 1 97 4.216 5.214 -5.536 1.00 0.00 C ATOM 1567 CD2 PHE 1 97 3.618 3.707 -3.787 1.00 0.00 C ATOM 1568 CE1 PHE 1 97 3.006 4.976 -6.159 1.00 0.00 C ATOM 1569 CE2 PHE 1 97 2.406 3.465 -4.405 1.00 0.00 C ATOM 1570 CZ PHE 1 97 2.099 4.102 -5.592 1.00 0.00 C ATOM 0 H PHE 1 97 7.095 3.364 -1.980 1.00 0.00 H new ATOM 0 HA PHE 1 97 6.634 3.238 -4.893 1.00 0.00 H new ATOM 0 HB2 PHE 1 97 5.706 4.849 -2.594 1.00 0.00 H new ATOM 0 HB3 PHE 1 97 6.206 5.834 -3.955 1.00 0.00 H new ATOM 0 HD1 PHE 1 97 4.920 5.900 -5.983 1.00 0.00 H new ATOM 0 HD2 PHE 1 97 3.852 3.208 -2.858 1.00 0.00 H new ATOM 0 HE1 PHE 1 97 2.770 5.473 -7.088 1.00 0.00 H new ATOM 0 HE2 PHE 1 97 1.700 2.779 -3.961 1.00 0.00 H new ATOM 0 HZ PHE 1 97 1.151 3.917 -6.076 1.00 0.00 H new ATOM 1580 N PRO 1 98 8.940 4.192 -5.503 1.00 0.00 N ATOM 1581 CA PRO 1 98 10.209 4.832 -5.903 1.00 0.00 C ATOM 1582 C PRO 1 98 10.020 6.185 -6.599 1.00 0.00 C ATOM 1583 O PRO 1 98 8.988 6.428 -7.233 1.00 0.00 O ATOM 1584 CB PRO 1 98 10.839 3.830 -6.887 1.00 0.00 C ATOM 1585 CG PRO 1 98 9.892 2.673 -6.988 1.00 0.00 C ATOM 1586 CD PRO 1 98 8.561 3.150 -6.479 1.00 0.00 C ATOM 0 HA PRO 1 98 10.820 5.047 -5.027 1.00 0.00 H new ATOM 0 HB2 PRO 1 98 10.993 4.291 -7.863 1.00 0.00 H new ATOM 0 HB3 PRO 1 98 11.816 3.501 -6.532 1.00 0.00 H new ATOM 0 HG2 PRO 1 98 9.810 2.330 -8.019 1.00 0.00 H new ATOM 0 HG3 PRO 1 98 10.250 1.829 -6.399 1.00 0.00 H new ATOM 0 HD2 PRO 1 98 7.942 3.552 -7.281 1.00 0.00 H new ATOM 0 HD3 PRO 1 98 7.994 2.345 -6.012 1.00 0.00 H new ATOM 1594 N ARG 1 99 11.032 7.052 -6.465 1.00 0.00 N ATOM 1595 CA ARG 1 99 11.022 8.386 -7.078 1.00 0.00 C ATOM 1596 C ARG 1 99 12.051 8.469 -8.207 1.00 0.00 C ATOM 1597 O ARG 1 99 13.206 8.070 -8.027 1.00 0.00 O ATOM 1598 CB ARG 1 99 11.327 9.461 -6.031 1.00 0.00 C ATOM 1599 CG ARG 1 99 10.148 9.809 -5.137 1.00 0.00 C ATOM 1600 CD ARG 1 99 10.475 10.984 -4.230 1.00 0.00 C ATOM 1601 NE ARG 1 99 9.345 11.357 -3.374 1.00 0.00 N ATOM 1602 CZ ARG 1 99 9.311 12.443 -2.589 1.00 0.00 C ATOM 1603 NH1 ARG 1 99 10.341 13.285 -2.536 1.00 0.00 N ATOM 1604 NH2 ARG 1 99 8.236 12.686 -1.854 1.00 0.00 N ATOM 0 H ARG 1 99 11.877 6.850 -5.931 1.00 0.00 H new ATOM 0 HA ARG 1 99 10.027 8.558 -7.489 