USER MOD reduce.3.24.130724 H: found=0, std=0, add=533, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 143 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 THR OG1 : rot 60:sc= -1.15 USER MOD Set 1.2: A 38 LYS NZ :NH3+ 142:sc= -9.57! (180deg=-12.4!) USER MOD Set 1.3: A 68 HIS : no HD1:sc= -27! C(o=-54!,f=-46!) USER MOD Set 1.4: A 71 GLN : amide:sc= -16! C(o=-54!,f=-46!) USER MOD Set 2.1: A 1 ILE N :NH3+ -158:sc= -0.0833 (180deg=-0.433) USER MOD Set 2.2: A 15 THR OG1 : rot -70:sc= 1.09 USER MOD Single : A 4 HIS : no HE2:sc= -8.21! C(o=-8.2!,f=-7.3!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 3:sc= 0.903 USER MOD Single : A 21 ASN : amide:sc= -3.14 K(o=-3.1,f=-0.88) USER MOD Single : A 24 TYR OH : rot 120:sc= -2.7! USER MOD Single : A 26 LYS NZ :NH3+ -143:sc= -6.75! (180deg=-9.15!) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 29:sc= 0.377 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 146:sc= -0.363! USER MOD Single : A 58 THR OG1 : rot 33:sc= 0.884 USER MOD Single : A 61 SER OG : rot 69:sc= 0.69 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 163:sc= -1.17! (180deg=-2.3!) USER MOD Single : A 66 ASN : amide:sc= -19.3! C(o=-19!,f=-18!) USER MOD Single : A 70 LYS NZ :NH3+ -155:sc= -17.5! (180deg=-19.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 4.685 14.621 -3.620 1.00 0.00 N ATOM 2 CA ILE A 1 4.187 13.815 -4.755 1.00 0.00 C ATOM 3 C ILE A 1 4.947 12.507 -4.761 1.00 0.00 C ATOM 4 O ILE A 1 5.992 12.480 -5.368 1.00 0.00 O ATOM 5 CB ILE A 1 4.417 14.500 -6.119 1.00 0.00 C ATOM 6 CG1 ILE A 1 3.544 15.749 -6.188 1.00 0.00 C ATOM 7 CG2 ILE A 1 4.127 13.574 -7.327 1.00 0.00 C ATOM 8 CD1 ILE A 1 3.928 16.652 -7.363 1.00 0.00 C ATOM 0 H1 ILE A 1 3.969 15.327 -3.355 1.00 0.00 H new ATOM 0 H2 ILE A 1 4.874 13.998 -2.809 1.00 0.00 H new ATOM 0 H3 ILE A 1 5.563 15.105 -3.897 1.00 0.00 H new ATOM 0 HA ILE A 1 3.113 13.680 -4.625 1.00 0.00 H new ATOM 0 HB ILE A 1 5.474 14.759 -6.187 1.00 0.00 H new ATOM 0 HG12 ILE A 1 2.498 15.456 -6.282 1.00 0.00 H new ATOM 0 HG13 ILE A 1 3.636 16.307 -5.256 1.00 0.00 H new ATOM 0 HG21 ILE A 1 4.308 14.118 -8.254 1.00 0.00 H new ATOM 0 HG22 ILE A 1 4.781 12.703 -7.283 1.00 0.00 H new ATOM 0 HG23 ILE A 1 3.087 13.249 -7.295 1.00 0.00 H new ATOM 0 HD11 ILE A 1 3.281 17.529 -7.374 1.00 0.00 H new ATOM 0 HD12 ILE A 1 4.966 16.968 -7.255 1.00 0.00 H new ATOM 0 HD13 ILE A 1 3.811 16.103 -8.297 1.00 0.00 H new ATOM 12 N VAL A 2 4.377 11.485 -4.166 1.00 0.00 N ATOM 13 CA VAL A 2 5.005 10.179 -4.128 1.00 0.00 C ATOM 14 C VAL A 2 4.150 9.131 -4.808 1.00 0.00 C ATOM 15 O VAL A 2 4.598 8.709 -5.846 1.00 0.00 O ATOM 16 CB VAL A 2 5.452 9.777 -2.736 1.00 0.00 C ATOM 17 CG1 VAL A 2 6.292 10.777 -2.033 1.00 0.00 C ATOM 18 CG2 VAL A 2 4.280 9.555 -1.890 1.00 0.00 C ATOM 0 H VAL A 2 3.472 11.531 -3.697 1.00 0.00 H new ATOM 0 HA VAL A 2 5.925 10.253 -4.707 1.00 0.00 H new ATOM 0 HB VAL A 2 6.054 8.882 -2.889 1.00 0.00 H new ATOM 0 HG11 VAL A 2 6.560 10.398 -1.047 1.00 0.00 H new ATOM 0 HG12 VAL A 2 7.198 10.961 -2.610 1.00 0.00 H new ATOM 0 HG13 VAL A 2 5.735 11.708 -1.925 1.00 0.00 H new ATOM 0 HG21 VAL A 2 4.603 9.266 -0.890 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.694 10.472 -1.831 1.00 0.00 H new ATOM 0 HG23 VAL A 2 3.668 8.761 -2.317 1.00 0.00 H new ATOM 20 N CYS A 3 3.110 8.660 -4.150 1.00 0.00 N ATOM 21 CA CYS A 3 2.208 7.624 -4.561 1.00 0.00 C ATOM 22 C CYS A 3 0.842 8.231 -4.479 1.00 0.00 C ATOM 23 O CYS A 3 0.549 8.994 -3.587 1.00 0.00 O ATOM 24 CB CYS A 3 2.307 6.507 -3.567 1.00 0.00 C ATOM 25 SG CYS A 3 1.436 6.532 -1.946 1.00 0.00 S ATOM 0 H CYS A 3 2.860 9.031 -3.234 1.00 0.00 H new ATOM 0 HA CYS A 3 2.424 7.244 -5.559 1.00 0.00 H new ATOM 0 HB2 CYS A 3 1.978 5.604 -4.082 1.00 0.00 H new ATOM 0 HB3 CYS A 3 3.367 6.381 -3.347 1.00 0.00 H new ATOM 27 N HIS A 4 -0.013 7.729 -5.312 1.00 0.00 N ATOM 28 CA HIS A 4 -1.373 8.251 -5.404 1.00 0.00 C ATOM 29 C HIS A 4 -2.422 7.149 -5.259 1.00 0.00 C ATOM 30 O HIS A 4 -3.250 7.005 -6.151 1.00 0.00 O ATOM 31 CB HIS A 4 -1.554 8.981 -6.740 1.00 0.00 C ATOM 32 CG HIS A 4 -0.704 10.231 -6.901 1.00 0.00 C ATOM 33 ND1 HIS A 4 0.374 10.305 -7.647 1.00 0.00 N ATOM 34 CD2 HIS A 4 -0.896 11.434 -6.387 1.00 0.00 C ATOM 35 CE1 HIS A 4 0.866 11.535 -7.566 1.00 0.00 C ATOM 36 NE2 HIS A 4 0.074 12.245 -6.779 1.00 0.00 N ATOM 0 H HIS A 4 0.190 6.957 -5.947 1.00 0.00 H new ATOM 0 HA HIS A 4 -1.520 8.948 -4.579 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -1.318 8.291 -7.550 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -2.603 9.255 -6.850 1.00 0.00 H new ATOM 0 HD1 HIS A 4 0.768 9.543 -8.198 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -1.719 11.712 -5.745 1.00 0.00 H new ATOM 0 HE1 HIS A 4 1.758 11.894 -8.057 1.00 0.00 H new ATOM 39 N THR A 5 -2.311 6.350 -4.192 1.00 0.00 N ATOM 40 CA THR A 5 -3.132 5.139 -3.963 1.00 0.00 C ATOM 41 C THR A 5 -3.533 5.030 -2.493 1.00 0.00 C ATOM 42 O THR A 5 -3.980 6.034 -2.032 1.00 0.00 O ATOM 43 CB THR A 5 -2.412 3.836 -4.181 1.00 0.00 C ATOM 44 OG1 THR A 5 -2.596 2.979 -5.241 1.00 0.00 O ATOM 45 CG2 THR A 5 -3.638 3.034 -4.452 1.00 0.00 C ATOM 0 H THR A 5 -1.638 6.523 -3.445 1.00 0.00 H new ATOM 0 HA THR A 5 -3.953 5.266 -4.669 1.00 0.00 H new ATOM 0 HB THR A 5 -1.477 4.028 -3.655 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.359 1.999 -4.649 1.00 0.00 H new ATOM 0 HG22 THR A 5 -4.298 3.073 -3.585 1.00 0.00 H new ATOM 0 HG23 THR A 5 -4.155 3.442 -5.320 1.00 0.00 H new ATOM 48 N THR A 6 -3.461 3.822 -1.878 1.00 0.00 N ATOM 49 CA THR A 6 -3.823 3.513 -0.498 1.00 0.00 C ATOM 50 C THR A 6 -2.740 4.313 0.208 1.00 0.00 C ATOM 51 O THR A 6 -2.388 5.397 -0.249 1.00 0.00 O ATOM 52 CB THR A 6 -3.727 2.011 -0.139 1.00 0.00 C ATOM 53 OG1 THR A 6 -4.344 1.045 -0.909 1.00 0.00 O ATOM 54 CG2 THR A 6 -4.087 1.575 1.266 1.00 0.00 C ATOM 0 H THR A 6 -3.126 2.997 -2.375 1.00 0.00 H new ATOM 0 HA THR A 6 -4.857 3.748 -0.246 1.00 0.00 H new ATOM 0 HB THR A 6 -2.655 2.035 -0.337 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.997 1.085 -1.824 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.967 0.495 1.354 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.431 2.072 1.981 1.00 0.00 H new ATOM 0 HG23 THR A 6 -5.122 1.843 1.476 1.00 0.00 H new ATOM 57 N ALA A 7 -2.467 3.928 1.435 1.00 0.00 N ATOM 58 CA ALA A 7 -1.631 4.670 2.391 1.00 0.00 C ATOM 59 C ALA A 7 -2.421 5.031 3.610 1.00 0.00 C ATOM 60 O ALA A 7 -2.750 6.208 3.725 1.00 0.00 O ATOM 61 CB ALA A 7 -0.876 5.918 1.839 1.00 0.00 C ATOM 0 H ALA A 7 -2.829 3.057 1.823 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.833 3.970 2.638 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.296 6.376 2.640 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.206 5.612 1.035 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.597 6.639 1.455 1.00 0.00 H new ATOM 63 N THR A 8 -2.814 4.040 4.414 1.00 0.00 N ATOM 64 CA THR A 8 -3.689 4.324 5.579 1.00 0.00 C ATOM 65 C THR A 8 -5.113 4.453 5.061 1.00 0.00 C ATOM 66 O THR A 8 -5.623 5.580 5.003 1.00 0.00 O ATOM 67 CB THR A 8 -3.299 5.661 6.264 1.00 0.00 C ATOM 68 OG1 THR A 8 -1.996 5.527 6.793 1.00 0.00 O ATOM 69 CG2 THR A 8 -4.222 6.251 7.335 1.00 0.00 C ATOM 0 H THR A 8 -2.556 3.060 4.296 1.00 0.00 H new ATOM 0 HA THR A 8 -3.587 3.520 6.308 1.00 0.00 H new ATOM 0 HB THR A 8 -3.387 6.389 5.458 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.732 6.364 7.229 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.798 7.184 7.707 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.204 6.445 6.903 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.322 5.544 8.159 1.00 0.00 H new ATOM 72 N SER A 9 -5.649 3.337 4.543 1.00 0.00 N ATOM 73 CA SER A 9 -7.053 3.229 4.085 1.00 0.00 C ATOM 74 C SER A 9 -7.204 3.372 2.546 1.00 0.00 C ATOM 75 O SER A 9 -6.309 2.940 1.833 1.00 0.00 O ATOM 76 CB SER A 9 -7.892 4.235 4.889 1.00 0.00 C ATOM 77 OG SER A 9 -8.109 4.057 6.254 1.00 0.00 O ATOM 0 H SER A 9 -5.119 2.473 4.427 1.00 0.00 H new ATOM 0 HA SER A 9 -7.427 2.224 4.280 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.425 5.212 4.764 