USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 763 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 55 SER OG : rot -119:sc= 1.09 USER MOD Set 1.2: A 57 THR OG1 : rot 108:sc= -0.0822! USER MOD Set 1.3: A 58 GLN : amide:sc= -1.74! C(o=-0.74!,f=-8.2!) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 168:sc= -0.0109 (180deg=-0.248) USER MOD Single : A 34 ASN : amide:sc= 0.392 K(o=0.39,f=-10!) USER MOD Single : A 36 ASN : amide:sc= -2.88! C(o=-2.9!,f=-7!) USER MOD Single : A 41 MET CE :methyl 159:sc= -0.111 (180deg=-1.21) USER MOD Single : A 43 MET CE :methyl -121:sc= -0.456 (180deg=-0.458) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -164:sc=-0.00483 (180deg=-0.192) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.104) USER MOD Single : A 62 THR OG1 : rot -78:sc= 0.768 USER MOD Single : A 64 THR OG1 : rot 180:sc= -2.62! USER MOD Single : A 70 THR OG1 : rot 180:sc=-0.00247 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -81:sc= -0.635! USER MOD Single : A 84 GLN : amide:sc= -0.436 X(o=-0.44,f=-0.82) USER MOD Single : A 86 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.041) USER MOD Single : A 87 GLN : amide:sc=-0.00517 K(o=-0.0052,f=-1.7!) USER MOD Single : A 88 HIS : no HE2:sc= -4.23! C(o=-4.2!,f=-12!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -159:sc= 1.22 USER MOD Single : A 97 GLN : amide:sc= 0.801 K(o=0.8,f=-0.84) USER MOD Single : A 98 GLN :FLIP amide:sc= 0.648 F(o=-0.17,f=0.65) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.158) USER MOD Single : A 103 ASN : amide:sc= -0.0214 K(o=-0.021,f=-0.66) USER MOD Single : A 106 SER OG : rot 180:sc= -0.567 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= -6.26! C(o=-6.3!,f=-7.5!) USER MOD Single : A 111 HIS : no HD1:sc= -2.71 K(o=-2.7,f=-4.9!) USER MOD Single : A 118 GLN :FLIP amide:sc= -0.0185 F(o=-1.4!,f=-0.018) USER MOD Single : A 122 HIS : no HD1:sc= -0.675 X(o=-0.68,f=-0.62) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.27) USER MOD Single : A 126 ASN : amide:sc= -0.0721 K(o=-0.072,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 31 2.824 24.676 -19.713 1.00 0.00 N ATOM 2 CA MET A 31 1.391 24.269 -19.714 1.00 0.00 C ATOM 3 C MET A 31 0.883 24.212 -18.277 1.00 0.00 C ATOM 4 O MET A 31 0.483 23.155 -17.789 1.00 0.00 O ATOM 5 CB MET A 31 1.255 22.892 -20.371 1.00 0.00 C ATOM 6 CG MET A 31 -0.224 22.588 -20.624 1.00 0.00 C ATOM 7 SD MET A 31 -0.372 20.999 -21.478 1.00 0.00 S ATOM 8 CE MET A 31 -0.310 21.646 -23.166 1.00 0.00 C ATOM 0 HA MET A 31 0.801 24.993 -20.275 1.00 0.00 H new ATOM 0 HB2 MET A 31 1.807 22.870 -21.311 1.00 0.00 H new ATOM 0 HB3 MET A 31 1.689 22.126 -19.728 1.00 0.00 H new ATOM 0 HG2 MET A 31 -0.767 22.558 -19.680 1.00 0.00 H new ATOM 0 HG3 MET A 31 -0.672 23.380 -21.225 1.00 0.00 H new ATOM 0 HE1 MET A 31 -0.387 20.821 -23.875 1.00 0.00 H new ATOM 0 HE2 MET A 31 -1.139 22.336 -23.322 1.00 0.00 H new ATOM 0 HE3 MET A 31 0.633 22.171 -23.320 1.00 0.00 H new ATOM 18 N GLY A 32 0.903 25.358 -17.602 1.00 0.00 N ATOM 19 CA GLY A 32 0.441 25.431 -16.217 1.00 0.00 C ATOM 20 C GLY A 32 1.189 26.514 -15.449 1.00 0.00 C ATOM 21 O GLY A 32 2.356 26.794 -15.728 1.00 0.00 O ATOM 0 H GLY A 32 1.231 26.244 -17.987 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.629 25.639 -16.197 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.588 24.467 -15.730 1.00 0.00 H new ATOM 25 N LYS A 33 0.512 27.117 -14.477 1.00 0.00 N ATOM 26 CA LYS A 33 1.121 28.166 -13.671 1.00 0.00 C ATOM 27 C LYS A 33 2.269 27.605 -12.839 1.00 0.00 C ATOM 28 O LYS A 33 3.282 28.272 -12.632 1.00 0.00 O ATOM 29 CB LYS A 33 0.071 28.788 -12.747 1.00 0.00 C ATOM 30 CG LYS A 33 -0.490 27.715 -11.812 1.00 0.00 C ATOM 31 CD LYS A 33 -1.633 28.306 -10.985 1.00 0.00 C ATOM 32 CE LYS A 33 -2.338 27.187 -10.216 1.00 0.00 C ATOM 33 NZ LYS A 33 -1.385 26.568 -9.251 1.00 0.00 N1+ ATOM 0 H LYS A 33 -0.453 26.898 -14.230 1.00 0.00 H new ATOM 0 HA LYS A 33 1.515 28.931 -14.340 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.516 29.595 -12.165 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.733 29.227 -13.337 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.848 26.864 -12.391 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.296 27.344 -11.154 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.246 29.051 -10.290 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.342 28.816 -11.637 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.202 27.585 -9.685 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.710 26.433 -10.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.907 25.955 -8.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.684 26.001 -9.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.898 27.315 -8.716 1.00 0.00 H new ATOM 47 N ASN A 34 2.102 26.372 -12.363 1.00 0.00 N ATOM 48 CA ASN A 34 3.128 25.718 -11.550 1.00 0.00 C ATOM 49 C ASN A 34 4.010 24.824 -12.416 1.00 0.00 C ATOM 50 O ASN A 34 3.520 23.919 -13.093 1.00 0.00 O ATOM 51 CB ASN A 34 2.469 24.876 -10.453 1.00 0.00 C ATOM 52 CG ASN A 34 3.491 24.542 -9.370 1.00 0.00 C ATOM 53 OD1 ASN A 34 4.695 24.574 -9.624 1.00 0.00 O ATOM 54 ND2 ASN A 34 3.082 24.222 -8.174 1.00 0.00 N ATOM 0 H ASN A 34 1.269 25.807 -12.525 1.00 0.00 H new ATOM 0 HA ASN A 34 3.748 26.490 -11.094 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.631 25.421 -10.019 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.066 23.958 -10.880 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.760 23.997 -7.446 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.084 24.196 -7.966 1.00 0.00 H new ATOM 61 N ASP A 35 5.313 25.084 -12.389 1.00 0.00 N ATOM 62 CA ASP A 35 6.260 24.299 -13.175 1.00 0.00 C ATOM 63 C ASP A 35 6.656 23.033 -12.423 1.00 0.00 C ATOM 64 O ASP A 35 7.551 22.302 -12.845 1.00 0.00 O ATOM 65 CB ASP A 35 7.510 25.132 -13.469 1.00 0.00 C ATOM 66 CG ASP A 35 8.112 25.648 -12.166 1.00 0.00 C ATOM 67 OD1 ASP A 35 7.505 25.430 -11.130 1.00 0.00 O1- ATOM 68 OD2 ASP A 35 9.170 26.252 -12.223 1.00 0.00 O ATOM 0 H ASP A 35 5.736 25.828 -11.835 1.00 0.00 H new ATOM 0 HA ASP A 35 5.782 24.018 -14.113 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.243 24.527 -14.003 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.254 25.970 -14.118 1.00 0.00 H new ATOM 73 N ASN A 36 5.979 22.779 -11.307 1.00 0.00 N ATOM 74 CA ASN A 36 6.266 21.594 -10.504 1.00 0.00 C ATOM 75 C ASN A 36 5.984 20.329 -11.305 1.00 0.00 C ATOM 76 O ASN A 36 6.733 19.356 -11.229 1.00 0.00 O ATOM 77 CB ASN A 36 5.410 21.601 -9.234 1.00 0.00 C ATOM 78 CG ASN A 36 