1.00 0.00 H new ATOM 0 HB2 ARG 1 99 12.154 9.121 -5.408 1.00 0.00 H new ATOM 0 HB3 ARG 1 99 11.662 10.364 -6.541 1.00 0.00 H new ATOM 0 HG2 ARG 1 99 9.281 10.051 -5.752 1.00 0.00 H new ATOM 0 HG3 ARG 1 99 9.879 8.943 -4.532 1.00 0.00 H new ATOM 0 HD2 ARG 1 99 11.332 10.731 -3.606 1.00 0.00 H new ATOM 0 HD3 ARG 1 99 10.765 11.840 -4.839 1.00 0.00 H new ATOM 0 HE ARG 1 99 8.527 10.747 -3.376 1.00 0.00 H new ATOM 0 HH11 ARG 1 99 11.173 13.109 -3.098 1.00 0.00 H new ATOM 0 HH12 ARG 1 99 10.298 14.106 -1.933 1.00 0.00 H new ATOM 0 HH21 ARG 1 99 7.441 12.048 -1.887 1.00 0.00 H new ATOM 0 HH22 ARG 1 99 8.204 13.511 -1.255 1.00 0.00 H new ATOM 1618 N ARG 1 100 11.621 8.981 -9.366 1.00 0.00 N ATOM 1619 CA ARG 1 100 12.498 9.125 -10.535 1.00 0.00 C ATOM 1620 C ARG 1 100 12.557 10.577 -11.007 1.00 0.00 C ATOM 1621 O ARG 1 100 11.525 11.247 -11.095 1.00 0.00 O ATOM 1622 CB ARG 1 100 12.015 8.231 -11.683 1.00 0.00 C ATOM 1623 CG ARG 1 100 12.338 6.747 -11.504 1.00 0.00 C ATOM 1624 CD ARG 1 100 13.720 6.383 -12.046 1.00 0.00 C ATOM 1625 NE ARG 1 100 14.797 6.751 -11.119 1.00 0.00 N ATOM 1626 CZ ARG 1 100 16.098 6.790 -11.441 1.00 0.00 C ATOM 1627 NH1 ARG 1 100 16.513 6.488 -12.671 1.00 0.00 N ATOM 1628 NH2 ARG 1 100 16.993 7.124 -10.521 1.00 0.00 N ATOM 0 H ARG 1 100 10.666 9.304 -9.520 1.00 0.00 H new ATOM 0 HA ARG 1 100 13.499 8.817 -10.235 1.00 0.00 H new ATOM 0 HB2 ARG 1 100 10.936 8.346 -11.788 1.00 0.00 H new ATOM 0 HB3 ARG 1 100 12.465 8.579 -12.613 1.00 0.00 H new ATOM 0 HG2 ARG 1 100 12.287 6.492 -10.446 1.00 0.00 H new ATOM 0 HG3 ARG 1 100 11.582 6.149 -12.013 1.00 0.00 H new ATOM 0 HD2 ARG 1 100 13.761 5.311 -12.240 1.00 0.00 H new ATOM 0 HD3 ARG 1 100 13.877 6.886 -13.000 1.00 0.00 H new ATOM 0 HE ARG 1 100 14.538 6.994 -10.163 1.00 0.00 H new ATOM 0 HH11 ARG 1 100 15.837 6.221 -13.386 1.00 0.00 H new ATOM 0 HH12 ARG 1 100 17.507 6.523 -12.897 1.00 0.00 H new ATOM 0 HH21 ARG 1 100 16.690 7.350 -9.573 1.00 0.00 H new ATOM 0 HH22 ARG 1 100 17.984 7.155 -10.761 1.00 0.00 H new ATOM 1642 N ALA 1 101 13.774 11.049 -11.304 1.00 0.00 N ATOM 1643 CA ALA 1 101 13.998 12.411 -11.771 1.00 0.00 C ATOM 1644 C ALA 1 101 13.955 12.507 -13.302 1.00 0.00 C ATOM 1645 O ALA 