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.872 4.286 4.414 1.00 0.00 H new ATOM 0 HG SER A 9 -8.660 4.792 6.596 1.00 0.00 H new ATOM 80 N PRO A 10 -8.294 3.923 1.974 1.00 0.00 N ATOM 81 CA PRO A 10 -8.423 4.130 0.529 1.00 0.00 C ATOM 82 C PRO A 10 -7.565 5.291 0.025 1.00 0.00 C ATOM 83 O PRO A 10 -7.208 5.319 -1.153 1.00 0.00 O ATOM 84 CB PRO A 10 -9.922 4.400 0.351 1.00 0.00 C ATOM 85 CG PRO A 10 -10.362 5.136 1.606 1.00 0.00 C ATOM 86 CD PRO A 10 -9.621 4.243 2.556 1.00 0.00 C ATOM 0 HA PRO A 10 -8.070 3.277 -0.051 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.108 5.000 -0.540 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.475 3.469 0.229 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.036 6.176 1.640 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.441 5.135 1.757 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.501 4.735 3.521 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.186 3.328 2.733 1.00 0.00 H new ATOM 87 N ILE A 11 -7.339 6.276 0.901 1.00 0.00 N ATOM 88 CA ILE A 11 -6.510 7.470 0.597 1.00 0.00 C ATOM 89 C ILE A 11 -7.240 8.158 -0.534 1.00 0.00 C ATOM 90 O ILE A 11 -8.430 7.931 -0.716 1.00 0.00 O ATOM 91 CB ILE A 11 -5.060 7.075 0.227 1.00 0.00 C ATOM 92 CG1 ILE A 11 -4.388 6.681 1.493 1.00 0.00 C ATOM 93 CG2 ILE A 11 -4.049 8.131 -0.245 1.00 0.00 C ATOM 94 CD1 ILE A 11 -4.965 5.420 2.076 1.00 0.00 C ATOM 0 H ILE A 11 -7.722 6.277 1.846 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.396 8.132 1.455 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.240 6.372 -0.586 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.323 6.539 1.308 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.481 7.490 2.218 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.093 7.651 -0.454 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.420 8.611 -1.151 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.916 8.881 0.534 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.441 5.173 3.000 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.024 5.568 2.288 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.849 4.603 1.364 1.00 0.00 H new ATOM 96 N SER A 12 -6.503 8.955 -1.277 1.00 0.00 N ATOM 97 CA SER A 12 -6.990 9.700 -2.427 1.00 0.00 C ATOM 98 C SER A 12 -5.832 10.352 -3.151 1.00 0.00 C ATOM 99 O SER A 12 -5.977 11.510 -3.536 1.00 0.00 O ATOM 100 CB SER A 12 -7.924 10.793 -1.909 1.00 0.00 C ATOM 101 OG SER A 12 -9.148 10.177 -1.541 1.00 0.00 O ATOM 0 H SER A 12 -5.512 9.110 -1.093 1.00 0.00 H new ATOM 0 HA SER A 12 -7.506 9.031 -3.115 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.480 11.302 -1.053 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.092 11.548 -2.677 1.00 0.00 H new ATOM 0 HG SER A 12 -9.076 9.207 -1.662 1.00 0.00 H new ATOM 104 N ALA A 13 -4.689 9.667 -3.201 1.00 0.00 N ATOM 105 CA ALA A 13 -3.512 10.184 -3.892 1.00 0.00 C ATOM 106 C ALA A 13 -2.575 10.746 -2.870 1.00 0.00 C ATOM 107 O ALA A 13 -1.432 10.618 -3.222 1.00 0.00 O ATOM 108 CB ALA A 13 -3.695 11.254 -4.981 1.00 0.00 C ATOM 0 H ALA A 13 -4.555 8.752 -2.770 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.149 9.313 -4.437 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.722 11.526 -5.391 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.326 10.859 -5.777 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.166 12.137 -4.548 1.00 0.00 H new ATOM 110 N VAL A 14 -3.065 11.209 -1.700 1.00 0.00 N ATOM 111 CA VAL A 14 -2.286 11.734 -0.558 1.00 0.00 C ATOM 112 C VAL A 14 -0.837 11.875 -0.928 1.00 0.00 C ATOM 113 O VAL A 14 -0.467 13.027 -1.076 1.00 0.00 O ATOM 114 CB VAL A 14 -2.421 10.925 0.740 1.00 0.00 C ATOM 115 CG1 VAL A 14 -1.393 11.301 1.822 1.00 0.00 C ATOM 116 CG2 VAL A 14 -3.808 11.193 1.312 1.00 0.00 C ATOM 0 H VAL A 14 -4.068 11.228 -1.517 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.720 12.711 -0.343 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.251 9.880 0.483 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.555 10.685 2.707 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.386 11.132 1.441 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.510 12.352 2.085 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.935 10.631 2.237 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.918 12.258 1.517 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -4.565 10.882 0.592 1.00 0.00 H new ATOM 118 N THR A 15 -0.182 10.714 -1.016 1.00 0.00 N ATOM 119 CA THR A 15 1.189 10.599 -1.504 1.00 0.00 C ATOM 120 C THR A 15 2.024 10.596 -0.249 1.00 0.00 C ATOM 121 O THR A 15 3.089 11.204 -0.173 1.00 0.00 O ATOM 122 CB THR A 15 1.723 11.702 -2.453 1.00 0.00 C ATOM 123 OG1 THR A 15 1.983 12.916 -1.755 1.00 0.00 O ATOM 124 CG2 THR A 15 0.944 11.996 -3.722 1.00 0.00 C ATOM 0 H THR A 15 -0.595 9.821 -0.747 1.00 0.00 H new ATOM 0 HA THR A 15 1.235 9.708 -2.131 1.00 0.00 H new ATOM 0 HB THR A 15 2.644 11.246 -2.816 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.135 13.325 -1.482 1.00 0.00 H new ATOM 0 HG21 THR A 15 1.442 12.790 -4.279 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.896 11.097 -4.336 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.066 12.313 -3.464 1.00 0.00 H new ATOM 127 N CYS A 16 1.487 9.984 0.793 1.00 0.00 N ATOM 128 CA CYS A 16 2.225 9.834 2.030 1.00 0.00 C ATOM 129 C CYS A 16 2.922 11.179 2.388 1.00 0.00 C ATOM 130 O CYS A 16 2.401 12.247 2.040 1.00 0.00 O ATOM 131 CB CYS A 16 3.055 8.636 1.583 1.00 0.00 C ATOM 132 SG CYS A 16 4.752 8.900 0.896 1.00 0.00 S ATOM 0 H CYS A 16 0.548 9.586 0.805 1.00 0.00 H new ATOM 0 HA CYS A 16 1.725 9.646 2.980 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.151 7.969 2.440 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.477 8.104 0.827 1.00 0.00 H new ATOM 134 N PRO A 17 4.113 11.120 2.990 1.00 0.00 N ATOM 135 CA PRO A 17 4.865 12.317 3.322 1.00 0.00 C ATOM 136 C PRO A 17 5.588 12.900 2.074 1.00 0.00 C ATOM 137 O PRO A 17 5.060 12.831 0.958 1.00 0.00 O ATOM 138 CB PRO A 17 5.651 11.689 4.496 1.00 0.00 C ATOM 139 CG PRO A 17 6.148 10.368 3.983 1.00 0.00 C ATOM 140 CD PRO A 17 4.701 10.007 3.776 1.00 0.00 C ATOM 0 HA PRO A 17 4.372 13.244 3.616 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.479 12.329 4.801 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.013 11.556 5.369 1.00 0.00 H new ATOM 0 HG2 PRO A 17 6.757 10.411 3.080 1.00 0.00 H new ATOM 0 HG3 PRO A 17 6.689 9.755 4.704 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.607 9.060 3.244 1.00 0.00 H new ATOM 0 HD3 PRO A 17 4.188 9.889 4.730 1.00 0.00 H new ATOM 141 N PRO A 18 6.759 13.537 2.268 1.00 0.00 N ATOM 142 CA PRO A 18 7.536 14.153 1.188 1.00 0.00 C ATOM 143 C PRO A 18 8.201 13.070 0.345 1.00 0.00 C ATOM 144 O PRO A 18 7.521 12.225 -0.178 1.00 0.00 O ATOM 145 CB PRO A 18 8.528 15.050 1.939 1.00 0.00 C ATOM 146 CG PRO A 18 8.854 14.285 3.215 1.00 0.00 C ATOM 147 CD PRO A 18 7.455 13.838 3.541 1.00 0.00 C ATOM 0 HA PRO A 18 6.950 14.731 0.474 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.425 15.231 1.346 1.00 0.00 H new ATOM 0 HB3 PRO A 18 8.091 16.023 2.162 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.541 13.454 3.051 1.00 0.00 H new ATOM 0 HG3 PRO A 18 9.293 14.914 3.990 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.477 12.956 4.181 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.925 14.616 4.090 1.00 0.00 H new ATOM 148 N GLY A 19 9.530 13.052 0.289 1.00 0.00 N ATOM 149 CA GLY A 19 10.295 12.092 -0.522 1.00 0.00 C ATOM 150 C GLY A 19 10.276 12.462 -2.005 1.00 0.00 C ATOM 151 O GLY A 19 11.192 12.089 -2.729 1.00 0.00 O ATOM 0 H GLY A 19 10.117 13.706 0.807 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.326 12.058 -0.169 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.880 11.093 -0.391 1.00 0.00 H new ATOM 153 N GLU A 20 9.233 13.189 -2.415 1.00 0.00 N ATOM 154 CA GLU A 20 9.082 13.673 -3.790 1.00 0.00 C ATOM 155 C GLU A 20 9.050 12.463 -4.729 1.00 0.00 C ATOM 156 O GLU A 20 9.953 12.307 -5.543 1.00 0.00 O ATOM 157 CB GLU A 20 10.265 14.587 -4.152 1.00 0.00 C ATOM 158 CG GLU A 20 9.865 15.586 -5.232 1.00 0.00 C ATOM 159 CD GLU A 20 9.360 14.909 -6.509 1.00 0.00 C ATOM 160 OE1 GLU A 20 8.134 14.646 -6.551 1.00 0.00 O ATOM 161 OE2 GLU A 20 10.210 14.709 -7.400 1.00 0.00 O ATOM 0 H GLU A 20 8.466 13.460 -1.800 1.00 0.00 H new ATOM 0 HA GLU A 20 8.158 14.244 -3.888 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.604 15.121 -3.264 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.103 13.984 -4.500 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.087 16.243 -4.843 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.722 16.215 -5.474 1.00 0.00 H new ATOM 163 N ASN A 21 8.137 11.550 -4.452 1.00 0.00 N ATOM 164 CA ASN A 21 7.814 10.389 -5.319 1.00 0.00 C ATOM 165 C ASN A 21 8.224 9.190 -4.538 1.00 0.00 C ATOM 166 O ASN A 21 9.295 9.306 -3.955 1.00 0.00 O ATOM 167 CB ASN A 21 8.458 10.299 -6.708 1.00 0.00 C ATOM 168 CG ASN A 21 7.940 11.418 -7.606 1.00 0.00 C ATOM 169 OD1 ASN A 21 8.652 12.192 -8.227 1.00 0.00 O ATOM 170 ND2 ASN A 21 6.639 11.383 -7.776 1.00 0.00 N ATOM 0 H ASN A 21 7.575 11.580 -3.601 1.00 0.00 H new ATOM 0 HA ASN A 21 6.754 10.484 -5.555 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.542 10.368 -6.619 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.236 9.331 -7.157 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.195 12.014 -8.443 1.00 0.00 H new ATOM 0 HD22 ASN A 21 6.072 10.724 -7.242 1.00 0.00 H new ATOM 174 N LEU A 22 7.301 8.230 -4.405 1.00 0.00 N ATOM 175 CA LEU A 22 7.501 6.996 -3.615 1.00 0.00 C ATOM 176 C LEU A 22 6.234 6.645 -2.866 1.00 0.00 C ATOM 177 O LEU A 22 5.197 7.145 -3.229 1.00 0.00 O ATOM 178 CB LEU A 22 8.627 7.139 -2.587 1.00 0.00 C ATOM 179 CG LEU A 22 9.463 5.897 -2.549 1.00 0.00 C ATOM 180 CD1 LEU A 22 10.949 6.147 -2.342 1.00 0.00 C ATOM 181 CD2 LEU A 22 8.994 5.257 -1.311 1.00 0.00 C ATOM 0 H LEU A 22 6.382 8.283 -4.845 1.00 0.00 H new ATOM 0 HA LEU A 22 7.768 6.214 -4.326 1.00 0.00 H new ATOM 0 HB2 LEU A 22 9.251 7.997 -2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.205 7.331 -1.601 1.00 0.00 H new ATOM 0 HG LEU A 22 9.365 5.348 -3.486 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.480 5.195 -2.327 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.331 6.763 -3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.103 6.663 -1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.532 4.321 -1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.175 5.922 -0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.926 5.053 -1.389 1.00 0.00 H new ATOM 183 N CYS A 23 6.330 5.762 -1.889 1.00 0.00 N ATOM 184 CA CYS A 23 5.298 5.291 -0.965 1.00 0.00 C ATOM 185 C CYS A 23 5.556 3.827 -0.684 1.00 0.00 C ATOM 186 O CYS A 23 5.228 2.948 -1.481 1.00 0.00 O ATOM 187 CB CYS A 23 3.964 5.303 -1.645 1.00 0.00 C ATOM 188 SG CYS A 23 2.408 5.202 -0.736 1.00 0.00 S ATOM 0 H CYS A 23 7.222 5.306 -1.698 1.00 0.00 H new ATOM 0 HA CYS A 23 5.313 5.921 -0.076 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.922 6.220 -2.233 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.967 4.472 -2.351 1.00 0.00 H new ATOM 190 N TYR A 24 6.106 3.614 0.495 1.00 0.00 N ATOM 191 CA TYR A 24 6.325 2.245 0.980 1.00 0.00 C ATOM 192 C TYR A 24 5.180 1.234 0.760 1.00 0.00 C ATOM 193 O TYR A 24 4.115 1.233 1.339 1.00 0.00 O ATOM 194 CB TYR A 24 6.912 2.327 2.403 1.00 0.00 C ATOM 195 CG TYR A 24 6.004 1.955 3.556 1.00 0.00 C ATOM 196 CD1 TYR A 24 4.656 2.186 3.437 1.00 0.00 C ATOM 197 CD2 TYR A 24 6.457 1.150 4.564 1.00 0.00 C ATOM 198 CE1 TYR A 24 3.711 1.446 4.108 1.00 0.00 C ATOM 199 CE2 TYR A 24 5.520 0.556 5.396 1.00 0.00 C ATOM 200 CZ TYR A 24 4.160 0.656 5.128 1.00 0.00 C ATOM 201 OH TYR A 24 3.239 0.172 5.979 1.00 0.00 O ATOM 0 H TYR A 24 6.409 4.350 1.133 1.00 0.00 H new ATOM 0 HA TYR A 24 7.060 1.769 0.331 1.00 0.00 H new ATOM 0 HB2 TYR A 24 7.789 1.680 2.443 1.00 0.00 H new ATOM 0 HB3 TYR A 24 7.261 3.347 2.565 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.323 2.983 2.789 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.514 0.982 4.708 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.665 1.487 3.842 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.852 0.008 6.265 1.00 0.00 H new ATOM 0 HH TYR A 24 3.259 -0.808 5.961 1.00 0.00 H new ATOM 208 N ARG A 25 5.197 0.426 -0.251 1.00 0.00 N ATOM 209 CA ARG A 25 4.045 -0.476 -0.350 1.00 0.00 C ATOM 210 C ARG A 25 4.233 -1.691 0.545 1.00 0.00 C ATOM 211 O ARG A 25 5.310 -2.271 0.533 1.00 0.00 O ATOM 212 CB ARG A 25 3.656 -0.670 -1.783 1.00 0.00 C ATOM 213 CG ARG A 25 2.435 -1.572 -1.823 1.00 0.00 C ATOM 214 CD ARG A 25 2.191 -1.983 -3.252 1.00 0.00 C ATOM 215 NE ARG A 25 3.148 -3.040 -3.583 1.00 0.00 N ATOM 216 CZ ARG A 25 3.260 -3.646 -4.753 1.00 0.00 C ATOM 217 NH1 ARG A 25 2.418 -3.348 -5.727 1.00 0.00 N ATOM 218 NH2 ARG A 25 4.225 -4.532 -4.958 1.00 0.00 N ATOM 0 H ARG A 25 5.915 0.353 -0.972 1.00 0.00 H new ATOM 0 HA ARG A 25 3.139 -0.039 0.070 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.436 0.290 -2.251 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.478 -1.117 -2.343 1.00 0.00 H new ATOM 0 HG2 ARG A 25 2.593 -2.451 -1.198 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.565 -1.050 -1.425 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.169 -2.340 -3.378 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.316 -1.132 -3.921 1.00 0.00 H new ATOM 0 HE ARG A 25 3.786 -3.336 -2.844 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.687 -2.654 -5.574 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.500 -3.812 -6.632 1.00 0.00 H new ATOM 0 HH21 ARG A 25 4.885 -4.749 -4.211 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.307 -4.997 -5.862 1.00 0.00 H new ATOM 225 N LYS A 26 3.237 -1.997 1.363 1.00 0.00 N ATOM 226 CA LYS A 26 3.317 -3.222 2.170 1.00 0.00 C ATOM 227 C LYS A 26 1.904 -3.707 2.417 1.00 0.00 C ATOM 228 O LYS A 26 1.072 -2.841 2.609 1.00 0.00 O ATOM 229 CB LYS A 26 3.977 -2.873 3.498 1.00 0.00 C ATOM 230 CG LYS A 26 4.239 -4.151 4.271 1.00 0.00 C ATOM 231 CD LYS A 26 4.884 -3.831 5.599 1.00 0.00 C ATOM 232 CE LYS A 26 5.169 -5.144 6.292 1.00 0.00 C ATOM 233 NZ LYS A 26 5.604 -4.931 7.668 1.00 0.00 N ATOM 0 H LYS A 26 2.390 -1.443 1.490 1.00 0.00 H new ATOM 0 HA LYS A 26 3.895 -3.996 1.664 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.912 -2.340 3.325 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.333 -2.209 4.075 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.303 -4.686 4.432 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.887 -4.809 3.692 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.805 -3.267 5.452 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.224 -3.212 6.207 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.273 -5.765 6.283 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.939 -5.688 5.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.336 -5.628 7.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.993 -3.971 7.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.793 -5.041 8.310 1.00 0.00 H new ATOM 238 N MET A 27 1.723 -5.007 2.596 1.00 0.00 N ATOM 239 CA MET A 27 0.443 -5.707 2.784 1.00 0.00 C ATOM 240 C MET A 27 -0.290 -5.905 1.467 1.00 0.00 C ATOM 241 O MET A 27 0.149 -5.405 0.434 1.00 0.00 O ATOM 242 CB MET A 27 -0.488 -4.974 3.737 1.00 0.00 C ATOM 243 CG MET A 27 -0.143 -5.183 5.191 1.00 0.00 C ATOM 244 SD MET A 27 -1.485 -4.453 6.191 1.00 0.00 S ATOM 245 CE MET A 27 -0.947 -4.992 7.794 1.00 0.00 C ATOM 0 H MET A 27 2.513 -5.651 2.617 1.00 0.00 H new ATOM 0 HA MET A 27 0.705 -6.674 3.213 1.00 0.00 H new ATOM 0 HB2 MET A 27 -0.458 -3.908 3.514 1.00 0.00 H new ATOM 0 HB3 MET A 27 -1.511 -5.308 3.562 1.00 0.00 H new ATOM 0 HG2 MET A 27 -0.038 -6.246 5.410 1.00 0.00 H new ATOM 0 HG3 MET A 27 0.811 -4.712 5.429 1.00 0.00 H new ATOM 0 HE1 MET A 27 -1.648 -4.639 8.551 1.00 0.00 H new ATOM 0 HE2 MET A 27 -0.906 -6.081 7.817 1.00 0.00 H new ATOM 0 HE3 MET A 27 0.044 -4.587 8.001 1.00 0.00 H new ATOM 247 N TRP A 28 -1.370 -6.676 1.555 1.00 0.00 N ATOM 248 CA TRP A 28 -2.202 -7.050 0.393 1.00 0.00 C ATOM 249 C TRP A 28 -3.141 -8.188 0.745 1.00 0.00 C ATOM 250 O TRP A 28 -4.350 -8.114 0.540 1.00 0.00 O ATOM 251 CB TRP A 28 -1.328 -7.461 -0.797 1.00 0.00 C ATOM 252 CG TRP A 28 -2.091 -7.837 -2.051 1.00 0.00 C ATOM 253 CD1 TRP A 28 -2.626 -7.028 -2.960 1.00 0.00 C ATOM 254 CD2 TRP A 28 -2.326 -9.137 -2.434 1.00 0.00 C ATOM 255 NE1 TRP A 28 -3.181 -7.778 -3.910 1.00 0.00 N ATOM 256 CE2 TRP A 28 -3.035 -9.067 -3.619 1.00 0.00 C ATOM 257 CE3 TRP A 28 -1.994 -10.359 -1.879 1.00 0.00 C ATOM 258 CZ2 TRP A 28 -3.457 -10.220 -4.252 1.00 0.00 C ATOM 259 CZ3 TRP A 28 -2.410 -11.517 -2.516 1.00 0.00 C ATOM 260 CH2 TRP A 28 -3.129 -11.453 -3.704 1.00 0.00 C ATOM 0 H TRP A 28 -1.703 -7.067 2.436 1.00 0.00 H new ATOM 0 HA TRP A 28 -2.790 -6.175 0.116 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -0.652 -6.639 -1.033 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.709 -8.307 -0.499 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.613 -5.948 -2.933 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -3.650 -7.416 -4.740 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.421 -10.410 -0.