5.703 20.361 -8.391 1.00 0.00 C ATOM 79 OD1 ASN A 36 6.194 19.357 -8.907 1.00 0.00 O ATOM 80 ND2 ASN A 36 5.430 20.372 -7.116 1.00 0.00 N ATOM 0 H ASN A 36 5.234 23.372 -10.940 1.00 0.00 H new ATOM 0 HA ASN A 36 7.320 21.610 -10.228 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.615 22.501 -8.654 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.353 21.627 -9.500 1.00 0.00 H new ATOM 0 HD21 ASN A 36 5.623 19.549 -6.546 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.023 21.204 -6.689 1.00 0.00 H new ATOM 87 N ASP A 37 4.897 20.345 -12.070 1.00 0.00 N ATOM 88 CA ASP A 37 4.528 19.188 -12.878 1.00 0.00 C ATOM 89 C ASP A 37 5.502 19.014 -14.041 1.00 0.00 C ATOM 90 O ASP A 37 5.101 18.657 -15.148 1.00 0.00 O ATOM 91 CB ASP A 37 3.112 19.363 -13.426 1.00 0.00 C ATOM 92 CG ASP A 37 2.671 18.094 -14.149 1.00 0.00 C ATOM 93 OD1 ASP A 37 3.481 17.188 -14.260 1.00 0.00 O1- ATOM 94 OD2 ASP A 37 1.529 18.045 -14.573 1.00 0.00 O ATOM 0 H ASP A 37 4.261 21.139 -12.147 1.00 0.00 H new ATOM 0 HA ASP A 37 4.568 18.301 -12.245 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.423 19.585 -12.611 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.080 20.211 -14.110 1.00 0.00 H new ATOM 99 N ALA A 38 6.786 19.267 -13.782 1.00 0.00 N ATOM 100 CA ALA A 38 7.817 19.132 -14.814 1.00 0.00 C ATOM 101 C ALA A 38 8.660 17.890 -14.561 1.00 0.00 C ATOM 102 O ALA A 38 9.203 17.711 -13.472 1.00 0.00 O ATOM 103 CB ALA A 38 8.720 20.367 -14.809 1.00 0.00 C ATOM 0 H ALA A 38 7.136 19.565 -12.872 1.00 0.00 H new ATOM 0 HA ALA A 38 7.328 19.039 -15.784 1.00 0.00 H new ATOM 0 HB1 ALA A 38 9.485 20.262 -15.578 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.122 21.256 -15.011 1.00 0.00 H new ATOM 0 HB3 ALA A 38 9.197 20.465 -13.834 1.00 0.00 H new ATOM 109 N LEU A 39 8.766 17.032 -15.576 1.00 0.00 N ATOM 110 CA LEU A 39 9.550 15.797 -15.466 1.00 0.00 C ATOM 111 C LEU A 39 10.753 15.855 -16.397 1.00 0.00 C ATOM 112 O LEU A 39 10.645 16.293 -17.542 1.00 0.00 O ATOM 113 CB LEU A 39 8.679 14.579 -15.816 1.00 0.00 C ATOM 114 CG LEU A 39 7.887 14.125 -14.582 1.00 0.00 C ATOM 115 CD1 LEU A 39 7.008 15.273 -14.057 1.00 0.00 C ATOM 116 CD2 LEU A 39 7.015 12.925 -14.960 1.00 0.00 C ATOM 0 H LEU A 39 8.320 17.167 -16.483 1.00 0.00 H new ATOM 0 HA LEU A 39 9.899 15.698 -14.438 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.994 14.833 -16.625 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.307 13.764 -16.175 1.00 0.00 H new ATOM 0 HG LEU A 39 8.582 13.838 -13.793 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.453 14.935 -13.182 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.639 16.118 -13.782 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.308 15.580 -14.834 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.449 12.597 -14.088 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.325 13.212 -15.753 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.649 12.110 -15.309 1.00 0.00 H new ATOM 128 N ILE A 40 11.899 15.413 -15.889 1.00 0.00 N ATOM 129 CA ILE A 40 13.139 15.413 -16.673 1.00 0.00 C ATOM 130 C ILE A 40 13.721 14.011 -16.747 1.00 0.00 C ATOM 131 O ILE A 40 13.822 13.313 -15.738 1.00 0.00 O ATOM 132 CB ILE A 40 14.158 16.359 -16.038 1.00 0.00 C ATOM 133 CG1 ILE A 40 13.561 17.789 -15.955 1.00 0.00 C ATOM 134 CG2 ILE A 40 15.429 16.372 -16.898 1.00 0.00 C ATOM 135 CD1 ILE A 40 12.937 18.013 -14.572 1.00 0.00 C ATOM 0 H ILE A 40 12.000 15.050 -14.941 1.00 0.00 H new ATOM 0 HA ILE A 40 12.910 15.753 -17.683 1.00 0.00 H new ATOM 0 HB ILE A 40 14.402 16.019 -15.031 1.00 0.00 H new ATOM 0 HG12 ILE A 40 14.340 18.529 -16.137 1.00 0.00 H new ATOM 0 HG13 ILE A 40 12.807 17.924 -16.730 1.00 0.00 H new ATOM 0 HG21 ILE A 40 16.162 17.044 -16.453 1.00 0.00 H new ATOM 0 HG22 ILE A 40 15.844 15.365 -16.949 1.00 0.00 H new ATOM 0 HG23 ILE A 40 15.185 16.716 -17.903 1.00 0.00 H new ATOM 0 HD11 ILE A 40 12.520 19.019 -14.520 1.00 0.00 H new ATOM 0 HD12 ILE A 40 12.145 17.282 -14.407 1.00 0.00 H new ATOM 0 HD13 ILE A 40 13.702 17.898 -13.805 1.00 0.00 H new ATOM 147 N MET A 41 14.101 13.606 -17.954 1.00 0.00 N ATOM 148 CA MET A 41 14.676 12.282 -18.162 1.00 0.00 C ATOM 149 C MET A 41 16.167 12.287 -17.857 1.00 0.00 C ATOM 150 O MET A 41 16.894 13.202 -18.247 1.00 0.00 O ATOM 151 CB MET A 41 14.438 11.825 -19.602 1.00 0.00 C ATOM 152 CG MET A 41 15.119 10.472 -19.827 1.00 0.00 C ATOM 153 SD MET A 41 14.415 9.674 -21.292 1.00 0.00 S ATOM 154 CE MET A 41 14.677 11.040 -22.446 1.00 0.00 C ATOM 0 H MET A 41 14.022 14.172 -18.799 1.00 0.00 H new ATOM 0 HA MET A 41 14.187 11.585 -17.481 1.00 0.00 H new ATOM 0 HB2 MET A 41 13.369 11.743 -19.797 1.00 0.00 H new ATOM 0 HB3 MET A 41 14.833 12.564 -20.299 1.00 0.00 H new ATOM 0 HG2 MET A 41 16.192 10.611 -19.956 1.00 0.00 H new ATOM 0 HG3 MET A 41 14.983 9.835 -18.953 1.00 0.00 H new ATOM 0 HE1 MET A 41 14.667 10.660 -23.468 1.00 0.00 H new ATOM 0 HE2 MET A 41 13.882 11.776 -22.325 1.00 0.00 H new ATOM 0 HE3 MET A 41 15.640 11.509 -22.242 1.00 0.00 H new ATOM 164 N CYS A 42 16.609 11.259 -17.148 1.00 0.00 N ATOM 165 CA CYS A 42 18.018 11.142 -16.779 1.00 0.00 C ATOM 166 C CYS A 42 18.883 10.846 -18.002 1.00 0.00 C ATOM 167 O CYS A 42 18.462 10.137 -18.910 1.00 0.00 O ATOM 168 CB CYS A 42 18.197 10.023 -15.760 1.00 0.00 C ATOM 169 SG CYS A 42 19.901 10.023 -15.162 1.00 0.00 S ATOM 0 H CYS A 42 16.019 10.496 -16.817 1.00 0.00 H new ATOM 0 HA CYS A 42 18.332 12.092 -16.348 1.00 0.00 H new ATOM 0 HB2 CYS A 42 17.508 10.161 -14.927 1.00 0.00 H new ATOM 0 HB3 CYS A 42 17.959 9.061 -16.214 1.00 0.00 H new ATOM 174 N MET A 43 20.089 11.406 -18.030 1.00 0.00 N ATOM 175 CA MET A 43 20.989 11.188 -19.161 1.00 0.00 C ATOM 176 C MET A 43 21.702 9.844 -19.029 1.00 0.00 C ATOM 177 O MET A 43 22.427 9.427 -19.934 1.00 0.00 O ATOM 178 CB MET A 43 22.029 12.311 -19.217 1.00 0.00 C ATOM 179 CG MET A 43 22.501 12.651 -17.790 1.00 0.00 C ATOM 180 SD MET A 43 24.252 13.113 -17.818 1.00 0.00 S ATOM 181 CE MET A 43 24.041 14.769 -18.510 1.00 0.00 C ATOM 0 H MET A 43 20.463 12.006 -17.295 1.00 0.00 H new ATOM 0 HA MET A 43 20.399 11.185 -20.078 1.00 0.00 H new ATOM 0 HB2 MET A 43 22.878 12.004 -19.828 1.00 0.00 H new ATOM 0 HB3 MET A 43 21.600 13.195 -19.689 1.00 0.00 H new ATOM 0 HG2 MET A 43 21.906 13.470 -17.385 1.00 0.00 H new ATOM 0 HG3 MET A 43 22.352 11.794 -17.134 1.00 0.00 H new ATOM 0 HE1 MET A 43 24.596 14.846 -19.445 1.00 0.00 H new ATOM 0 HE2 MET A 43 22.983 14.952 -18.700 1.00 0.00 H new ATOM 0 HE3 MET A 43 24.416 15.509 -17.803 1.00 0.00 H new ATOM 191 N ARG A 44 21.500 