1 101 13.884 11.486 -13.994 1.00 0.00 O ATOM 1646 CB ALA 1 101 15.328 12.934 -11.236 1.00 0.00 C ATOM 0 H ALA 1 101 14.626 10.494 -11.226 1.00 0.00 H new ATOM 0 HA ALA 1 101 13.189 13.032 -11.388 1.00 0.00 H new ATOM 0 HB1 ALA 1 101 15.487 13.953 -11.590 1.00 0.00 H new ATOM 0 HB2 ALA 1 101 15.310 12.927 -10.146 1.00 0.00 H new ATOM 0 HB3 ALA 1 101 16.138 12.296 -11.589 1.00 0.00 H new ATOM 1652 N GLN 1 102 13.993 13.745 -13.815 1.00 0.00 N ATOM 1653 CA GLN 1 102 13.960 14.005 -15.257 1.00 0.00 C ATOM 1654 C GLN 1 102 15.319 14.518 -15.761 1.00 0.00 C ATOM 1655 O GLN 1 102 15.993 15.262 -15.043 1.00 0.00 O ATOM 1656 CB GLN 1 102 12.868 15.025 -15.590 1.00 0.00 C ATOM 1657 CG GLN 1 102 11.472 14.429 -15.659 1.00 0.00 C ATOM 1658 CD GLN 1 102 10.422 15.455 -16.034 1.00 0.00 C ATOM 1659 OE1 GLN 1 102 9.834 16.104 -15.167 1.00 0.00 O ATOM 1660 NE2 GLN 1 102 10.180 15.609 -17.330 1.00 0.00 N ATOM 0 H GLN 1 102 14.047 14.588 -13.244 1.00 0.00 H new ATOM 0 HA GLN 1 102 13.739 13.063 -15.759 1.00 0.00 H new ATOM 0 HB2 GLN 1 102 12.879 15.814 -14.838 1.00 0.00 H new ATOM 0 HB3 GLN 1 102 13.101 15.493 -16.546 1.00 0.00 H new ATOM 0 HG2 GLN 1 102 11.462 13.619 -16.389 1.00 0.00 H new ATOM 0 HG3 GLN 1 102 11.219 13.991 -14.693 1.00 0.00 H new ATOM 0 HE21 GLN 1 102 10.690 15.050 -18.014 1.00 0.00 H new ATOM 0 HE22 GLN 1 102 9.484 16.286 -17.642 1.00 0.00 H new ATOM 1669 N PRO 1 103 15.749 14.128 -17.004 1.00 0.00 N ATOM 1670 CA PRO 1 103 17.037 14.576 -17.582 1.00 0.00 C ATOM 1671 C PRO 1 103 17.002 16.038 -18.069 1.00 0.00 C ATOM 1672 O PRO 1 103 15.948 16.682 -18.037 1.00 0.00 O ATOM 1673 CB PRO 1 103 17.248 13.607 -18.755 1.00 0.00 C ATOM 1674 CG PRO 1 103 15.876 13.204 -19.177 1.00 0.00 C ATOM 1675 CD PRO 1 103 15.034 13.205 -17.929 1.00 0.00 C ATOM 0 HA PRO 1 103 17.842 14.560 -16.847 1.00 0.00 H new ATOM 0 HB2 PRO 1 103 17.786 14.088 -19.572 1.00 0.00 H new ATOM 0 HB3 PRO 1 103 17.837 12.742 -18.451 1.00 0.00 H new ATOM 0 HG2 PRO 1 103 15.477 13.898 -19.916 1.00 0.00 H new ATOM 0 HG3 PRO 1 103 15.885 12.217 -19.639 1.00 0.00 H new ATOM 0 HD2 PRO 1 103 14.021 13.552 -18.133 1.00 0.00 H new ATOM 0 HD3 PRO 1 103 14.949 12.204 -17.506 1.00 0.00 H new ATOM 1683 N