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.035 -10.163 -5.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -2.173 -12.479 -2.085 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.433 -12.363 -4.201 1.00 0.00 H new ATOM 268 N CYS A 29 -2.556 -9.139 1.449 1.00 0.00 N ATOM 269 CA CYS A 29 -3.289 -10.335 1.814 1.00 0.00 C ATOM 270 C CYS A 29 -3.390 -10.293 3.326 1.00 0.00 C ATOM 271 O CYS A 29 -2.897 -11.247 3.911 1.00 0.00 O ATOM 272 CB CYS A 29 -2.515 -11.581 1.345 1.00 0.00 C ATOM 273 SG CYS A 29 -3.585 -13.022 1.650 1.00 0.00 S ATOM 0 H CYS A 29 -1.590 -9.108 1.775 1.00 0.00 H new ATOM 0 HA CYS A 29 -4.275 -10.381 1.352 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -2.265 -11.504 0.287 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.575 -11.677 1.888 1.00 0.00 H new ATOM 275 N ASP A 30 -3.963 -9.209 3.888 1.00 0.00 N ATOM 276 CA ASP A 30 -4.226 -9.050 5.338 1.00 0.00 C ATOM 277 C ASP A 30 -3.295 -9.897 6.189 1.00 0.00 C ATOM 278 O ASP A 30 -2.308 -9.336 6.560 1.00 0.00 O ATOM 279 CB ASP A 30 -5.684 -9.363 5.686 1.00 0.00 C ATOM 280 CG ASP A 30 -6.149 -10.660 5.014 1.00 0.00 C ATOM 281 OD1 ASP A 30 -6.234 -10.687 3.771 1.00 0.00 O ATOM 282 OD2 ASP A 30 -6.263 -11.668 5.728 1.00 0.00 O ATOM 0 H ASP A 30 -4.262 -8.403 3.339 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.031 -8.003 5.568 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.791 -9.452 6.767 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.321 -8.538 5.369 1.00 0.00 H new ATOM 284 N ALA A 31 -3.569 -11.192 6.326 1.00 0.00 N ATOM 285 CA ALA A 31 -2.671 -12.209 6.895 1.00 0.00 C ATOM 286 C ALA A 31 -3.398 -13.561 6.960 1.00 0.00 C ATOM 287 O ALA A 31 -2.869 -14.559 7.436 1.00 0.00 O ATOM 288 CB ALA A 31 -2.235 -11.792 8.298 1.00 0.00 C ATOM 0 H ALA A 31 -4.463 -11.585 6.031 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.789 -12.302 6.261 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.570 -12.550 8.713 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.711 -10.838 8.247 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.113 -11.690 8.937 1.00 0.00 H new ATOM 290 N PHE A 32 -4.637 -13.566 6.492 1.00 0.00 N ATOM 291 CA PHE A 32 -5.502 -14.741 6.503 1.00 0.00 C ATOM 292 C PHE A 32 -5.752 -15.264 5.107 1.00 0.00 C ATOM 293 O PHE A 32 -6.391 -16.310 5.011 1.00 0.00 O ATOM 294 CB PHE A 32 -6.828 -14.410 7.186 1.00 0.00 C ATOM 295 CG PHE A 32 -6.583 -14.264 8.682 1.00 0.00 C ATOM 296 CD1 PHE A 32 -6.423 -15.406 9.455 1.00 0.00 C ATOM 297 CD2 PHE A 32 -6.515 -13.002 9.255 1.00 0.00 C ATOM 298 CE1 PHE A 32 -6.187 -15.284 10.817 1.00 0.00 C ATOM 299 CE2 PHE A 32 -6.287 -12.884 10.619 1.00 0.00 C ATOM 300 CZ PHE A 32 -6.121 -14.023 11.399 1.00 0.00 C ATOM 0 H PHE A 32 -5.079 -12.741 6.087 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.992 -15.524 7.064 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -7.243 -13.488 6.779 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.557 -15.198 6.998 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -6.482 -16.383 8.999 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -6.638 -12.119 8.645 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.055 -16.167 11.424 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.238 -11.906 11.075 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.940 -13.928 12.460 1.00 0.00 H new ATOM 307 N CYS A 33 -5.341 -14.495 4.083 1.00 0.00 N ATOM 308 CA CYS A 33 -5.530 -14.882 2.673 1.00 0.00 C ATOM 309 C CYS A 33 -6.884 -15.566 2.472 1.00 0.00 C ATOM 310 O CYS A 33 -6.983 -16.625 1.864 1.00 0.00 O ATOM 311 CB CYS A 33 -4.354 -15.755 2.176 1.00 0.00 C ATOM 312 SG CYS A 33 -2.767 -14.868 1.927 1.00 0.00 S ATOM 0 H CYS A 33 -4.873 -13.597 4.207 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.534 -13.978 2.065 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.192 -16.560 2.893 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.642 -16.221 1.234 1.00 0.00 H new ATOM 314 N SER A 34 -7.871 -15.033 3.197 1.00 0.00 N ATOM 315 CA SER A 34 -9.188 -15.671 3.262 1.00 0.00 C ATOM 316 C SER A 34 -10.056 -15.101 2.159 1.00 0.00 C ATOM 317 O SER A 34 -11.267 -15.031 2.354 1.00 0.00 O ATOM 318 CB SER A 34 -9.861 -15.420 4.616 1.00 0.00 C ATOM 319 OG SER A 34 -9.230 -16.199 5.625 1.00 0.00 O ATOM 0 H SER A 34 -7.786 -14.174 3.740 1.00 0.00 H new ATOM 0 HA SER A 34 -9.063 -16.747 3.140 1.00 0.00 H new ATOM 0 HB2 SER A 34 -9.800 -14.362 4.871 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.919 -15.674 4.558 1.00 0.00 H new ATOM 0 HG SER A 34 -8.292 -16.349 5.384 1.00 0.00 H new ATOM 322 N SER A 35 -9.403 -14.705 1.059 1.00 0.00 N ATOM 323 CA SER A 35 -10.024 -14.074 -0.121 1.00 0.00 C ATOM 324 C SER A 35 -9.897 -12.562 -0.022 1.00 0.00 C ATOM 325 O SER A 35 -9.259 -12.024 0.893 1.00 0.00 O ATOM 326 CB SER A 35 -11.501 -14.456 -0.338 1.00 0.00 C ATOM 327 OG SER A 35 -11.577 -15.869 -0.493 1.00 0.00 O ATOM 0 H SER A 35 -8.394 -14.817 0.959 1.00 0.00 H new ATOM 0 HA SER A 35 -9.482 -14.455 -0.986 1.00 0.00 H new ATOM 0 HB2 SER A 35 -12.105 -14.134 0.510 1.00 0.00 H new ATOM 0 HB3 SER A 35 -11.897 -13.955 -1.221 1.00 0.00 H new ATOM 0 HG SER A 35 -12.511 -16.133 -0.631 1.00 0.00 H new ATOM 330 N ARG A 36 -10.561 -11.898 -0.971 1.00 0.00 N ATOM 331 CA ARG A 36 -10.615 -10.432 -0.989 1.00 0.00 C ATOM 332 C ARG A 36 -9.184 -9.866 -1.107 1.00 0.00 C ATOM 333 O ARG A 36 -8.339 -10.436 -1.796 1.00 0.00 O ATOM 334 CB ARG A 36 -11.285 -10.074 0.344 1.00 0.00 C ATOM 335 CG ARG A 36 -12.693 -10.667 0.481 1.00 0.00 C ATOM 336 CD ARG A 36 -13.302 -10.226 1.818 1.00 0.00 C ATOM 337 NE ARG A 36 -13.423 -8.767 2.066 1.00 0.00 N ATOM 338 CZ ARG A 36 -14.481 -7.998 1.772 1.00 0.00 C ATOM 339 NH1 ARG A 36 -15.538 -8.501 1.145 1.00 0.00 N ATOM 340 NH2 ARG A 36 -14.424 -6.689 1.984 1.00 0.00 N ATOM 0 H ARG A 36 -11.067 -12.348 -1.734 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.167 -10.014 -1.831 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.664 -10.432 1.165 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.342 -8.989 0.437 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.322 -10.335 -0.345 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.648 -11.755 0.430 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.297 -10.664 1.896 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.701 -10.655 2.620 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.625 -8.306 2.502 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.553 -9.486 0.880 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.335 -7.903 0.929 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -13.577 -6.271 2.369 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -15.227 -6.101 1.761 1.00 0.00 H new ATOM 347 N GLY A 37 -8.921 -8.830 -0.306 1.00 0.00 N ATOM 348 CA GLY A 37 -7.601 -8.189 -0.249 1.00 0.00 C ATOM 349 C GLY A 37 -7.727 -6.691 -0.501 1.00 0.00 C ATOM 350 O GLY A 37 -7.642 -6.213 -1.629 1.00 0.00 O ATOM 0 H GLY A 37 -9.611 -8.413 0.318 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.147 -8.363 0.726 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.941 -8.635 -0.993 1.00 0.00 H new ATOM 352 N LYS A 38 -7.996 -5.990 0.593 1.00 0.00 N ATOM 353 CA LYS A 38 -8.087 -4.521 0.577 1.00 0.00 C ATOM 354 C LYS A 38 -7.657 -3.919 1.928 1.00 0.00 C ATOM 355 O LYS A 38 -8.178 -2.928 2.433 1.00 0.00 O ATOM 356 CB LYS A 38 -9.527 -4.159 0.224 1.00 0.00 C ATOM 357 CG LYS A 38 -9.654 -2.664 0.029 1.00 0.00 C ATOM 358 CD LYS A 38 -11.135 -2.363 -0.044 1.00 0.00 C ATOM 359 CE LYS A 38 -11.445 -0.912 0.309 1.00 0.00 C ATOM 360 NZ LYS A 38 -12.625 -0.391 -0.403 1.00 0.00 N ATOM 0 H LYS A 38 -8.157 -6.409 1.509 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.406 -4.103 -0.165 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.829 -4.679 -0.685 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.198 -4.489 1.017 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.189 -2.125 0.854 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.149 -2.348 -0.884 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.498 -2.576 -1.049 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.672 -3.024 0.636 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.610 -0.831 1.383 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.580 -0.292 0.