9.170 -17.894 1.00 0.00 N ATOM 192 CA ARG A 44 22.136 7.870 -17.646 1.00 0.00 C ATOM 193 C ARG A 44 21.089 6.786 -17.425 1.00 0.00 C ATOM 194 O ARG A 44 21.169 5.708 -18.016 1.00 0.00 O ATOM 195 CB ARG A 44 23.037 7.959 -16.412 1.00 0.00 C ATOM 196 CG ARG A 44 24.234 8.859 -16.713 1.00 0.00 C ATOM 197 CD ARG A 44 25.127 8.954 -15.474 1.00 0.00 C ATOM 198 NE ARG A 44 25.716 7.653 -15.179 1.00 0.00 N ATOM 199 CZ ARG A 44 26.465 7.465 -14.098 1.00 0.00 C ATOM 200 NH1 ARG A 44 26.689 8.458 -13.280 1.00 0.00 N ATOM 201 NH2 ARG A 44 26.977 6.290 -13.855 1.00 0.00 N1+ ATOM 0 H ARG A 44 20.904 9.499 -17.134 1.00 0.00 H new ATOM 0 HA ARG A 44 22.731 7.611 -18.522 1.00 0.00 H new ATOM 0 HB2 ARG A 44 22.475 8.356 -15.567 1.00 0.00 H new ATOM 0 HB3 ARG A 44 23.380 6.964 -16.128 1.00 0.00 H new ATOM 0 HG2 ARG A 44 24.801 8.458 -17.553 1.00 0.00 H new ATOM 0 HG3 ARG A 44 23.892 9.852 -17.004 1.00 0.00 H new ATOM 0 HD2 ARG A 44 25.915 9.689 -15.639 1.00 0.00 H new ATOM 0 HD3 ARG A 44 24.543 9.299 -14.621 1.00 0.00 H new ATOM 0 HE ARG A 44 25.550 6.873 -15.815 1.00 0.00 H new ATOM 0 HH11 ARG A 44 26.289 9.377 -13.471 1.00 0.00 H new ATOM 0 HH12 ARG A 44 27.264 8.315 -12.450 1.00 0.00 H new ATOM 0 HH21 ARG A 44 26.802 5.515 -14.495 1.00 0.00 H new ATOM 0 HH22 ARG A 44 27.552 6.146 -13.025 1.00 0.00 H new ATOM 215 N CYS A 45 20.116 7.068 -16.565 1.00 0.00 N ATOM 216 CA CYS A 45 19.066 6.098 -16.270 1.00 0.00 C ATOM 217 C CYS A 45 17.953 6.174 -17.312 1.00 0.00 C ATOM 218 O CYS A 45 17.185 5.229 -17.483 1.00 0.00 O ATOM 219 CB CYS A 45 18.494 6.350 -14.873 1.00 0.00 C ATOM 220 SG CYS A 45 19.854 6.530 -13.687 1.00 0.00 S ATOM 0 H CYS A 45 20.032 7.952 -16.064 1.00 0.00 H new ATOM 0 HA CYS A 45 19.502 5.099 -16.302 1.00 0.00 H new ATOM 0 HB2 CYS A 45 17.879 7.250 -14.877 1.00 0.00 H new ATOM 0 HB3 CYS A 45 17.847 5.523 -14.579 1.00 0.00 H new ATOM 225 N ARG A 46 17.876 7.306 -18.010 1.00 0.00 N ATOM 226 CA ARG A 46 16.857 7.496 -19.038 1.00 0.00 C ATOM 227 C ARG A 46 15.463 7.342 -18.456 1.00 0.00 C ATOM 228 O ARG A 46 14.512 7.033 -19.172 1.00 0.00 O ATOM 229 CB ARG A 46 17.060 6.488 -20.173 1.00 0.00 C ATOM 230 CG ARG A 46 18.481 6.617 -20.742 1.00 0.00 C ATOM 231 CD ARG A 46 18.588 7.859 -21.638 1.00 0.00 C ATOM 232 NE ARG A 46 19.871 7.866 -22.327 1.00 0.00 N ATOM 233 CZ ARG A 46 20.069 7.130 -23.411 1.00 0.00 C ATOM 234 NH1 ARG A 46 19.108 6.373 -23.868 1.00 0.00 N ATOM 235 NH2 ARG A 46 21.222 7.162 -24.019 1.00 0.00 N1+ ATOM 0 H ARG A 46 18.503 8.100 -17.883 1.00 0.00 H new ATOM 0 HA ARG A 46 16.956 8.508 -19.432 1.00 0.00 H new ATOM 0 HB2 ARG A 46 16.898 5.475 -19.804 1.00 0.00 H new ATOM 0 HB3 ARG A 46 16.327 6.662 -20.961 1.00 0.00 H new ATOM 0 HG2 ARG A 46 19.201 6.686 -19.927 1.00 0.00 H new ATOM 0 HG3 ARG A 46 18.733 5.725 -21.315 1.00 0.00 H new ATOM 0 HD2 ARG A 46 17.776 7.865 -22.365 1.00 0.00 H new ATOM 0 HD3 ARG A 46 18.484 8.762 -21.036 1.00 0.00 H new ATOM 0 HE ARG A 46 20.629 8.447 -21.969 1.00 0.00 H new ATOM 0 HH11 ARG A 46 18.207 6.349 -23.391 1.00 0.00 H new ATOM 0 HH12 ARG A 46 19.259 5.806 -24.702 1.00 0.00 H new ATOM 0 HH21 ARG A 46 21.972 7.754 -23.660 1.00 0.00 H new ATOM 0 HH22 ARG A 46 21.374 6.595 -24.853 1.00 0.00 H new ATOM 249 N LYS A 47 15.344 7.572 -17.151 1.00 0.00 N ATOM 250 CA LYS A 47 14.050 7.471 -16.477 1.00 0.00 C ATOM 251 C LYS A 47 13.498 8.854 -16.163 1.00 0.00 C ATOM 252 O LYS A 47 14.217 9.739 -15.703 1.00 0.00 O ATOM 253 CB LYS A 47 14.190 6.672 -15.178 1.00 0.00 C ATOM 254 CG LYS A 47 14.619 5.232 -15.491 1.00 0.00 C ATOM 255 CD LYS A 47 14.281 4.327 -14.304 1.00 0.00 C ATOM 256 CE LYS A 47 15.009 4.816 -13.053 1.00 0.00 C ATOM 257 NZ LYS A 47 14.888 3.794 -11.978 1.00 0.00 N1+ ATOM 0 H LYS A 47 16.121 7.828 -16.542 1.00 0.00 H new ATOM 0 HA LYS A 47 13.359 6.957 -17.146 1.00 0.00 H new ATOM 0 HB2 LYS A 47 14.925 7.146 -14.527 1.00 0.00 H new ATOM 0 HB3 LYS A 47 13.242 6.669 -14.639 1.00 0.00 H new ATOM 0 HG2 LYS A 47 14.111 4.877 -16.388 1.00 0.00 H new ATOM 0 HG3 LYS A 47 15.689 5.197 -15.695 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.205 4.325 -14.132 1.00 0.00 H new ATOM 0 HD3 LYS A 47 14.570 3.300 -14.525 1.00 0.00 H new ATOM 0 HE2 LYS A 47 16.059 4.999 -13.279 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.585 5.763 -12.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.383 4.126 -11.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.884 3.640 -11.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 15.312 2.901 -12.299 1.00 0.00 H new ATOM 271 N VAL A 48 12.209 9.022 -16.420 1.00 0.00 N ATOM 272 CA VAL A 48 11.533 10.295 -16.171 1.00 0.00 C ATOM 273 C VAL A 48 11.308 10.474 -14.676 1.00 0.00 C ATOM 274 O VAL A 48 10.850 9.561 -13.990 1.00 0.00 O ATOM 275 CB VAL A 48 10.180 10.357 -16.937 1.00 0.00 C ATOM 276 CG1 VAL A 48 10.255 11.375 -18.080 1.00 0.00 C ATOM 277 CG2 VAL A 48 9.864 8.981 -17.523 1.00 0.00 C ATOM 0 H VAL A 48 11.606 8.293 -16.802 1.00 0.00 H new ATOM 0 HA VAL A 48 12.164 11.106 -16.534 1.00 0.00 H new ATOM 0 HB VAL A 48 9.400 10.659 -16.239 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.300 11.404 -18.604 1.00 0.00 H new ATOM 0 HG12 VAL A 48 10.477 12.362 -17.674 1.00 0.00 H new ATOM 0 HG13 VAL A 48 11.042 11.084 -18.776 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.916 9.023 -18.060 1.00 0.00 H new ATOM 0 HG22 VAL A 48 10.658 8.687 -18.210 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.792 8.250 -16.717 1.00 0.00 H new ATOM 287 N LYS A 49 11.654 11.655 -14.177 1.00 0.00 N ATOM 288 CA LYS A 49 11.509 11.960 -12.757 1.00 0.00 C ATOM 289 C LYS A 49 11.038 13.394 -12.563 1.00 0.00 C ATOM 290 O LYS A 49 11.412 14.288 -13.322 1.00 0.00 O ATOM 291 CB LYS A 49 12.855 11.765 -12.065 1.00 0.00 C ATOM 292 CG LYS A 49 13.155 10.269 -11.932 1.00 0.00 C ATOM 293 CD LYS A 49 14.603 10.072 -11.487 1.00 0.00 C ATOM 294 CE LYS A 49 14.852 8.589 -11.215 1.00 0.00 C ATOM 295 NZ LYS A 49 14.198 8.203 -9.932 1.00 0.00 N1+ ATOM 0 H LYS A 49 12.037 12.418 -14.735 1.00 0.00 H new ATOM 0 HA LYS A 49 10.766 11.290 -12.324 1.00 0.00 H new ATOM 0 HB2 LYS A 49 13.643 12.254 -12.637 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.839 12.232 -11.080 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.477 9.815 -11.209 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.986 9.768 -12.885 1.00 0.00 H new ATOM 0 HD2 LYS A 49 15.284 10.431 -12.258 1.00 0.00 H new ATOM 0 HD3 LYS A 49 14.802 10.656 -10.589 1.00 0.00 H new ATOM 0 HE2 LYS A 49 14.456 7.987 -12.033 1.00 0.00 H new ATOM 0 HE3 LYS A 49 15.923 8.392 -11.