LYS 1 104 18.160 16.541 -18.526 1.00 0.00 N ATOM 1684 CA LYS 1 104 18.282 17.920 -19.021 1.00 0.00 C ATOM 1685 C LYS 1 104 17.973 18.002 -20.517 1.00 0.00 C ATOM 1686 O LYS 1 104 18.556 17.265 -21.319 1.00 0.00 O ATOM 1687 CB LYS 1 104 19.693 18.465 -18.771 1.00 0.00 C ATOM 1688 CG LYS 1 104 20.009 18.741 -17.309 1.00 0.00 C ATOM 1689 CD LYS 1 104 21.480 19.070 -17.121 1.00 0.00 C ATOM 1690 CE LYS 1 104 21.811 19.369 -15.669 1.00 0.00 C ATOM 1691 NZ LYS 1 104 23.276 19.539 -15.463 1.00 0.00 N ATOM 0 H LYS 1 104 19.029 16.009 -18.563 1.00 0.00 H new ATOM 0 HA LYS 1 104 17.557 18.524 -18.475 1.00 0.00 H new ATOM 0 HB2 LYS 1 104 20.419 17.751 -19.159 1.00 0.00 H new ATOM 0 HB3 LYS 1 104 19.819 19.387 -19.338 1.00 0.00 H new ATOM 0 HG2 LYS 1 104 19.399 19.571 -16.952 1.00 0.00 H new ATOM 0 HG3 LYS 1 104 19.748 17.871 -16.707 1.00 0.00 H new ATOM 0 HD2 LYS 1 104 22.087 18.233 -17.467 1.00 0.00 H new ATOM 0 HD3 LYS 1 104 21.742 19.930 -17.738 1.00 0.00 H new ATOM 0 HE2 LYS 1 104 21.292 20.275 -15.356 1.00 0.00 H new ATOM 0 HE3 LYS 1 104 21.446 18.559 -15.038 1.00 0.00 H new ATOM 0 HZ1 LYS 1 104 23.464 19.742 -14.461 1.00 0.00 H new ATOM 0 HZ2 LYS 1 104 23.769 18.666 -15.738 1.00 0.00 H new ATOM 0 HZ3 LYS 1 104 23.619 20.329 -16.046 1.00 0.00 H new ATOM 1705 N MET 1 105 17.053 18.902 -20.877 1.00 0.00 N ATOM 1706 CA MET 1 105 16.657 19.101 -22.275 1.00 0.00 C ATOM 1707 C MET 1 105 17.305 20.363 -22.853 1.00 0.00 C ATOM 1708 O MET 1 105 17.054 21.476 -22.377 1.00 0.00 O ATOM 1709 CB MET 1 105 15.118 19.151 -22.421 1.00 0.00 C ATOM 1710 CG MET 1 105 14.397 20.082 -21.443 1.00 0.00 C ATOM 1711 SD MET 1 105 12.603 19.961 -21.569 1.00 0.00 S ATOM 1712 CE MET 1 105 12.095 21.055 -20.244 1.00 0.00 C ATOM 0 H MET 1 105 16.566 19.507 -20.216 1.00 0.00 H new ATOM 0 HA MET 1 105 17.016 18.245 -22.847 1.00 0.00 H new ATOM 0 HB2 MET 1 105 14.876 19.461 -23.437 1.00 0.00 H new ATOM 0 HB3 MET 1 105 14.725 18.142 -22.294 1.00 0.00 H new ATOM 0 HG2 MET 1 105 14.703 19.842 -20.425 1.00 0.00 H new ATOM 0 HG3 MET 1 105 14.703 21.111 -21.633 1.00 0.00 H new ATOM 0 HE1 MET 1 105 11.007 21.086 -20.195 1.00 0.00 H new ATOM 0 HE2 MET 1 105 12.491 20.688 -19.297 1.00 0.00 H new ATOM 0 