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.168 0.229 0.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.317 0.151 -1.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.224 -1.184 -0.709 1.00 0.00 H new ATOM 365 N VAL A 39 -6.722 -4.607 2.568 1.00 0.00 N ATOM 366 CA VAL A 39 -6.179 -4.173 3.871 1.00 0.00 C ATOM 367 C VAL A 39 -4.653 -4.032 3.774 1.00 0.00 C ATOM 368 O VAL A 39 -3.873 -4.649 4.498 1.00 0.00 O ATOM 369 CB VAL A 39 -6.648 -5.146 4.974 1.00 0.00 C ATOM 370 CG1 VAL A 39 -6.010 -4.891 6.344 1.00 0.00 C ATOM 371 CG2 VAL A 39 -8.154 -5.003 5.196 1.00 0.00 C ATOM 0 H VAL A 39 -6.315 -5.473 2.214 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.560 -3.189 4.144 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.355 -6.132 4.614 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.391 -5.616 7.063 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.928 -4.992 6.266 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.257 -3.883 6.679 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.474 -5.694 5.976 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.382 -3.981 5.500 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.682 -5.232 4.270 1.00 0.00 H new ATOM 373 N VAL A 40 -4.220 -3.321 2.747 1.00 0.00 N ATOM 374 CA VAL A 40 -2.781 -3.099 2.571 1.00 0.00 C ATOM 375 C VAL A 40 -2.322 -2.026 3.584 1.00 0.00 C ATOM 376 O VAL A 40 -3.068 -1.585 4.453 1.00 0.00 O ATOM 377 CB VAL A 40 -2.480 -2.792 1.092 1.00 0.00 C ATOM 378 CG1 VAL A 40 -1.007 -2.819 0.747 1.00 0.00 C ATOM 379 CG2 VAL A 40 -2.849 -3.926 0.167 1.00 0.00 C ATOM 0 H VAL A 40 -4.817 -2.896 2.038 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.194 -3.990 2.793 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.003 -1.843 0.975 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.877 -2.593 -0.311 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.480 -2.075 1.344 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.602 -3.808 0.959 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.613 -3.649 -0.860 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.285 -4.817 0.441 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.916 -4.132 0.251 1.00 0.00 H new ATOM 381 N GLU A 41 -1.063 -1.652 3.474 1.00 0.00 N ATOM 382 CA GLU A 41 -0.402 -0.617 4.275 1.00 0.00 C ATOM 383 C GLU A 41 0.171 0.515 3.470 1.00 0.00 C ATOM 384 O GLU A 41 -0.239 1.624 3.772 1.00 0.00 O ATOM 385 CB GLU A 41 0.805 -1.143 5.001 1.00 0.00 C ATOM 386 CG GLU A 41 0.389 -2.021 6.140 1.00 0.00 C ATOM 387 CD GLU A 41 -0.465 -1.331 7.193 1.00 0.00 C ATOM 388 OE1 GLU A 41 -1.697 -1.180 7.012 1.00 0.00 O ATOM 389 OE2 GLU A 41 0.195 -1.000 8.192 1.00 0.00 O ATOM 0 H GLU A 41 -0.434 -2.077 2.793 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.206 -0.285 4.932 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.435 -1.705 4.312 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.403 -0.312 5.374 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.165 -2.871 5.742 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.283 -2.419 6.620 1.00 0.00 H new ATOM 391 N LEU A 42 0.990 0.176 2.455 1.00 0.00 N ATOM 392 CA LEU A 42 1.446 1.135 1.434 1.00 0.00 C ATOM 393 C LEU A 42 1.047 2.589 1.647 1.00 0.00 C ATOM 394 O LEU A 42 -0.002 3.026 1.307 1.00 0.00 O ATOM 395 CB LEU A 42 1.001 0.616 0.082 1.00 0.00 C ATOM 396 CG LEU A 42 -0.447 0.377 -0.271 1.00 0.00 C ATOM 397 CD1 LEU A 42 -1.346 0.231 0.904 1.00 0.00 C ATOM 398 CD2 LEU A 42 -0.907 1.678 -0.726 1.00 0.00 C ATOM 0 H LEU A 42 1.352 -0.768 2.322 1.00 0.00 H new ATOM 0 HA LEU A 42 2.532 1.184 1.509 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.389 1.314 -0.660 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.517 -0.332 -0.071 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.482 -0.497 -0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.367 0.062 0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.021 -0.616 1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.310 1.140 1.505 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.958 1.614 -1.009 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.792 2.406 0.077 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.317 1.992 -1.587 1.00 0.00 H new ATOM 400 N GLY A 43 1.693 3.147 2.630 1.00 0.00 N ATOM 401 CA GLY A 43 1.313 4.367 3.324 1.00 0.00 C ATOM 402 C GLY A 43 2.343 5.447 3.227 1.00 0.00 C ATOM 403 O GLY A 43 2.153 6.520 3.790 1.00 0.00 O ATOM 0 H GLY A 43 2.555 2.745 2.999 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.372 4.733 2.912 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.134 4.139 4.375 1.00 0.00 H new ATOM 405 N CYS A 44 3.501 4.919 2.829 1.00 0.00 N ATOM 406 CA CYS A 44 4.816 5.496 3.047 1.00 0.00 C ATOM 407 C CYS A 44 4.888 5.918 4.500 1.00 0.00 C ATOM 408 O CYS A 44 4.000 5.641 5.305 1.00 0.00 O ATOM 409 CB CYS A 44 4.852 6.641 2.110 1.00 0.00 C ATOM 410 SG CYS A 44 6.172 7.847 1.896 1.00 0.00 S ATOM 0 H CYS A 44 3.543 4.035 2.322 1.00 0.00 H new ATOM 0 HA CYS A 44 5.661 4.832 2.868 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.699 6.207 1.122 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.963 7.228 2.342 1.00 0.00 H new ATOM 412 N ALA A 45 6.055 6.412 4.837 1.00 0.00 N ATOM 413 CA ALA A 45 6.352 6.719 6.242 1.00 0.00 C ATOM 414 C ALA A 45 7.811 7.133 6.365 1.00 0.00 C ATOM 415 O ALA A 45 8.475 6.633 7.269 1.00 0.00 O ATOM 416 CB ALA A 45 6.086 5.502 7.166 1.00 0.00 C ATOM 0 H ALA A 45 6.811 6.612 4.182 1.00 0.00 H new ATOM 0 HA ALA A 45 5.695 7.530 6.557 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.318 5.770 8.197 1.00 0.00 H new ATOM 0 HB2 ALA A 45 5.038 5.212 7.093 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.715 4.667 6.858 1.00 0.00 H new ATOM 418 N ALA A 46 8.279 7.987 5.443 1.00 0.00 N ATOM 419 CA ALA A 46 9.677 8.492 5.362 1.00 0.00 C ATOM 420 C ALA A 46 10.208 8.365 3.927 1.00 0.00 C ATOM 421 O ALA A 46 9.784 9.099 3.039 1.00 0.00 O ATOM 422 CB ALA A 46 10.708 7.897 6.361 1.00 0.00 C ATOM 0 H ALA A 46 7.684 8.363 4.705 1.00 0.00 H new ATOM 0 HA ALA A 46 9.586 9.534 5.669 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.684 8.353 6.191 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.385 8.101 7.382 1.00 0.00 H new ATOM 0 HB3 ALA A 46 10.780 6.820 6.211 1.00 0.00 H new ATOM 424 N THR A 47 11.104 7.409 3.716 1.00 0.00 N ATOM 425 CA THR A 47 11.724 7.151 2.408 1.00 0.00 C ATOM 426 C THR A 47 11.490 5.693 2.026 1.00 0.00 C ATOM 427 O THR A 47 12.262 5.122 1.276 1.00 0.00 O ATOM 428 CB THR A 47 13.226 7.508 2.480 1.00 0.00 C ATOM 429 OG1 THR A 47 13.329 8.917 2.670 1.00 0.00 O ATOM 430 CG2 THR A 47 14.077 7.183 1.244 1.00 0.00 C ATOM 0 H THR A 47 11.429 6.781 4.451 1.00 0.00 H new ATOM 0 HA THR A 47 11.275 7.772 1.633 1.00 0.00 H new ATOM 0 HB THR A 47 13.616 6.892 3.291 1.00 0.00 H new ATOM 0 HG1 THR A 47 14.274 9.172 2.721 1.00 0.00 H new ATOM 0 HG21 