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.581 7.292 -9.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.384 8.932 -9.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.172 8.115 -10.078 1.00 0.00 H new ATOM 309 N GLY A 50 10.215 13.608 -11.542 1.00 0.00 N ATOM 310 CA GLY A 50 9.696 14.940 -11.249 1.00 0.00 C ATOM 311 C GLY A 50 10.516 15.619 -10.162 1.00 0.00 C ATOM 312 O GLY A 50 11.398 15.006 -9.560 1.00 0.00 O ATOM 0 H GLY A 50 9.894 12.879 -10.905 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.712 15.547 -12.154 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.656 14.867 -10.932 1.00 0.00 H new ATOM 316 N ILE A 51 10.224 16.892 -9.918 1.00 0.00 N ATOM 317 CA ILE A 51 10.946 17.651 -8.902 1.00 0.00 C ATOM 318 C ILE A 51 11.136 16.830 -7.625 1.00 0.00 C ATOM 319 O ILE A 51 12.060 17.082 -6.852 1.00 0.00 O ATOM 320 CB ILE A 51 10.187 18.937 -8.570 1.00 0.00 C ATOM 321 CG1 ILE A 51 11.040 19.811 -7.651 1.00 0.00 C ATOM 322 CG2 ILE A 51 8.871 18.595 -7.868 1.00 0.00 C ATOM 323 CD1 ILE A 51 10.390 21.187 -7.505 1.00 0.00 C ATOM 0 H ILE A 51 9.498 17.417 -10.405 1.00 0.00 H new ATOM 0 HA ILE A 51 11.929 17.896 -9.305 1.00 0.00 H new ATOM 0 HB ILE A 51 9.974 19.476 -9.493 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.140 19.339 -6.674 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.045 19.914 -8.060 1.00 0.00 H new ATOM 0 HG21 ILE A 51 8.334 19.514 -7.634 1.00 0.00 H new ATOM 0 HG22 ILE A 51 8.260 17.975 -8.523 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.081 18.052 -6.946 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.999 21.809 -6.849 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.313 21.659 -8.485 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.394 21.075 -7.077 1.00 0.00 H new ATOM 335 N ASP A 52 10.263 15.848 -7.407 1.00 0.00 N ATOM 336 CA ASP A 52 10.358 15.005 -6.223 1.00 0.00 C ATOM 337 C ASP A 52 11.518 14.019 -6.344 1.00 0.00 C ATOM 338 O ASP A 52 12.278 13.816 -5.397 1.00 0.00 O ATOM 339 CB ASP A 52 9.046 14.238 -6.039 1.00 0.00 C ATOM 340 CG ASP A 52 8.736 13.419 -7.290 1.00 0.00 C ATOM 341 OD1 ASP A 52 9.344 13.685 -8.314 1.00 0.00 O1- ATOM 342 OD2 ASP A 52 7.892 12.543 -7.208 1.00 0.00 O ATOM 0 H ASP A 52 9.489 15.620 -8.031 1.00 0.00 H new ATOM 0 HA ASP A 52 10.540 15.642 -5.357 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.119 13.580 -5.173 1.00 0.00 H new ATOM 0 HB3 ASP A 52 8.233 14.936 -5.841 1.00 0.00 H new ATOM 347 N SER A 53 11.647 13.411 -7.522 1.00 0.00 N ATOM 348 CA SER A 53 12.710 12.446 -7.771 1.00 0.00 C ATOM 349 C SER A 53 13.917 13.135 -8.399 1.00 0.00 C ATOM 350 O SER A 53 14.865 12.480 -8.827 1.00 0.00 O ATOM 351 CB SER A 53 12.189 11.314 -8.660 1.00 0.00 C ATOM 352 OG SER A 53 11.570 10.329 -7.844 1.00 0.00 O ATOM 0 H SER A 53 11.028 13.571 -8.317 1.00 0.00 H new ATOM 0 HA SER A 53 13.031 12.014 -6.823 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.475 11.704 -9.386 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.009 10.872 -9.226 1.00 0.00 H new ATOM 0 HG SER A 53 11.233 9.602 -8.408 1.00 0.00 H new ATOM 358 N TYR A 54 13.874 14.470 -8.444 1.00 0.00 N ATOM 359 CA TYR A 54 14.972 15.258 -9.015 1.00 0.00 C ATOM 360 C TYR A 54 15.482 16.278 -8.004 1.00 0.00 C ATOM 361 O TYR A 54 14.703 17.007 -7.391 1.00 0.00 O ATOM 362 CB TYR A 54 14.482 15.975 -10.304 1.00 0.00 C ATOM 363 CG TYR A 54 15.215 15.440 -11.515 1.00 0.00 C ATOM 364 CD1 TYR A 54 15.279 14.062 -11.729 1.00 0.00 C ATOM 365 CD2 TYR A 54 15.826 16.318 -12.415 1.00 0.00 C ATOM 366 CE1 TYR A 54 15.956 13.558 -12.841 1.00 0.00 C ATOM 367 CE2 TYR A 54 16.504 15.812 -13.528 1.00 0.00 C ATOM 368 CZ TYR A 54 16.570 14.432 -13.741 1.00 0.00 C ATOM 369 OH TYR A 54 17.242 13.933 -14.836 1.00 0.00 O ATOM 0 H TYR A 54 13.094 15.026 -8.094 1.00 0.00 H new ATOM 0 HA TYR A 54 15.794 14.588 -9.267 1.00 0.00 H new ATOM 0 HB2 TYR A 54 13.409 15.826 -10.425 1.00 0.00 H new ATOM 0 HB3 TYR A 54 14.647 17.049 -10.216 1.00 0.00 H new ATOM 0 HD1 TYR A 54 14.804 13.385 -11.034 1.00 0.00 H new ATOM 0 HD2 TYR A 54 15.774 17.384 -12.251 1.00 0.00 H new ATOM 0 HE1 TYR A 54 16.005 12.492 -13.005 1.00 0.00 H new ATOM 0 HE2 TYR A 54 16.977 16.488 -14.224 1.00 0.00 H new ATOM 0 HH TYR A 54 17.610 14.675 -15.360 1.00 0.00 H new ATOM 379 N SER A 55 16.799 16.323 -7.844 1.00 0.00 N ATOM 380 CA SER A 55 17.412 17.254 -6.914 1.00 0.00 C ATOM 381 C SER A 55 17.008 18.680 -7.260 1.00 0.00 C ATOM 382 O SER A 55 16.851 19.028 -8.431 1.00 0.00 O ATOM 383 CB SER A 55 18.933 17.122 -6.984 1.00 0.00 C ATOM 384 OG SER A 55 19.529 18.106 -6.150 1.00 0.00 O ATOM 0 H SER A 55 17.458 15.727 -8.345 1.00 0.00 H new ATOM 0 HA SER A 55 17.072 17.023 -5.904 1.00 0.00 H new ATOM 0 HB2 SER A 55 19.238 16.125 -6.665 1.00 0.00 H new ATOM 0 HB3 SER A 55 19.273 17.246 -8.012 1.00 0.00 H new ATOM 0 HG SER A 55 20.092 18.697 -6.692 1.00 0.00 H new ATOM 390 N LYS A 56 16.834 19.500 -6.232 1.00 0.00 N ATOM 391 CA LYS A 56 16.441 20.886 -6.431 1.00 0.00 C ATOM 392 C LYS A 56 17.501 21.636 -7.229 1.00 0.00 C ATOM 393 O LYS A 56 17.179 22.451 -8.094 1.00 0.00 O ATOM 394 CB LYS A 56 16.242 21.570 -5.078 1.00 0.00 C ATOM 395 CG LYS A 56 15.022 20.968 -4.375 1.00 0.00 C ATOM 396 CD LYS A 56 14.835 21.641 -3.013 1.00 0.00 C ATOM 397 CE LYS A 56 13.601 21.061 -2.322 1.00 0.00 C ATOM 398 NZ LYS A 56 13.411 21.727 -1.002 1.00 0.00 N1+ ATOM 0 H LYS A 56 16.958 19.230 -5.256 1.00 0.00 H new ATOM 0 HA LYS A 56 15.505 20.901 -6.989 1.00 0.00 H new ATOM 0 HB2 LYS A 56 17.131 21.442 -4.460 1.00 0.00 H new ATOM 0 HB3 LYS A 56 16.102 22.642 -5.218 1.00 0.00 H new ATOM 0 HG2 LYS A 56 14.131 21.107 -4.987 1.00 0.00 H new ATOM 0 HG3 LYS A 56 15.156 19.894 -4.247 1.00 0.00 H new ATOM 0 HD2 LYS A 56 15.718 21.485 -2.394 1.00 0.00 H new ATOM 0 HD3 LYS A 56 14.721 22.718 -3.140 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.719 21.208 -2.946 1.00 0.00 H new ATOM 0 HE3 LYS A 56 13.719 19.986 -2.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.571 21.332 -0.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.249 21.565 -0.