HE3 MET 1 105 12.478 22.058 -20.433 1.00 0.00 H new ATOM 1722 N VAL 1 106 18.149 20.171 -23.870 1.00 0.00 N ATOM 1723 CA VAL 1 106 18.841 21.281 -24.527 1.00 0.00 C ATOM 1724 C VAL 1 106 18.209 21.546 -25.901 1.00 0.00 C ATOM 1725 O VAL 1 106 17.753 22.660 -26.174 1.00 0.00 O ATOM 1726 CB VAL 1 106 20.375 21.012 -24.670 1.00 0.00 C ATOM 1727 CG1 VAL 1 106 21.112 22.235 -25.209 1.00 0.00 C ATOM 1728 CG2 VAL 1 106 20.987 20.584 -23.339 1.00 0.00 C ATOM 0 H VAL 1 106 18.370 19.253 -24.257 1.00 0.00 H new ATOM 0 HA VAL 1 106 18.728 22.165 -23.900 1.00 0.00 H new ATOM 0 HB VAL 1 106 20.489 20.199 -25.387 1.00 0.00 H new ATOM 0 HG11 VAL 1 106 22.175 22.011 -25.295 1.00 0.00 H new ATOM 0 HG12 VAL 1 106 20.716 22.495 -26.190 1.00 0.00 H new ATOM 0 HG13 VAL 1 106 20.972 23.074 -24.527 1.00 0.00 H new ATOM 0 HG21 VAL 1 106 22.054 20.404 -23.470 1.00 0.00 H new ATOM 0 HG22 VAL 1 106 20.840 21.372 -22.601 1.00 0.00 H new ATOM 0 HG23 VAL 1 106 20.505 19.669 -22.994 1.00 0.00 H new ATOM 1738 N THR 1 107 18.193 20.511 -26.750 1.00 0.00 N ATOM 1739 CA THR 1 107 17.620 20.597 -28.077 1.00 0.00 C ATOM 1740 C THR 1 107 16.178 20.072 -28.056 1.00 0.00 C ATOM 1741 O THR 1 107 15.938 18.861 -28.135 1.00 0.00 O ATOM 1742 CB THR 1 107 18.472 19.813 -29.112 1.00 0.00 C ATOM 1743 OG1 THR 1 107 19.869 19.980 -28.831 1.00 0.00 O ATOM 1744 CG2 THR 1 107 18.194 20.278 -30.540 1.00 0.00 C ATOM 0 H THR 1 107 18.580 19.594 -26.525 1.00 0.00 H new ATOM 0 HA THR 1 107 17.614 21.644 -28.381 1.00 0.00 H new ATOM 0 HB THR 1 107 18.196 18.762 -29.029 1.00 0.00 H new ATOM 0 HG1 THR 1 107 20.397 19.480 -29.488 1.00 0.00 H new ATOM 0 HG21 THR 1 107 18.809 19.706 -31.235 1.00 0.00 H new ATOM 0 HG22 THR 1 107 17.141 20.123 -30.775 1.00 0.00 H new ATOM 0 HG23 THR 1 107 18.434 21.337 -30.631 1.00 0.00 H new ATOM 1752 N ARG 1 108 15.233 21.006 -27.929 1.00 0.00 N ATOM 1753 CA ARG 1 108 13.802 20.679 -27.885 1.00 0.00 C ATOM 1754 C ARG 1 108 13.198 20.611 -29.287 1.00 0.00 C ATOM 1755 O ARG 1 108 13.479 21.464 -30.134 1.00 0.00 O ATOM 1756 CB ARG 1 108 13.044 21.711 -27.042 1.00 0.00 C ATOM 1757 CG ARG 1 108 13.275 21.572 -25.543 1.00 0.00 C ATOM 1758 CD ARG 1 108 12.540 22.647 -24.752 1.00 0.00 C