THR A 47 15.109 7.482 1.424 1.00 0.00 H new ATOM 0 HG22 THR A 47 14.039 6.112 1.048 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.688 7.724 0.382 1.00 0.00 H new ATOM 433 N CYS A 48 10.428 5.074 2.539 1.00 0.00 N ATOM 434 CA CYS A 48 10.163 3.649 2.264 1.00 0.00 C ATOM 435 C CYS A 48 11.446 2.839 2.405 1.00 0.00 C ATOM 436 O CYS A 48 12.266 2.677 1.491 1.00 0.00 O ATOM 437 CB CYS A 48 9.782 3.406 0.847 1.00 0.00 C ATOM 438 SG CYS A 48 9.063 1.874 0.202 1.00 0.00 S ATOM 0 H CYS A 48 9.739 5.524 3.142 1.00 0.00 H new ATOM 0 HA CYS A 48 9.372 3.369 2.960 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.078 4.197 0.589 1.00 0.00 H new ATOM 0 HB3 CYS A 48 10.685 3.580 0.262 1.00 0.00 H new ATOM 440 N PRO A 49 11.568 2.281 3.589 1.00 0.00 N ATOM 441 CA PRO A 49 12.750 1.487 3.915 1.00 0.00 C ATOM 442 C PRO A 49 12.789 0.165 3.150 1.00 0.00 C ATOM 443 O PRO A 49 13.579 -0.710 3.488 1.00 0.00 O ATOM 444 CB PRO A 49 12.613 1.287 5.418 1.00 0.00 C ATOM 445 CG PRO A 49 11.106 1.298 5.681 1.00 0.00 C ATOM 446 CD PRO A 49 10.545 2.266 4.652 1.00 0.00 C ATOM 0 HA PRO A 49 13.685 1.972 3.633 1.00 0.00 H new ATOM 0 HB2 PRO A 49 13.062 0.345 5.734 1.00 0.00 H new ATOM 0 HB3 PRO A 49 13.116 2.081 5.970 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.676 0.303 5.565 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.883 1.625 6.696 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.579 1.932 4.273 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.395 3.259 5.077 1.00 0.00 H new ATOM 447 N SER A 50 11.838 -0.041 2.250 1.00 0.00 N ATOM 448 CA SER A 50 11.769 -1.293 1.478 1.00 0.00 C ATOM 449 C SER A 50 10.932 -2.314 2.169 1.00 0.00 C ATOM 450 O SER A 50 9.863 -2.643 1.672 1.00 0.00 O ATOM 451 CB SER A 50 13.055 -1.869 0.893 1.00 0.00 C ATOM 452 OG SER A 50 13.608 -0.889 0.012 1.00 0.00 O ATOM 0 H SER A 50 11.104 0.632 2.031 1.00 0.00 H new ATOM 0 HA SER A 50 11.272 -0.971 0.563 1.00 0.00 H new ATOM 0 HB2 SER A 50 13.761 -2.112 1.687 1.00 0.00 H new ATOM 0 HB3 SER A 50 12.850 -2.795 0.355 1.00 0.00 H new ATOM 0 HG SER A 50 14.439 -1.232 -0.379 1.00 0.00 H new ATOM 455 N LYS A 51 11.328 -2.515 3.415 1.00 0.00 N ATOM 456 CA LYS A 51 10.717 -3.519 4.274 1.00 0.00 C ATOM 457 C LYS A 51 11.034 -4.841 3.570 1.00 0.00 C ATOM 458 O LYS A 51 12.230 -5.076 3.424 1.00 0.00 O ATOM 459 CB LYS A 51 9.228 -3.168 4.419 1.00 0.00 C ATOM 460 CG LYS A 51 8.477 -3.967 5.461 1.00 0.00 C ATOM 461 CD LYS A 51 8.889 -3.408 6.810 1.00 0.00 C ATOM 462 CE LYS A 51 8.303 -4.285 7.895 1.00 0.00 C ATOM 463 NZ LYS A 51 8.568 -3.772 9.223 1.00 0.00 N ATOM 0 H LYS A 51 12.080 -1.989 3.860 1.00 0.00 H new ATOM 0 HA LYS A 51 11.084 -3.578 5.299 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.143 -2.110 4.665 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.742 -3.311 3.454 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.400 -3.878 5.317 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.722 -5.027 5.389 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.976 -3.380 6.892 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.534 -2.383 6.919 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.226 -4.368 7.749 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.715 -5.290 7.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.147 -4.407 9.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.595 -3.717 9.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.152 -2.823 9.318 1.00 0.00 H new ATOM 468 N LYS A 52 10.029 -5.730 3.482 1.00 0.00 N ATOM 469 CA LYS A 52 10.084 -7.155 3.081 1.00 0.00 C ATOM 470 C LYS A 52 9.819 -8.103 4.271 1.00 0.00 C ATOM 471 O LYS A 52 9.474 -9.259 4.021 1.00 0.00 O ATOM 472 CB LYS A 52 11.391 -7.566 2.398 1.00 0.00 C ATOM 473 CG LYS A 52 11.575 -6.723 1.137 1.00 0.00 C ATOM 474 CD LYS A 52 13.005 -6.848 0.644 1.00 0.00 C ATOM 475 CE LYS A 52 13.190 -5.957 -0.576 1.00 0.00 C ATOM 476 NZ LYS A 52 14.478 -6.276 -1.196 1.00 0.00 N ATOM 0 H LYS A 52 9.074 -5.450 3.708 1.00 0.00 H new ATOM 0 HA LYS A 52 9.286 -7.253 2.345 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.233 -7.420 3.075 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.367 -8.626 2.143 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.883 -7.053 0.363 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.343 -5.679 1.348 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.701 -6.557 1.431 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.226 -7.885 0.390 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.379 -6.115 -1.286 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.160 -4.907 -0.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.619 -5.674 -2.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.244 -6.105 -0.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.487 -7.276 -1.483 1.00 0.00 H new ATOM 481 N PRO A 53 9.993 -7.665 5.540 1.00 0.00 N ATOM 482 CA PRO A 53 9.767 -8.479 6.736 1.00 0.00 C ATOM 483 C PRO A 53 8.284 -8.673 7.016 1.00 0.00 C ATOM 484 O PRO A 53 7.778 -8.265 8.061 1.00 0.00 O ATOM 485 CB PRO A 53 10.496 -7.764 7.885 1.00 0.00 C ATOM 486 CG PRO A 53 10.627 -6.318 7.489 1.00 0.00 C ATOM 487 CD PRO A 53 10.688 -6.458 6.002 1.00 0.00 C ATOM 0 HA PRO A 53 10.158 -9.488 6.606 1.00 0.00 H new ATOM 0 HB2 PRO A 53 9.937 -7.860 8.816 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.477 -8.208 8.055 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.778 -5.718 7.816 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.523 -5.853 7.901 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.241 -5.580 5.536 1.00 0.00 H new ATOM 0 HD3 PRO A 53 11.730 -6.493 5.683 1.00 0.00 H new ATOM 488 N TYR A 54 7.602 -9.231 6.021 1.00 0.00 N ATOM 489 CA TYR A 54 6.175 -9.573 6.120 1.00 0.00 C ATOM 490 C TYR A 54 5.688 -10.182 4.809 1.00 0.00 C ATOM 491 O TYR A 54 6.502 -10.436 3.931 1.00 0.00 O ATOM 492 CB TYR A 54 5.412 -8.289 6.421 1.00 0.00 C ATOM 493 CG TYR A 54 3.918 -8.458 6.588 1.00 0.00 C ATOM 494 CD1 TYR A 54 3.464 -9.135 7.706 1.00 0.00 C ATOM 495 CD2 TYR A 54 3.083 -8.075 5.541 1.00 0.00 C ATOM 496 CE1 TYR A 54 2.128 -9.439 7.791 1.00 0.00 C ATOM 497 CE2 TYR A 54 1.745 -8.384 5.619 1.00 0.00 C ATOM 498 CZ TYR A 54 1.320 -9.059 6.744 1.00 0.00 C ATOM 499 OH TYR A 54 0.058 -9.408 6.863 1.00 0.00 O ATOM 0 H TYR A 54 8.018 -9.462 5.119 1.00 0.00 H new ATOM 0 HA TYR A 54 6.012 -10.306 6.910 1.00 0.00 H new ATOM 0 HB2 TYR A 54 5.817 -7.849 7.332 1.00 0.00 H new ATOM 0 HB3 TYR A 54 5.594 -7.578 5.615 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.146 -9.418 8.494 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.478 -7.547 4.686 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.726 -9.958 8.649 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.057 -8.110 4.833 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.511 -8.718 6.463 1.00 0.00 H new ATOM 506 N GLU A 55 4.369 -10.335 4.704 1.00 0.00 N ATOM 507 CA GLU A 55 3.688 -10.849 3.512 1.00 0.00 C ATOM 508 C GLU A 55 4.122 -10.022 2.285 1.00 0.00 C ATOM 509 O GLU A 55 5.243 -10.123 1.801 1.00 0.00 O ATOM 510 CB GLU A 55 2.172 -10.816 3.763 1.00 0.00 C ATOM 511 CG GLU A 55 1.409 -11.756 2.829 1.00 0.00 C ATOM 512 CD GLU A 55 1.281 -11.247 1.391 1.00 0.00 C ATOM 513 OE1 GLU A 55 2.215 -11.478 0.594 1.00 0.00 O ATOM 514 OE2 GLU A 55 0.313 -10.485 1.172 1.00 0.00 O ATOM 0 H GLU A 55 3.728 -10.100 5.461 1.00 0.00 H new ATOM 0 HA GLU A 55 3.962 -11.884 3.306 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.971 -11.094 4.798 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.806 -9.798 3.629 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.911 -12.723 2.816 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.411 -11.920 3.234 1.00 0.00 H new ATOM 516 N GLU A 56 3.217 -9.208 1.767 1.00 0.00 N ATOM 517 CA GLU A 56 3.485 -8.484 0.528 1.00 0.00 C ATOM 518 C GLU A 56 4.132 -7.172 0.920 1.00 0.00 C ATOM 519 O GLU A 56 3.659 -6.496 1.821 1.00 0.00 O ATOM 520 CB GLU A 56 2.171 -8.249 -0.208 1.00 0.00 C ATOM 521 CG GLU A 56 2.442 -7.943 -1.680 1.00 0.00 C ATOM 522 CD GLU A 56 2.812 -6.475 -1.895 1.00 0.00 C ATOM 