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 13.280 22.749 -1.144 1.00 0.00 H new ATOM 412 N THR A 57 18.766 21.362 -6.930 1.00 0.00 N ATOM 413 CA THR A 57 19.862 22.028 -7.624 1.00 0.00 C ATOM 414 C THR A 57 19.784 21.768 -9.126 1.00 0.00 C ATOM 415 O THR A 57 19.824 22.703 -9.927 1.00 0.00 O ATOM 416 CB THR A 57 21.201 21.509 -7.093 1.00 0.00 C ATOM 417 OG1 THR A 57 21.194 20.089 -7.108 1.00 0.00 O ATOM 418 CG2 THR A 57 21.411 22.004 -5.660 1.00 0.00 C ATOM 0 H THR A 57 19.056 20.690 -6.219 1.00 0.00 H new ATOM 0 HA THR A 57 19.782 23.100 -7.445 1.00 0.00 H new ATOM 0 HB THR A 57 22.010 21.877 -7.724 1.00 0.00 H new ATOM 0 HG1 THR A 57 21.785 19.766 -7.820 1.00 0.00 H new ATOM 0 HG21 THR A 57 22.364 21.634 -5.283 1.00 0.00 H new ATOM 0 HG22 THR A 57 21.415 23.094 -5.648 1.00 0.00 H new ATOM 0 HG23 THR A 57 20.603 21.637 -5.026 1.00 0.00 H new ATOM 426 N GLN A 58 19.669 20.500 -9.502 1.00 0.00 N ATOM 427 CA GLN A 58 19.583 20.135 -10.913 1.00 0.00 C ATOM 428 C GLN A 58 18.272 20.640 -11.511 1.00 0.00 C ATOM 429 O GLN A 58 18.241 21.135 -12.635 1.00 0.00 O ATOM 430 CB GLN A 58 19.676 18.607 -11.065 1.00 0.00 C ATOM 431 CG GLN A 58 21.145 18.175 -11.074 1.00 0.00 C ATOM 432 CD GLN A 58 21.817 18.591 -9.772 1.00 0.00 C ATOM 433 OE1 GLN A 58 21.295 18.326 -8.690 1.00 0.00 O ATOM 434 NE2 GLN A 58 22.951 19.240 -9.812 1.00 0.00 N ATOM 0 H GLN A 58 19.633 19.712 -8.856 1.00 0.00 H new ATOM 0 HA GLN A 58 20.413 20.598 -11.447 1.00 0.00 H new ATOM 0 HB2 GLN A 58 19.149 18.118 -10.246 1.00 0.00 H new ATOM 0 HB3 GLN A 58 19.190 18.294 -11.989 1.00 0.00 H new ATOM 0 HG2 GLN A 58 21.214 17.095 -11.200 1.00 0.00 H new ATOM 0 HG3 GLN A 58 21.661 18.628 -11.920 1.00 0.00 H new ATOM 0 HE21 GLN A 58 23.382 19.459 -10.710 1.00 0.00 H new ATOM 0 HE22 GLN A 58 23.405 19.528 -8.945 1.00 0.00 H new ATOM 443 N TRP A 59 17.192 20.510 -10.750 1.00 0.00 N ATOM 444 CA TRP A 59 15.882 20.955 -11.211 1.00 0.00 C ATOM 445 C TRP A 59 15.909 22.440 -11.550 1.00 0.00 C ATOM 446 O TRP A 59 15.286 22.879 -12.514 1.00 0.00 O ATOM 447 CB TRP A 59 14.828 20.692 -10.135 1.00 0.00 C ATOM 448 CG TRP A 59 13.474 21.037 -10.672 1.00 0.00 C ATOM 449 CD1 TRP A 59 12.845 20.375 -11.671 1.00 0.00 C ATOM 450 CD2 TRP A 59 12.573 22.103 -10.257 1.00 0.00 C ATOM 451 NE1 TRP A 59 11.616 20.971 -11.900 1.00 0.00 N ATOM 452 CE2 TRP A 59 11.403 22.040 -11.051 1.00 0.00 C ATOM 453 CE3 TRP A 59 12.658 23.111 -9.278 1.00 0.00 C ATOM 454 CZ2 TRP A 59 10.355 22.945 -10.881 1.00 0.00 C ATOM 455 CZ3 TRP A 59 11.604 24.021 -9.105 1.00 0.00 C ATOM 456 CH2 TRP A 59 10.455 23.938 -9.904 1.00 0.00 C ATOM 0 H TRP A 59 17.197 20.102 -9.815 1.00 0.00 H new ATOM 0 HA TRP A 59 15.626 20.394 -12.110 1.00 0.00 H new ATOM 0 HB2 TRP A 59 14.855 19.645 -9.831 1.00 0.00 H new ATOM 0 HB3 TRP A 59 15.042 21.287 -9.247 1.00 0.00 H new ATOM 0 HD1 TRP A 59 13.238 19.521 -12.203 1.00 0.00 H new ATOM 0 HE1 TRP A 59 10.951 20.659 -12.608 1.00 0.00 H new ATOM 0 HE3 TRP A 59 13.539 23.184 -8.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 9.473 22.878 -11.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 11.678 24.791 -8.351 1.00 0.00 H new ATOM 0 HH2 TRP A 59 9.648 24.642 -9.764 1.00 0.00 H new ATOM 467 N SER A 60 16.632 23.213 -10.750 1.00 0.00 N ATOM 468 CA SER A 60 16.724 24.649 -10.980 1.00 0.00 C ATOM 469 C SER A 60 17.391 24.942 -12.323 1.00 0.00 C ATOM 470 O SER A 60 17.212 26.019 -12.890 1.00 0.00 O ATOM 471 CB SER A 60 17.531 25.303 -9.859 1.00 0.00 C ATOM 472 OG SER A 60 17.567 26.709 -10.066 1.00 0.00 O ATOM 0 H SER A 60 17.158 22.875 -9.944 1.00 0.00 H new ATOM 0 HA SER A 60 15.714 25.059 -10.994 1.00 0.00 H new ATOM 0 HB2 SER A 60 17.081 25.077 -8.892 1.00 0.00 H new ATOM 0 HB3 SER A 60 18.544 24.900 -9.841 1.00 0.00 H new ATOM 0 HG SER A 60 18.083 27.132 -9.348 1.00 0.00 H new ATOM 478 N LYS A 61 18.161 23.979 -12.825 1.00 0.00 N ATOM 479 CA LYS A 61 18.852 24.150 -14.100 1.00 0.00 C ATOM 480 C LYS A 61 17.930 23.797 -15.261 1.00 0.00 C ATOM 481 O LYS A 61 18.157 24.211 -16.396 1.00 0.00 O ATOM 482 CB LYS A 61 20.087 23.252 -14.145 1.00 0.00 C ATOM 483 CG LYS A 61 21.044 23.651 -13.023 1.00 0.00 C ATOM 484 CD LYS A 61 22.256 22.721 -13.035 1.00 0.00 C ATOM 485 CE LYS A 61 23.113 22.989 -11.798 1.00 0.00 C ATOM 486 NZ LYS A 61 23.749 24.333 -11.905 1.00 0.00 N1+ ATOM 0 H LYS A 61 18.321 23.079 -12.372 1.00 0.00 H new ATOM 0 HA LYS A 61 19.153 25.194 -14.191 1.00 0.00 H new ATOM 0 HB2 LYS A 61 19.795 22.208 -14.035 1.00 0.00 H new ATOM 0 HB3 LYS A 61 20.583 23.345 -15.111 1.00 0.00 H new ATOM 0 HG2 LYS A 61 21.364 24.685 -13.153 1.00 0.00 H new ATOM 0 HG3 LYS A 61 20.537 23.593 -12.060 1.00 0.00 H new ATOM 0 HD2 LYS A 61 21.930 21.681 -13.047 1.00 0.00 H new ATOM 0 HD3 LYS A 61 22.843 22.882 -13.939 1.00 0.00 H new ATOM 0 HE2 LYS A 61 22.497 22.939 -10.900 1.00 0.00 H new ATOM 0 HE3 LYS A 61 23.880 22.220 -11.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 24.446 24.449 -11.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 24.225 24.419 -12.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 23.020 25.070 -11.822 1.00 0.00 H new ATOM 500 N THR A 62 16.895 23.017 -14.970 1.00 0.00 N ATOM 501 CA THR A 62 15.948 22.598 -16.004 1.00 0.00 C ATOM 502 C THR A 62 15.157 23.794 -16.525 1.00 0.00 C ATOM 503 O THR A 62 14.337 23.657 -17.432 1.00 0.00 O ATOM 504 CB THR A 62 14.982 21.551 -15.447 1.00 0.00 C ATOM 505 OG1 THR A 62 14.177 22.138 -14.436 1.00 0.00 O ATOM 506 CG2 THR A 62 15.774 20.385 -14.858 1.00 0.00 C ATOM 0 H THR A 62 16.689 22.663 -14.036 1.00 0.00 H new ATOM 0 HA THR A 62 16.515 22.163 -16.827 1.00 0.00 H new ATOM 0 HB THR A 62 14.344 21.184 -16.251 1.00 0.00 H new ATOM 0 HG1 THR A 62 14.692 22.204 -13.605 1.00 0.00 H new ATOM 0 HG21 THR A 62 15.084 19.640 -14.462 1.00 0.00 H new ATOM 0 HG22 THR A 62 16.389 19.933 -15.636 1.00 0.00 H new ATOM 0 HG23 THR A 62 16.415 20.749 -14.055 1.00 0.00 H new ATOM 514 N PHE A 63 15.415 24.965 -15.952 1.00 0.00 N ATOM 515 CA PHE A 63 14.731 26.182 -16.366 1.00 0.00 C ATOM 516 C PHE A 63 15.522 27.404 -15.912 1.00 0.00 C ATOM 517 O PHE A 63 16.429 27.295 -15.088 1.00 0.00 O ATOM 518 CB PHE A 63 13.324 26.227 -15.770 1.00 0.00 C ATOM 519 CG PHE A 63 13.416 26.297 -14.266 1.00 0.00 C ATOM 520 CD1 PHE A 63 13.629 27.528 -13.636 1.00 0.00 C ATOM 521 CD2 PHE A 63 13.281 25.134 -13.501 1.00 0.00 C ATOM 522 CE1 PHE A 63 13.709 27.596 -12.240 1.00 0.00 C ATOM 523 CE2 PHE A 63 13.361 25.200 -12.107 1.00 0.00 C ATOM 524 CZ PHE A 63 13.575 26.433 -11.475 1.00 0.00 C ATOM 0 H PHE A 63 16.092 25.096 -15.201 1.00 0.00 H new ATOM 0 HA PHE A 63 14.655 26.188 -17.453 1.00 0.00 H new ATOM 0 HB2 PHE A 63 12.783 27.093 -16.152 1.00 0.00 H new ATOM 0 HB3 PHE A 63 12.762 25.342 -16.070 1.00 0.00 H new ATOM 0 HD1 PHE A 63 13.732 28.426 -14.227 1.00 0.00 H new ATOM 0 HD2 PHE A 63 13.115 24.184 -13.988 1.00 0.00 H new ATOM 0 HE1 PHE A 63 13.874 28.546 -11.754 1.00 0.00 H new ATOM 0 HE2 PHE A 63 13.258 24.301 -11.517 1.00 0.00 H new ATOM 0 HZ PHE A 63 13.636 26.485 -10.398 1.00 0.00 H new ATOM 534 N THR A 64 