ATOM 1759 NE ARG 1 108 11.090 22.417 -24.708 1.00 0.00 N ATOM 1760 CZ ARG 1 108 10.316 22.637 -23.636 1.00 0.00 C ATOM 1761 NH1 ARG 1 108 10.833 23.094 -22.498 1.00 0.00 N ATOM 1762 NH2 ARG 1 108 9.014 22.398 -23.708 1.00 0.00 N ATOM 0 H ARG 1 108 15.433 22.003 -27.854 1.00 0.00 H new ATOM 0 HA ARG 1 108 13.704 19.695 -27.426 1.00 0.00 H new ATOM 0 HB2 ARG 1 108 13.343 22.711 -27.355 1.00 0.00 H new ATOM 0 HB3 ARG 1 108 11.977 21.619 -27.245 1.00 0.00 H new ATOM 0 HG2 ARG 1 108 12.942 20.588 -25.214 1.00 0.00 H new ATOM 0 HG3 ARG 1 108 14.343 21.633 -25.333 1.00 0.00 H new ATOM 0 HD2 ARG 1 108 12.931 22.677 -23.735 1.00 0.00 H new ATOM 0 HD3 ARG 1 108 12.737 23.622 -25.199 1.00 0.00 H new ATOM 0 HE ARG 1 108 10.640 22.065 -25.553 1.00 0.00 H new ATOM 0 HH11 ARG 1 108 11.833 23.283 -22.432 1.00 0.00 H new ATOM 0 HH12 ARG 1 108 10.229 23.256 -21.692 1.00 0.00 H new ATOM 0 HH21 ARG 1 108 8.607 22.049 -24.576 1.00 0.00 H new ATOM 0 HH22 ARG 1 108 8.419 22.563 -22.896 1.00 0.00 H new ATOM 1776 N THR 1 109 12.373 19.585 -29.512 1.00 0.00 N ATOM 1777 CA THR 1 109 11.709 19.381 -30.802 1.00 0.00 C ATOM 1778 C THR 1 109 10.202 19.600 -30.687 1.00 0.00 C ATOM 1779 O THR 1 109 9.603 20.278 -31.527 1.00 0.00 O ATOM 1780 CB THR 1 109 11.970 17.966 -31.366 1.00 0.00 C ATOM 1781 OG1 THR 1 109 11.786 16.983 -30.340 1.00 0.00 O ATOM 1782 CG2 THR 1 109 13.376 17.854 -31.941 1.00 0.00 C ATOM 0 H THR 1 109 12.148 18.878 -28.812 1.00 0.00 H new ATOM 0 HA THR 1 109 12.132 20.115 -31.487 1.00 0.00 H new ATOM 0 HB THR 1 109 11.255 17.788 -32.169 1.00 0.00 H new ATOM 0 HG1 THR 1 109 11.952 16.090 -30.709 1.00 0.00 H new ATOM 0 HG21 THR 1 109 13.531 16.848 -32.330 1.00 0.00 H new ATOM 0 HG22 THR 1 109 13.498 18.578 -32.747 1.00 0.00 H new ATOM 0 HG23 THR 1 109 14.107 18.056 -31.158 1.00 0.00 H new ATOM 1790 N LYS 1 110 9.599 19.021 -29.636 1.00 0.00 N ATOM 1791 CA LYS 1 110 8.167 19.136 -29.383 1.00 0.00 C ATOM 1792 C LYS 1 110 7.838 20.414 -28.610 1.00 0.00 C ATOM 1793 O LYS 1 110 8.595 20.824 -27.727 1.00 0.00 O ATOM 1794 CB LYS 1 110 7.666 17.917 -28.603 1.00 0.00 C ATOM 1795 CG LYS 1 110 7.444 16.684 -29.468 1.00 0.00 C ATOM 1796 CD LYS 1 110 7.053 15.478 -28.628 1.00 0.00 C