523 OE1 GLU A 56 1.879 -5.677 -2.092 1.00 0.00 O ATOM 524 OE2 GLU A 56 4.012 -6.158 -1.872 1.00 0.00 O ATOM 0 H GLU A 56 2.300 -9.031 2.177 1.00 0.00 H new ATOM 0 HA GLU A 56 4.143 -9.043 -0.137 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.535 -9.130 -0.123 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.631 -7.420 0.251 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.251 -8.578 -2.041 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.559 -8.186 -2.271 1.00 0.00 H new ATOM 526 N VAL A 57 5.294 -6.943 0.352 1.00 0.00 N ATOM 527 CA VAL A 57 6.007 -5.675 0.532 1.00 0.00 C ATOM 528 C VAL A 57 6.630 -5.240 -0.803 1.00 0.00 C ATOM 529 O VAL A 57 6.631 -5.984 -1.782 1.00 0.00 O ATOM 530 CB VAL A 57 7.070 -5.956 1.590 1.00 0.00 C ATOM 531 CG1 VAL A 57 7.984 -4.772 1.753 1.00 0.00 C ATOM 532 CG2 VAL A 57 6.482 -6.168 2.976 1.00 0.00 C ATOM 0 H VAL A 57 5.777 -7.615 -0.244 1.00 0.00 H new ATOM 0 HA VAL A 57 5.354 -4.862 0.849 1.00 0.00 H new ATOM 0 HB VAL A 57 7.582 -6.851 1.238 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.734 -4.993 2.512 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.478 -4.561 0.805 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.402 -3.903 2.061 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.285 -6.364 3.686 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.938 -5.274 3.281 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.800 -7.018 2.956 1.00 0.00 H new ATOM 534 N THR A 58 7.172 -4.029 -0.804 1.00 0.00 N ATOM 535 CA THR A 58 7.950 -3.475 -1.924 1.00 0.00 C ATOM 536 C THR A 58 8.374 -2.045 -1.559 1.00 0.00 C ATOM 537 O THR A 58 8.260 -1.685 -0.391 1.00 0.00 O ATOM 538 CB THR A 58 7.044 -3.517 -3.154 1.00 0.00 C ATOM 539 OG1 THR A 58 7.690 -3.018 -4.316 1.00 0.00 O ATOM 540 CG2 THR A 58 5.845 -2.655 -2.873 1.00 0.00 C ATOM 0 H THR A 58 7.086 -3.386 -0.016 1.00 0.00 H new ATOM 0 HA THR A 58 8.858 -4.041 -2.132 1.00 0.00 H new ATOM 0 HB THR A 58 6.771 -4.555 -3.343 1.00 0.00 H new ATOM 0 HG1 THR A 58 8.646 -3.230 -4.275 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.179 -2.666 -3.736 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.316 -3.040 -2.001 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.169 -1.633 -2.678 1.00 0.00 H new ATOM 543 N CYS A 59 8.505 -1.217 -2.593 1.00 0.00 N ATOM 544 CA CYS A 59 8.906 0.188 -2.568 1.00 0.00 C ATOM 545 C CYS A 59 9.006 0.710 -3.984 1.00 0.00 C ATOM 546 O CYS A 59 9.727 0.164 -4.816 1.00 0.00 O ATOM 547 CB CYS A 59 10.300 0.315 -1.986 1.00 0.00 C ATOM 548 SG CYS A 59 10.159 0.250 -0.196 1.00 0.00 S ATOM 0 H CYS A 59 8.319 -1.536 -3.544 1.00 0.00 H new ATOM 0 HA CYS A 59 8.171 0.738 -1.980 1.00 0.00 H new ATOM 0 HB2 CYS A 59 10.939 -0.490 -2.348 1.00 0.00 H new ATOM 0 HB3 CYS A 59 10.760 1.252 -2.299 1.00 0.00 H new ATOM 550 N CYS A 60 8.279 1.788 -4.200 1.00 0.00 N ATOM 551 CA CYS A 60 8.314 2.452 -5.510 1.00 0.00 C ATOM 552 C CYS A 60 8.907 3.822 -5.327 1.00 0.00 C ATOM 553 O CYS A 60 9.716 3.928 -4.415 1.00 0.00 O ATOM 554 CB CYS A 60 6.924 2.493 -6.096 1.00 0.00 C ATOM 555 SG CYS A 60 6.439 0.727 -6.226 1.00 0.00 S ATOM 0 H CYS A 60 7.667 2.223 -3.510 1.00 0.00 H new ATOM 0 HA CYS A 60 8.936 1.903 -6.216 1.00 0.00 H new ATOM 0 HB2 CYS A 60 6.238 3.048 -5.456 1.00 0.00 H new ATOM 0 HB3 CYS A 60 6.917 2.981 -7.071 1.00 0.00 H new ATOM 557 N SER A 61 8.430 4.789 -6.114 1.00 0.00 N ATOM 558 CA SER A 61 8.943 6.173 -6.146 1.00 0.00 C ATOM 559 C SER A 61 8.870 6.794 -7.532 1.00 0.00 C ATOM 560 O SER A 61 9.840 7.310 -8.080 1.00 0.00 O ATOM 561 CB SER A 61 10.402 6.277 -5.700 1.00 0.00 C ATOM 562 OG SER A 61 10.736 7.623 -5.438 1.00 0.00 O ATOM 0 H SER A 61 7.659 4.635 -6.764 1.00 0.00 H new ATOM 0 HA SER A 61 8.295 6.708 -5.452 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.560 5.675 -4.806 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.056 5.876 -6.474 1.00 0.00 H new ATOM 0 HG SER A 61 10.265 7.927 -4.634 1.00 0.00 H new ATOM 565 N THR A 62 7.712 6.662 -8.153 1.00 0.00 N ATOM 566 CA THR A 62 7.564 7.175 -9.528 1.00 0.00 C ATOM 567 C THR A 62 6.191 7.796 -9.691 1.00 0.00 C ATOM 568 O THR A 62 5.567 7.556 -10.713 1.00 0.00 O ATOM 569 CB THR A 62 7.816 6.061 -10.578 1.00 0.00 C ATOM 570 OG1 THR A 62 9.181 5.679 -10.488 1.00 0.00 O ATOM 571 CG2 THR A 62 7.604 6.406 -12.063 1.00 0.00 C ATOM 0 H THR A 62 6.881 6.223 -7.757 1.00 0.00 H new ATOM 0 HA THR A 62 8.317 7.944 -9.701 1.00 0.00 H new ATOM 0 HB THR A 62 7.073 5.304 -10.326 1.00 0.00 H new ATOM 0 HG1 THR A 62 9.367 4.973 -11.142 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.818 5.529 -12.674 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.571 6.715 -12.221 1.00 0.00 H new ATOM 0 HG23 THR A 62 8.273 7.219 -12.347 1.00 0.00 H new ATOM 574 N ASP A 63 5.668 8.442 -8.648 1.00 0.00 N ATOM 575 CA ASP A 63 4.305 9.034 -8.664 1.00 0.00 C ATOM 576 C ASP A 63 3.307 8.142 -7.940 1.00 0.00 C ATOM 577 O ASP A 63 2.391 8.669 -7.324 1.00 0.00 O ATOM 578 CB ASP A 63 3.734 9.264 -10.063 1.00 0.00 C ATOM 579 CG ASP A 63 2.520 10.107 -10.163 1.00 0.00 C ATOM 580 OD1 ASP A 63 2.762 11.320 -10.043 1.00 0.00 O ATOM 581 OD2 ASP A 63 1.445 9.490 -10.307 1.00 0.00 O ATOM 0 H ASP A 63 6.164 8.576 -7.767 1.00 0.00 H new ATOM 0 HA ASP A 63 4.435 9.997 -8.169 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.513 9.717 -10.677 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.508 8.292 -10.501 1.00 0.00 H new ATOM 583 N LYS A 64 3.636 6.866 -7.803 1.00 0.00 N ATOM 584 CA LYS A 64 2.823 5.901 -7.060 1.00 0.00 C ATOM 585 C LYS A 64 3.353 4.515 -7.332 1.00 0.00 C ATOM 586 O LYS A 64 4.357 4.425 -8.035 1.00 0.00 O ATOM 587 CB LYS A 64 1.417 5.975 -7.595 1.00 0.00 C ATOM 588 CG LYS A 64 0.440 5.264 -6.717 1.00 0.00 C ATOM 589 CD LYS A 64 -0.698 5.504 -7.660 1.00 0.00 C ATOM 590 CE LYS A 64 -1.691 4.680 -6.993 1.00 0.00 C ATOM 591 NZ LYS A 64 -3.143 4.536 -7.146 1.00 0.00 N ATOM 0 H LYS A 64 4.482 6.463 -8.206 1.00 0.00 H new ATOM 0 HA LYS A 64 2.851 6.117 -5.992 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.122 7.020 -7.692 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.387 5.541 -8.594 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.670 4.211 -6.554 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.309 5.718 -5.735 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.987 6.553 -7.720 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.485 5.174 -8.677 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.316 3.665 -7.127 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.566 4.929 -5.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.454 3.652 -6.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.621 5.342 -6.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.385 4.512 -8.157 1.00 0.00 H new ATOM 596 N CYS A 65 2.719 3.539 -6.668 1.00 0.00 N ATOM 597 CA CYS A 65 2.916 2.097 -6.857 1.00 0.00 C ATOM 598 C CYS A 65 2.542 1.342 -5.594 1.00 0.00 C ATOM 599 O CYS A 65 3.308 0.628 -4.947 1.00 0.00 O ATOM 600 CB CYS A 65 4.366 1.886 -7.086 1.00 0.00 C ATOM 601 SG CYS A 65 4.985 0.280 -7.570 1.00 0.00 S ATOM 0 H CYS A 65 2.023 3.744 -5.951 1.00 0.00 H new ATOM 0 HA CYS A 65 2.302 1.744 -7.686 1.00 0.00 H new ATOM 0 HB2 CYS A 65 4.677 2.595 -7.853 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.881 2.165 -6.167 1.00 0.00 H new ATOM 603 N ASN A 66 1.357 1.702 -5.164 1.00 0.00 N ATOM 604 CA ASN A 66 0.777 1.038 -4.012 1.00 0.00 C ATOM 605 C ASN A 66 -0.744 1.043 -4.130 1.00 0.00 C ATOM 606 O ASN A 66 -1.434 1.517 -3.257 1.00 0.00 O ATOM 607 CB ASN A 66 1.401 1.779 -2.845 1.00 0.00 C ATOM 608 CG ASN A 66 0.984 3.232 -2.781 1.00 0.00 C ATOM 609 OD1 ASN A 66 0.167 3.809 -2.088 1.00 0.00 O ATOM 610 ND2 ASN A 66 1.603 3.898 -3.672 1.00 0.00 N ATOM 0 H ASN A 66 0.782 2.434 -5.581 1.00 0.00 H new ATOM 0 HA ASN A 66 0.985 -0.026 -3.898 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.121 1.284 -1.915 1.00 0.00 H new ATOM 0 HB3 ASN A 66 2.487 1.721 -2.922 1.00 0.00 H new ATOM 0 HD21 ASN A 66 1.409 4.892 -3.792 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.293 3.437 -4.266 1.00 0.00 H new ATOM 