15.171 28.569 -16.452 1.00 0.00 N ATOM 535 CA THR A 64 15.853 29.816 -16.096 1.00 0.00 C ATOM 536 C THR A 64 14.827 30.906 -15.832 1.00 0.00 C ATOM 537 O THR A 64 13.639 30.729 -16.102 1.00 0.00 O ATOM 538 CB THR A 64 16.791 30.258 -17.232 1.00 0.00 C ATOM 539 OG1 THR A 64 16.091 31.109 -18.127 1.00 0.00 O ATOM 540 CG2 THR A 64 17.285 29.028 -17.992 1.00 0.00 C ATOM 0 H THR A 64 14.422 28.678 -17.135 1.00 0.00 H new ATOM 0 HA THR A 64 16.444 29.645 -15.196 1.00 0.00 H new ATOM 0 HB THR A 64 17.640 30.795 -16.808 1.00 0.00 H new ATOM 0 HG1 THR A 64 16.692 31.390 -18.848 1.00 0.00 H new ATOM 0 HG21 THR A 64 17.950 29.341 -18.797 1.00 0.00 H new ATOM 0 HG22 THR A 64 17.825 28.371 -17.310 1.00 0.00 H new ATOM 0 HG23 THR A 64 16.433 28.493 -18.412 1.00 0.00 H new ATOM 548 N PHE A 65 15.286 32.030 -15.292 1.00 0.00 N ATOM 549 CA PHE A 65 14.397 33.151 -14.982 1.00 0.00 C ATOM 550 C PHE A 65 14.666 34.320 -15.924 1.00 0.00 C ATOM 551 O PHE A 65 15.811 34.733 -16.106 1.00 0.00 O ATOM 552 CB PHE A 65 14.610 33.583 -13.511 1.00 0.00 C ATOM 553 CG PHE A 65 13.278 33.691 -12.796 1.00 0.00 C ATOM 554 CD1 PHE A 65 12.452 32.567 -12.701 1.00 0.00 C ATOM 555 CD2 PHE A 65 12.867 34.912 -12.242 1.00 0.00 C ATOM 556 CE1 PHE A 65 11.217 32.657 -12.055 1.00 0.00 C ATOM 557 CE2 PHE A 65 11.630 35.001 -11.592 1.00 0.00 C ATOM 558 CZ PHE A 65 10.805 33.873 -11.500 1.00 0.00 C ATOM 0 H PHE A 65 16.266 32.192 -15.059 1.00 0.00 H new ATOM 0 HA PHE A 65 13.362 32.837 -15.118 1.00 0.00 H new ATOM 0 HB2 PHE A 65 15.247 32.860 -13.001 1.00 0.00 H new ATOM 0 HB3 PHE A 65 15.127 34.542 -13.478 1.00 0.00 H new ATOM 0 HD1 PHE A 65 12.770 31.627 -13.128 1.00 0.00 H new ATOM 0 HD2 PHE A 65 13.503 35.782 -12.317 1.00 0.00 H new ATOM 0 HE1 PHE A 65 10.580 31.788 -11.984 1.00 0.00 H new ATOM 0 HE2 PHE A 65 11.312 35.939 -11.162 1.00 0.00 H new ATOM 0 HZ PHE A 65 9.850 33.942 -11.000 1.00 0.00 H new ATOM 568 N VAL A 66 13.599 34.854 -16.510 1.00 0.00 N ATOM 569 CA VAL A 66 13.719 35.986 -17.426 1.00 0.00 C ATOM 570 C VAL A 66 12.568 36.964 -17.215 1.00 0.00 C ATOM 571 O VAL A 66 11.420 36.557 -17.054 1.00 0.00 O ATOM 572 CB VAL A 66 13.727 35.489 -18.873 1.00 0.00 C ATOM 573 CG1 VAL A 66 12.311 35.085 -19.292 1.00 0.00 C ATOM 574 CG2 VAL A 66 14.230 36.603 -19.790 1.00 0.00 C ATOM 0 H VAL A 66 12.644 34.524 -16.369 1.00 0.00 H new ATOM 0 HA VAL A 66 14.657 36.503 -17.222 1.00 0.00 H new ATOM 0 HB VAL A 66 14.385 34.624 -18.952 1.00 0.00 H new ATOM 0 HG11 VAL A 66 12.323 34.732 -20.323 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.952 34.289 -18.640 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.648 35.946 -19.211 1.00 0.00 H new ATOM 0 HG21 VAL A 66 14.236 36.250 -20.821 1.00 0.00 H new ATOM 0 HG22 VAL A 66 13.572 37.468 -19.706 1.00 0.00 H new ATOM 0 HG23 VAL A 66 15.241 36.886 -19.497 1.00 0.00 H new ATOM 584 N ARG A 67 12.878 38.253 -17.226 1.00 0.00 N ATOM 585 CA ARG A 67 11.852 39.272 -17.038 1.00 0.00 C ATOM 586 C ARG A 67 10.901 38.886 -15.908 1.00 0.00 C ATOM 587 O ARG A 67 9.777 39.382 -15.837 1.00 0.00 O ATOM 588 CB ARG A 67 11.060 39.461 -18.336 1.00 0.00 C ATOM 589 CG ARG A 67 11.907 40.230 -19.351 1.00 0.00 C ATOM 590 CD ARG A 67 11.124 40.388 -20.654 1.00 0.00 C ATOM 591 NE ARG A 67 11.896 41.172 -21.612 1.00 0.00 N ATOM 592 CZ ARG A 67 11.860 42.502 -21.596 1.00 0.00 C ATOM 593 NH1 ARG A 67 11.127 43.124 -20.712 1.00 0.00 N ATOM 594 NH2 ARG A 67 12.556 43.186 -22.462 1.00 0.00 N1+ ATOM 0 H ARG A 67 13.821 38.617 -17.362 1.00 0.00 H new ATOM 0 HA ARG A 67 12.345 40.207 -16.772 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.777 38.491 -18.745 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.136 40.003 -18.134 1.00 0.00 H new ATOM 0 HG2 ARG A 67 12.171 41.209 -18.952 1.00 0.00 H new ATOM 0 HG3 ARG A 67 12.841 39.699 -19.538 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.899 39.407 -21.073 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.170 40.877 -20.457 1.00 0.00 H new ATOM 0 HE ARG A 67 12.472 40.693 -22.304 1.00 0.00 H new ATOM 0 HH11 ARG A 67 10.583 42.590 -20.034 1.00 0.00 H new ATOM 0 HH12 ARG A 67 11.099 44.144 -20.699 1.00 0.00 H new ATOM 0 HH21 ARG A 67 13.129 42.701 -23.153 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.527 44.206 -22.448 1.00 0.00 H new ATOM 608 N GLY A 68 11.362 38.006 -15.027 1.00 0.00 N ATOM 609 CA GLY A 68 10.544 37.567 -13.902 1.00 0.00 C ATOM 610 C GLY A 68 9.585 36.459 -14.319 1.00 0.00 C ATOM 611 O GLY A 68 8.498 36.324 -13.755 1.00 0.00 O ATOM 0 H GLY A 68 12.290 37.585 -15.068 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.188 37.211 -13.098 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.979 38.412 -13.508 1.00 0.00 H new ATOM 615 N ARG A 69 9.992 35.663 -15.306 1.00 0.00 N ATOM 616 CA ARG A 69 9.160 34.560 -15.794 1.00 0.00 C ATOM 617 C ARG A 69 9.992 33.295 -15.966 1.00 0.00 C ATOM 618 O ARG A 69 11.077 33.325 -16.549 1.00 0.00 O ATOM 619 CB ARG A 69 8.528 34.939 -17.133 1.00 0.00 C ATOM 620 CG ARG A 69 7.516 36.065 -16.918 1.00 0.00 C ATOM 621 CD ARG A 69 6.865 36.421 -18.253 1.00 0.00 C ATOM 622 NE ARG A 69 7.834 37.060 -19.137 1.00 0.00 N ATOM 623 CZ ARG A 69 7.534 37.330 -20.404 1.00 0.00 C ATOM 624 NH1 ARG A 69 6.359 37.019 -20.877 1.00 0.00 N ATOM 625 NH2 ARG A 69 8.417 37.906 -21.175 1.00 0.00 N1+ ATOM 0 H ARG A 69 10.888 35.759 -15.783 1.00 0.00 H new ATOM 0 HA ARG A 69 8.377 34.369 -15.060 1.00 0.00 H new ATOM 0 HB2 ARG A 69 9.299 35.258 -17.834 1.00 0.00 H new ATOM 0 HB3 ARG A 69 8.036 34.072 -17.573 1.00 0.00 H new ATOM 0 HG2 ARG A 69 6.756 35.754 -16.201 1.00 0.00 H new ATOM 0 HG3 ARG A 69 8.012 36.940 -16.498 1.00 0.00 H new ATOM 0 HD2 ARG A 69 6.472 35.520 -18.725 1.00 0.00 H new ATOM 0 HD3 ARG A 69 6.020 37.089 -18.086 1.00 0.00 H new ATOM 0 HE ARG A 69 8.757 37.304 -18.777 1.00 0.00 H new ATOM 0 HH11 ARG A 69 5.670 36.569 -20.275 1.00 0.00 H new ATOM 0 HH12 ARG A 69 6.129 37.226 -21.849 1.00 0.00 H new ATOM 0 HH21 ARG A 69 9.336 38.148 -20.805 1.00 0.00 H new ATOM 0 HH22 ARG A 69 8.187 38.113 -22.147 1.00 0.00 H new ATOM 639 N THR A 70 9.474 32.184 -15.456 1.00 0.00 N ATOM 640 CA THR A 70 10.174 30.907 -15.555 1.00 0.00 C ATOM 641 C THR A 70 10.210 30.430 -17.001 1.00 0.00 C ATOM 642 O THR A 70 9.192 30.446 -17.694 1.00 0.00 O ATOM 643 CB THR A 70 9.475 29.856 -14.690 1.00 0.00 C ATOM 644 OG1 THR A 70 9.271 30.378 -13.384 1.00 0.00 O ATOM 645 CG2 THR A 70 10.345 28.601 -14.609 1.00 0.00 C ATOM 0 H THR A 70 8.577 32.140 -14.972 1.00 0.00 H new ATOM 0 HA THR A 70 11.195 31.047 -15.201 1.00 0.00 H new ATOM 0 HB THR A 