ATOM 1797 CE LYS 1 110 6.623 14.310 -29.499 1.00 0.00 C ATOM 1798 NZ LYS 1 110 6.418 13.068 -28.703 1.00 0.00 N ATOM 0 H LYS 1 110 10.096 18.462 -28.943 1.00 0.00 H new ATOM 0 HA LYS 1 110 7.663 19.181 -30.348 1.00 0.00 H new ATOM 0 HB2 LYS 1 110 8.386 17.676 -27.821 1.00 0.00 H new ATOM 0 HB3 LYS 1 110 6.731 18.174 -28.106 1.00 0.00 H new ATOM 0 HG2 LYS 1 110 6.663 16.888 -30.200 1.00 0.00 H new ATOM 0 HG3 LYS 1 110 8.353 16.461 -30.026 1.00 0.00 H new ATOM 0 HD2 LYS 1 110 7.896 15.178 -28.005 1.00 0.00 H new ATOM 0 HD3 LYS 1 110 6.240 15.750 -27.955 1.00 0.00 H new ATOM 0 HE2 LYS 1 110 5.699 14.565 -30.018 1.00 0.00 H new ATOM 0 HE3 LYS 1 110 7.379 14.130 -30.264 1.00 0.00 H new ATOM 0 HZ1 LYS 1 110 6.125 12.295 -29.335 1.00 0.00 H new ATOM 0 HZ2 LYS 1 110 7.306 12.809 -28.228 1.00 0.00 H new ATOM 0 HZ3 LYS 1 110 5.679 13.231 -27.990 1.00 0.00 H new ATOM 1812 N LYS 1 111 6.704 21.040 -28.961 1.00 0.00 N ATOM 1813 CA LYS 1 111 6.251 22.268 -28.312 1.00 0.00 C ATOM 1814 C LYS 1 111 4.722 22.297 -28.195 1.00 0.00 C ATOM 1815 O LYS 1 111 4.221 22.318 -27.051 1.00 0.00 O ATOM 1816 CB LYS 1 111 6.780 23.533 -29.038 1.00 0.00 C ATOM 1817 CG LYS 1 111 6.492 23.593 -30.539 1.00 0.00 C ATOM 1818 CD LYS 1 111 7.018 24.879 -31.156 1.00 0.00 C ATOM 1819 CE LYS 1 111 6.651 24.980 -32.627 1.00 0.00 C ATOM 1820 NZ LYS 1 111 7.220 26.202 -33.260 1.00 0.00 N ATOM 1821 OXT LYS 1 111 4.043 22.290 -29.244 1.00 0.00 O ATOM 0 H LYS 1 111 6.083 20.707 -29.698 1.00 0.00 H new ATOM 0 HA LYS 1 111 6.668 22.276 -27.305 1.00 0.00 H new ATOM 0 HB2 LYS 1 111 6.343 24.413 -28.565 1.00 0.00 H new ATOM 0 HB3 LYS 1 111 7.858 23.593 -28.889 1.00 0.00 H new ATOM 0 HG2 LYS 1 111 6.951 22.737 -31.033 1.00 0.00 H new ATOM 0 HG3 LYS 1 111 5.418 23.520 -30.708 1.00 0.00 H new ATOM 0 HD2 LYS 1 111 6.611 25.735 -30.618 1.00 0.00 H new ATOM 0 HD3 LYS 1 111 8.102 24.920 -31.046 1.00 0.00 H new ATOM 0 HE2 LYS 1 111 7.014 24.097 -33.153 1.00 0.00 H new ATOM 0 HE3 LYS 1 111 5.566 24.990 -32.730 1.00 0.00 H new ATOM 0 HZ1 LYS 1 111 6.946 26.233 -34.263 1.00 0.00 H new ATOM 0 HZ2 LYS 1 111 6.855 27.046 -32.775 1.00 0.00 H new ATOM 0 HZ3 LYS 1 111 8.257 26.181 -33.185 1.00 0.00 H new TER 1835 LYS 1 111