614 N PRO A 67 -1.263 0.552 -5.260 1.00 0.00 N ATOM 615 CA PRO A 67 -2.675 0.448 -5.547 1.00 0.00 C ATOM 616 C PRO A 67 -3.384 -0.483 -4.660 1.00 0.00 C ATOM 617 O PRO A 67 -3.015 -0.567 -3.480 1.00 0.00 O ATOM 618 CB PRO A 67 -2.894 0.554 -7.050 1.00 0.00 C ATOM 619 CG PRO A 67 -1.680 -0.243 -7.463 1.00 0.00 C ATOM 620 CD PRO A 67 -0.579 0.105 -6.465 1.00 0.00 C ATOM 0 HA PRO A 67 -3.280 1.297 -5.229 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -3.833 0.111 -7.381 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -2.880 1.581 -7.416 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.894 -1.312 -7.449 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.377 0.009 -8.479 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.050 -0.761 -6.259 1.00 0.00 H new ATOM 0 HD3 PRO A 67 0.072 0.886 -6.858 1.00 0.00 H new ATOM 621 N HIS A 68 -4.423 -1.010 -5.269 1.00 0.00 N ATOM 622 CA HIS A 68 -5.244 -2.027 -4.629 1.00 0.00 C ATOM 623 C HIS A 68 -6.558 -2.162 -5.363 1.00 0.00 C ATOM 624 O HIS A 68 -7.334 -1.205 -5.464 1.00 0.00 O ATOM 625 CB HIS A 68 -5.559 -1.721 -3.149 1.00 0.00 C ATOM 626 CG HIS A 68 -5.628 -0.260 -3.024 1.00 0.00 C ATOM 627 ND1 HIS A 68 -5.233 1.022 -3.350 1.00 0.00 N ATOM 628 CD2 HIS A 68 -6.644 0.519 -2.579 1.00 0.00 C ATOM 629 CE1 HIS A 68 -5.963 2.103 -2.966 1.00 0.00 C ATOM 630 NE2 HIS A 68 -7.001 1.650 -2.453 1.00 0.00 N ATOM 0 H HIS A 68 -4.724 -0.754 -6.209 1.00 0.00 H new ATOM 0 HA HIS A 68 -4.663 -2.948 -4.667 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -6.502 -2.180 -2.852 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -4.787 -2.129 -2.497 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -7.421 -0.125 -2.195 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -5.696 3.143 -3.083 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -7.841 2.083 -2.069 1.00 0.00 H new ATOM 633 N PRO A 69 -6.743 -3.363 -5.896 1.00 0.00 N ATOM 634 CA PRO A 69 -7.962 -3.703 -6.636 1.00 0.00 C ATOM 635 C PRO A 69 -9.131 -3.852 -5.658 1.00 0.00 C ATOM 636 O PRO A 69 -9.029 -3.419 -4.512 1.00 0.00 O ATOM 637 CB PRO A 69 -7.575 -5.000 -7.345 1.00 0.00 C ATOM 638 CG PRO A 69 -6.564 -5.674 -6.416 1.00 0.00 C ATOM 639 CD PRO A 69 -5.812 -4.510 -5.788 1.00 0.00 C ATOM 0 HA PRO A 69 -8.300 -2.952 -7.350 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -8.446 -5.635 -7.508 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -7.139 -4.800 -8.324 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -7.060 -6.283 -5.661 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -5.893 -6.333 -6.967 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -5.557 -4.717 -4.749 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -4.877 -4.313 -6.312 1.00 0.00 H new ATOM 640 N LYS A 70 -10.196 -4.502 -6.126 1.00 0.00 N ATOM 641 CA LYS A 70 -11.390 -4.803 -5.325 1.00 0.00 C ATOM 642 C LYS A 70 -11.947 -3.490 -4.770 1.00 0.00 C ATOM 643 O LYS A 70 -12.568 -2.728 -5.510 1.00 0.00 O ATOM 644 CB LYS A 70 -11.034 -5.807 -4.223 1.00 0.00 C ATOM 645 CG LYS A 70 -12.314 -6.224 -3.521 1.00 0.00 C ATOM 646 CD LYS A 70 -11.961 -7.023 -2.295 1.00 0.00 C ATOM 647 CE LYS A 70 -13.294 -7.402 -1.695 1.00 0.00 C ATOM 648 NZ LYS A 70 -12.958 -8.028 -0.441 1.00 0.00 N ATOM 0 H LYS A 70 -10.258 -4.841 -7.086 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.165 -5.267 -5.935 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.535 -6.677 -4.650 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.340 -5.359 -3.512 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.895 -5.345 -3.243 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.935 -6.818 -4.192 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -11.376 -7.906 -2.551 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.364 -6.436 -1.597 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.926 -6.526 -1.545 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.843 -8.084 -2.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -13.720 -8.678 -0.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -12.070 -8.560 -0.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -12.840 -7.298 0.291 1.00 0.00 H new ATOM 653 N GLN A 71 -11.593 -3.191 -3.527 1.00 0.00 N ATOM 654 CA GLN A 71 -12.026 -1.938 -2.927 1.00 0.00 C ATOM 655 C GLN A 71 -13.528 -1.975 -2.714 1.00 0.00 C ATOM 656 O GLN A 71 -14.126 -3.047 -2.599 1.00 0.00 O ATOM 657 CB GLN A 71 -11.574 -0.721 -3.741 1.00 0.00 C ATOM 658 CG GLN A 71 -10.064 -0.635 -3.699 1.00 0.00 C ATOM 659 CD GLN A 71 -9.813 -0.069 -2.275 1.00 0.00 C ATOM 660 OE1 GLN A 71 -10.267 0.684 -1.676 1.00 0.00 O ATOM 661 NE2 GLN A 71 -8.588 -0.525 -1.886 1.00 0.00 N ATOM 0 H GLN A 71 -11.020 -3.784 -2.927 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.545 -1.828 -1.955 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.918 -0.808 -4.772 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -12.015 0.189 -3.334 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.596 -1.609 -3.839 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.671 0.022 -4.475 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.116 -1.247 -2.431 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.144 -0.144 -1.050 1.00 0.00 H new ATOM 665 N ARG A 72 -14.062 -0.782 -2.521 1.00 0.00 N ATOM 666 CA ARG A 72 -15.482 -0.601 -2.265 1.00 0.00 C ATOM 667 C ARG A 72 -15.903 0.724 -2.873 1.00 0.00 C ATOM 668 O ARG A 72 -15.394 1.779 -2.481 1.00 0.00 O ATOM 669 CB ARG A 72 -15.801 -0.622 -0.773 1.00 0.00 C ATOM 670 CG ARG A 72 -15.456 -1.988 -0.185 1.00 0.00 C ATOM 671 CD ARG A 72 -15.611 -2.002 1.320 1.00 0.00 C ATOM 672 NE ARG A 72 -14.587 -1.173 1.978 1.00 0.00 N ATOM 673 CZ ARG A 72 -14.558 -0.939 3.284 1.00 0.00 C ATOM 674 NH1 ARG A 72 -15.505 -1.410 4.088 1.00 0.00 N ATOM 675 NH2 ARG A 72 -13.571 -0.222 3.795 1.00 0.00 N ATOM 0 H ARG A 72 -13.527 0.086 -2.537 1.00 0.00 H new ATOM 0 HA ARG A 72 -16.033 -1.427 -2.716 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.236 0.157 -0.261 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -16.858 -0.405 -0.615 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -16.102 -2.748 -0.625 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -14.431 -2.250 -0.448 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -16.603 -1.637 1.588 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -15.540 -3.027 1.684 1.00 0.00 H new ATOM 0 HE ARG A 72 -13.860 -0.755 1.398 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -16.272 -1.962 3.704 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -15.465 -1.219 5.089 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -12.840 0.146 3.186 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -13.541 -0.037 4.798 1.00 0.00 H new ATOM 682 N PRO A 73 -16.852 0.632 -3.805 1.00 0.00 N ATOM 683 CA PRO A 73 -17.421 1.807 -4.482 1.00 0.00 C ATOM 684 C PRO A 73 -18.366 2.600 -3.557 1.00 0.00 C ATOM 685 O PRO A 73 -19.426 3.064 -3.973 1.00 0.00 O ATOM 686 CB PRO A 73 -18.109 1.194 -5.703 1.00 0.00 C ATOM 687 CG PRO A 73 -18.563 -0.190 -5.237 1.00 0.00 C ATOM 688 CD PRO A 73 -17.468 -0.629 -4.273 1.00 0.00 C ATOM 0 HA PRO A 73 -16.683 2.556 -4.768 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -18.955 1.800 -6.027 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -17.425 1.123 -6.549 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -19.535 -0.147 -4.745 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -18.660 -0.882 -6.074 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -17.879 -1.202 -3.441 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -16.736 -1.267 -4.769 1.00 0.00 H new ATOM 689 N GLY A 74 -17.955 2.731 -2.291 1.00 0.00 N ATOM 690 CA GLY A 74 -18.756 3.390 -1.240 1.00 0.00 C ATOM 691 C GLY A 74 -18.355 2.947 0.176 1.00 0.00 C ATOM 692 O GLY A 74 -17.885 3.824 0.930 1.00 0.00 O ATOM 693 OXT GLY A 74 -18.462 1.730 0.438 1.00 99.99 O ATOM 0 H GLY A 74 -17.055 2.383 -1.960 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -18.641 4.471 -1.325 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -19.811 3.169 -1.400 1.00 0.00 H new TER 695 GLY A 74