70 8.513 29.601 -15.134 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.822 29.706 -12.830 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.847 27.852 -13.993 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.501 28.201 -15.611 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.308 28.854 -14.165 1.00 0.00 H new ATOM 653 N VAL A 71 11.388 30.011 -17.457 1.00 0.00 N ATOM 654 CA VAL A 71 11.552 29.530 -18.832 1.00 0.00 C ATOM 655 C VAL A 71 12.328 28.216 -18.862 1.00 0.00 C ATOM 656 O VAL A 71 13.354 28.069 -18.204 1.00 0.00 O ATOM 657 CB VAL A 71 12.291 30.587 -19.663 1.00 0.00 C ATOM 658 CG1 VAL A 71 11.358 31.762 -19.968 1.00 0.00 C ATOM 659 CG2 VAL A 71 13.507 31.101 -18.873 1.00 0.00 C ATOM 0 H VAL A 71 12.242 29.994 -16.899 1.00 0.00 H new ATOM 0 HA VAL A 71 10.563 29.354 -19.256 1.00 0.00 H new ATOM 0 HB VAL A 71 12.620 30.136 -20.599 1.00 0.00 H new ATOM 0 HG11 VAL A 71 11.892 32.507 -20.558 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.495 31.405 -20.529 1.00 0.00 H new ATOM 0 HG13 VAL A 71 11.022 32.212 -19.034 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.033 31.852 -19.462 1.00 0.00 H new ATOM 0 HG22 VAL A 71 13.171 31.545 -17.936 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.180 30.270 -18.660 1.00 0.00 H new ATOM 669 N SER A 72 11.828 27.260 -19.631 1.00 0.00 N ATOM 670 CA SER A 72 12.488 25.963 -19.740 1.00 0.00 C ATOM 671 C SER A 72 13.705 26.057 -20.657 1.00 0.00 C ATOM 672 O SER A 72 13.672 26.744 -21.677 1.00 0.00 O ATOM 673 CB SER A 72 11.509 24.927 -20.283 1.00 0.00 C ATOM 674 OG SER A 72 10.270 25.052 -19.597 1.00 0.00 O ATOM 0 H SER A 72 10.976 27.354 -20.184 1.00 0.00 H new ATOM 0 HA SER A 72 12.822 25.658 -18.748 1.00 0.00 H new ATOM 0 HB2 SER A 72 11.362 25.073 -21.353 1.00 0.00 H new ATOM 0 HB3 SER A 72 11.912 23.923 -20.151 1.00 0.00 H new ATOM 0 HG SER A 72 9.636 24.390 -19.943 1.00 0.00 H new ATOM 680 N VAL A 73 14.775 25.357 -20.288 1.00 0.00 N ATOM 681 CA VAL A 73 15.993 25.368 -21.092 1.00 0.00 C ATOM 682 C VAL A 73 15.773 24.615 -22.403 1.00 0.00 C ATOM 683 O VAL A 73 14.900 23.751 -22.492 1.00 0.00 O ATOM 684 CB VAL A 73 17.145 24.728 -20.321 1.00 0.00 C ATOM 685 CG1 VAL A 73 18.446 24.903 -21.105 1.00 0.00 C ATOM 686 CG2 VAL A 73 17.285 25.409 -18.958 1.00 0.00 C ATOM 0 H VAL A 73 14.824 24.781 -19.447 1.00 0.00 H new ATOM 0 HA VAL A 73 16.246 26.405 -21.315 1.00 0.00 H new ATOM 0 HB VAL A 73 16.941 23.666 -20.183 1.00 0.00 H new ATOM 0 HG11 VAL A 73 19.267 24.446 -20.553 1.00 0.00 H new ATOM 0 HG12 VAL A 73 18.351 24.423 -22.079 1.00 0.00 H new ATOM 0 HG13 VAL A 73 18.648 25.965 -21.242 1.00 0.00 H new ATOM 0 HG21 VAL A 73 18.107 24.953 -18.406 1.00 0.00 H new ATOM 0 HG22 VAL A 73 17.488 26.470 -19.101 1.00 0.00 H new ATOM 0 HG23 VAL A 73 16.360 25.289 -18.395 1.00 0.00 H new ATOM 696 N SER A 74 16.571 24.941 -23.417 1.00 0.00 N ATOM 697 CA SER A 74 16.454 24.279 -24.713 1.00 0.00 C ATOM 698 C SER A 74 16.868 22.813 -24.618 1.00 0.00 C ATOM 699 O SER A 74 16.208 21.934 -25.171 1.00 0.00 O ATOM 700 CB SER A 74 17.329 24.992 -25.744 1.00 0.00 C ATOM 701 OG SER A 74 17.491 24.154 -26.880 1.00 0.00 O ATOM 0 H SER A 74 17.299 25.653 -23.367 1.00 0.00 H new ATOM 0 HA SER A 74 15.410 24.325 -25.024 1.00 0.00 H new ATOM 0 HB2 SER A 74 16.870 25.937 -26.037 1.00 0.00 H new ATOM 0 HB3 SER A 74 18.301 25.230 -25.311 1.00 0.00 H new ATOM 0 HG SER A 74 18.050 24.608 -27.544 1.00 0.00 H new ATOM 707 N ASP A 75 17.974 22.558 -23.921 1.00 0.00 N ATOM 708 CA ASP A 75 18.482 21.196 -23.760 1.00 0.00 C ATOM 709 C ASP A 75 19.184 21.047 -22.407 1.00 0.00 C ATOM 710 O ASP A 75 20.411 21.109 -22.330 1.00 0.00 O ATOM 711 CB ASP A 75 19.464 20.871 -24.888 1.00 0.00 C ATOM 712 CG ASP A 75 20.530 21.954 -24.990 1.00 0.00 C ATOM 713 OD1 ASP A 75 20.507 22.859 -24.172 1.00 0.00 O ATOM 714 OD2 ASP A 75 21.356 21.863 -25.883 1.00 0.00 O1- ATOM 0 H ASP A 75 18.535 23.274 -23.460 1.00 0.00 H new ATOM 0 HA ASP A 75 17.642 20.502 -23.801 1.00 0.00 H new ATOM 0 HB2 ASP A 75 19.934 19.905 -24.703 1.00 0.00 H new ATOM 0 HB3 ASP A 75 18.928 20.789 -25.833 1.00 0.00 H new ATOM 719 N PRO A 76 18.433 20.861 -21.347 1.00 0.00 N ATOM 720 CA PRO A 76 19.005 20.713 -19.977 1.00 0.00 C ATOM 721 C PRO A 76 19.575 19.317 -19.743 1.00 0.00 C ATOM 722 O PRO A 76 18.846 18.326 -19.774 1.00 0.00 O ATOM 723 CB PRO A 76 17.809 20.985 -19.053 1.00 0.00 C ATOM 724 CG PRO A 76 16.594 20.610 -19.851 1.00 0.00 C ATOM 725 CD PRO A 76 16.961 20.776 -21.336 1.00 0.00 C ATOM 0 HA PRO A 76 19.841 21.390 -19.804 1.00 0.00 H new ATOM 0 HB2 PRO A 76 17.876 20.394 -18.139 1.00 0.00 H new ATOM 0 HB3 PRO A 76 17.774 22.033 -18.754 1.00 0.00 H new ATOM 0 HG2 PRO A 76 16.296 19.583 -19.640 1.00 0.00 H new ATOM 0 HG3 PRO A 76 15.749 21.247 -19.589 1.00 0.00 H new ATOM 0 HD2 PRO A 76 16.608 19.932 -21.929 1.00 0.00 H new ATOM 0 HD3 PRO A 76 16.509 21.673 -21.758 1.00 0.00 H new ATOM 733 N LYS A 77 20.880 19.250 -19.498 1.00 0.00 N ATOM 734 CA LYS A 77 21.548 17.972 -19.247 1.00 0.00 C ATOM 735 C LYS A 77 21.909 17.852 -17.774 1.00 0.00 C ATOM 736 O LYS A 77 22.831 18.510 -17.294 1.00 0.00 O ATOM 737 CB LYS A 77 22.816 17.876 -20.090 1.00 0.00 C ATOM 738 CG LYS A 77 22.435 17.774 -21.568 1.00 0.00 C ATOM 739 CD LYS A 77 23.699 17.819 -22.437 1.00 0.00 C ATOM 740 CE LYS A 77 24.426 16.470 -22.385 1.00 0.00 C ATOM 741 NZ LYS A 77 25.497 16.447 -23.421 1.00 0.00 N1+ ATOM 0 H LYS A 77 21.497 20.062 -19.467 1.00 0.00 H new ATOM 0 HA LYS A 77 20.870 17.162 -19.517 1.00 0.00 H new ATOM 0 HB2 LYS A 77 23.444 18.752 -19.924 1.00 0.00 H new ATOM 0 HB3 LYS A 77 23.399 17.005 -19.792 1.00 0.00 H new ATOM 0 HG2 LYS A 77 21.891 16.847 -21.749 1.00 0.00 H new ATOM 0 HG3 LYS A 77 21.768 18.593 -21.838 1.00 0.00 H new ATOM 0 HD2 LYS A 77 23.433 18.057 -23.467 1.00 0.00 H new ATOM 0 HD3 LYS A 77 24.361 18.611 -22.087 1.00 0.00 H new ATOM 0 HE2 LYS A 77 24.857 16.314 -21.396 1.00 0.00 H new ATOM 0 HE3 LYS A 77 23.721 15.657 -22.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 25.992 15.533 -23.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 25.073 16.578 -24.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 26.174 17.214 -23.237 1.00 0.00 H new ATOM 755 N VAL A 78 21.178 17.001 -17.059 1.00 0.00 N ATOM 756 CA VAL A 78 21.427 16.788 -15.636 1.00 0.00 C ATOM 757 C VAL A 78 21.182 15.328 -15.272 1.00 0.00 C ATOM 758 O VAL A 78 20.473 14.612 -15.978 1.00 0.00 O ATOM 759 CB VAL A 78 20.516 17.701 -14.807 1.00 0.00 C ATOM 760 CG1 VAL A 78 21.083 19.123 -14.792 1.00 0.00 C ATOM 761 CG2 VAL A 78 19.124 17.726 -15.437 1.00 0.00 C ATOM 0 H VAL A 78 20.410 16.449 -17.441 1.00 0.00 H new ATOM 0 HA VAL A 78 22.467 17.031 -15.417 1.00 0.00 H new ATOM 0 HB VAL A 78 20.458 17.323 -13.786 1.00 0.00 H new ATOM 0 HG11 VAL A 78 20.432 19.768 -14.202 1.00 0.00 H new ATOM 0 HG12 VAL A 78 22.080 19.113 -14.351 1.00 0.00 H new ATOM 0 HG13 VAL A 78 21.141 19.502 -15.812 1.00 0.00 H new ATOM 0 HG21 VAL A 78 18.471 18.374 -14.852 1.00 0.00 H new ATOM 0 HG22 VAL A 78 19.193 18.106 -16.456 1.00 0.00 H new ATOM 0 HG23 VAL A 78 18.714 16.716 -15.453 1.00 0.00 H new ATOM 771 N ILE A 79 21.771 14.898 -14.161 1.00 0.00 N ATOM 772 CA ILE A 79 21.622 13.519 -13.697 1.00 0.00 C ATOM 773 C ILE A 79 20.631 13.448 -12.542 1.00 0.00 C ATOM 774 O ILE A 79 20.434 14.427 -11.820 1.00 0.00 O ATOM 775 CB ILE A 79 22.980 12.981 -13.248 1.00 0.00 C ATOM 776 CG1 ILE A 79 23.544 13.856 -12.130 1.00 0.00 C ATOM 777 CG2 ILE A 79 23.950 12.979 -14.429 1.00 0.00 C ATOM 778 CD1 ILE A 79 24.878 13.270 -11.675 1.00 0.00 C ATOM 0 H ILE A 79 22.356 15.482 -13.564 1.00 0.00 H new ATOM 0 HA ILE A 79 21.242 12.911 -14.518 1.00 0.00 H new ATOM 0 HB ILE A 79 22.853 11.963 -12.879 1.00 0.00 H new ATOM 0 HG12 ILE A 79 23.681 14.878 -12.483 1.00 0.00 H new ATOM 0 HG13 ILE A 79 22.845 13.898 -11.294 1.00 0.00 H new ATOM 0 HG21 ILE A 79 24.917 12.595 -14.105 1.00 0.00 H new ATOM 0 HG22 ILE A 79 23.555 12.345 -15.223 1.00 0.00 H new ATOM 0 HG23 ILE A 79 24.070 13.996 -14.803 1.00 0.00 H new ATOM 0 HD11 ILE A 79 25.292 13.885 -10.876 1.00 0.00 H new ATOM 0 HD12 ILE A 79 24.723 12.255 -11.308 1.00 0.00 H new ATOM 0 HD13 ILE A 79 25.572 13.250 -12.515 1.00 0.00 H new ATOM 790 N CYS A 80 20.002 12.289 -12.378 1.00 0.00 N ATOM 791 CA CYS A 80 19.027 12.103 -11.310 1.00 0.00 C ATOM 792 C CYS A 80 19.727 11.776 -9.993 1.00 0.00 C ATOM 793 O CYS A 80 20.953 11.799 -9.908 1.00 0.00 O ATOM 794 CB CYS A 80 18.041 10.994 -11.689 1.00 0.00 C ATOM 795 SG CYS A 80 18.777 9.369 -11.405 1.00 0.00 S ATOM 0 H CYS A 80 20.149 11.469 -12.967 1.00 0.00 H new ATOM 0 HA CYS A 80 18.473 13.032 -11.175 1.00 0.00 H new ATOM 0 HB2 CYS A 80 17.128 11.094 -11.101 1.00 0.00 H new ATOM 0 HB3 CYS A 80 17.758 11.093 -12.737 1.00 0.00 H new ATOM 800 N ARG A 81 18.936 11.485 -8.965 1.00 0.00 N ATOM 801 CA ARG A 81 19.478 11.165 -7.647 1.00 0.00 C ATOM 802 C ARG A 81 20.085 9.766 -7.612 1.00 0.00 C ATOM 803 O ARG A 81 21.061 9.519 -6.903 1.00 0.00 O ATOM 804 CB ARG A 81 18.375 11.250 -6.599 1.00 0.00 C ATOM 805 CG ARG A 81 17.808 12.666 -6.577 1.00 0.00 C ATOM 806 CD ARG A 81 16.866 12.809 -5.385 1.00 0.00 C ATOM 807 NE ARG A 81 15.681 11.977 -5.558 1.00 0.00 N ATOM 808 CZ ARG A 81 14.792 11.838 -4.578 1.00 0.00 C ATOM 809 NH1 ARG A 81 14.971 12.458 -3.442 1.00 0.00 N ATOM 810 NH2 ARG A 81 13.742 11.084 -4.750 1.00 0.00 N1+ ATOM 0 H ARG A 81 17.918 11.464 -9.018 1.00 0.00 H new ATOM 0 HA ARG A 81 20.264 11.889 -7.431 1.00 0.00 H new ATOM 0 HB2 ARG A 81 17.586 10.533 -6.826 1.00 0.00 H new ATOM 0 HB3 ARG A 81 18.770 10.989 -5.617 1.00 0.00 H new ATOM 0 HG2 ARG A 81 18.617 13.394 -6.507 1.00 0.00 H new ATOM 0 HG3 ARG A 81 17.274 12.872 -7.505 1.00 0.00 H new ATOM 0 HD2 ARG A 81 17.385 12.525 -4.470 1.00 0.00 H new ATOM 0 HD3 ARG A 81 16.570 13.852 -5.273 1.00 0.00 H new ATOM 0 HE ARG A 81 15.531 11.494 -6.444 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.792 13.048 -3.307 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.290 12.352 -2.690 1.00 0.00 H new ATOM 0 HH21 ARG A 81 13.601 10.600 -5.637 1.00 0.00 H new ATOM 0 HH22 ARG A 81 13.061 10.978 -3.998 1.00 0.00 H new ATOM 824 N THR A 82 19.485 8.847 -8.359 1.00 0.00 N ATOM 825 CA THR A 82 19.960 7.463 -8.385 1.00 0.00 C ATOM 826 C THR A 82 21.427 7.392 -8.793 1.00 0.00 C ATOM 827 O THR A 82 22.228 6.740 -8.128 1.00 0.00 O ATOM 828 CB THR A 82 19.129 6.633 -9.373 1.00 0.00 C ATOM 829 OG1 THR A 82 19.553 6.919 -10.699 1.00 0.00 O ATOM 830 CG2 THR A 82 17.645 6.970 -9.222 1.00 0.00 C ATOM 0 H THR A 82 18.675 9.030 -8.951 1.00 0.00 H new ATOM 0 HA THR A 82 19.851 7.059 -7.378 1.00 0.00 H new ATOM 0 HB THR A 82 19.273 5.573 -9.163 1.00 0.00 H new ATOM 0 HG1 THR A 82 19.130 7.748 -11.006 1.00 0.00 H new ATOM 0 HG21 THR A 82 17.063 6.376 -9.927 1.00 0.00 H new ATOM 0 HG22 THR A 82 17.322 6.745 -8.205 1.00 0.00 H new ATOM 0 HG23 THR A 82 17.490 8.030 -9.426 1.00 0.00 H new ATOM 838 N CYS A 83 21.776 8.067 -9.885 1.00 0.00 N ATOM 839 CA CYS A 83 23.159 8.068 -10.360 1.00 0.00 C ATOM 840 C CYS A 83 23.958 9.152 -9.643 1.00 0.00 C ATOM 841 O CYS A 83 25.139 9.351 -9.923 1.00 0.00 O ATOM 842 CB CYS A 83 23.199 8.306 -11.873 1.00 0.00 C ATOM 843 SG CYS A 83 21.984 9.562 -12.311 1.00 0.00 S ATOM 0 H CYS A 83 21.130 8.615 -10.453 1.00 0.00 H new ATOM 0 HA CYS A 83 23.604 7.097 -10.144 1.00 0.00 H new ATOM 0 HB2 CYS A 83 24.196 8.627 -12.176 1.00 0.00 H new ATOM 0 HB3 CYS A 83 22.987 7.378 -12.404 1.00 0.00 H new ATOM 848 N GLN A 84 23.305 9.851 -8.712 1.00 0.00 N ATOM 849 CA GLN A 84 23.960 10.919 -7.951 1.00 0.00 C ATOM 850 C GLN A 84 23.731 10.726 -6.452 1.00 0.00 C ATOM 851 O GLN A 84 23.201 11.606 -5.775 1.00 0.00 O ATOM 852 CB GLN A 84 23.417 12.285 -8.390 1.00 0.00 C ATOM 853 CG GLN A 84 24.194 13.418 -7.690 1.00 0.00 C ATOM 854 CD GLN A 84 24.192 14.677 -8.553 1.00 0.00 C ATOM 855 OE1 GLN A 84 23.155 15.058 -9.093 1.00 0.00 O ATOM 856 NE2 GLN A 84 25.302 15.344 -8.713 1.00 0.00 N ATOM 0 H GLN A 84 22.327 9.698 -8.467 1.00 0.00 H new ATOM 0 HA GLN A 84 25.031 10.879 -8.149 1.00 0.00 H new ATOM 0 HB2 GLN A 84 23.505 12.389 -9.472 1.00 0.00 H new ATOM 0 HB3 GLN A 84 22.357 12.358 -8.148 1.00 0.00 H new ATOM 0 HG2 GLN A 84 23.742 13.633 -6.721 1.00 0.00 H new ATOM 0 HG3 GLN A 84 25.220 13.101 -7.500 1.00 0.00 H new ATOM 0 HE21 GLN A 84 26.159 15.023 -8.263 1.00 0.00 H new ATOM 0 HE22 GLN A 84 25.313 16.186 -9.288 1.00 0.00 H new ATOM 865 N PRO A 85 24.117 9.594 -5.928 1.00 0.00 N ATOM 866 CA PRO A 85 23.953 9.281 -4.477 1.00 0.00 C ATOM 867 C PRO A 85 24.863 10.144 -3.601 1.00 0.00 C ATOM 868 O PRO A 85 24.613 10.313 -2.409 1.00 0.00 O ATOM 869 CB PRO A 85 24.324 7.791 -4.379 1.00 0.00 C ATOM 870 CG PRO A 85 25.219 7.538 -5.556 1.00 0.00 C ATOM 871 CD PRO A 85 24.753 8.486 -6.660 1.00 0.00 C ATOM 0 HA PRO A 85 22.944 9.489 -4.119 1.00 0.00 H new ATOM 0 HB2 PRO A 85 24.834 7.572 -3.441 1.00 0.00 H new ATOM 0 HB3 PRO A 85 23.436 7.160 -4.415 1.00 0.00 H new ATOM 0 HG2 PRO A 85 26.262 7.724 -5.299 1.00 0.00 H new ATOM 0 HG3 PRO A 85 25.151 6.500 -5.880 1.00 0.00 H new ATOM 0 HD2 PRO A 85 25.589 8.835 -7.266 1.00 0.00 H new ATOM 0 HD3 PRO A 85 24.051 7.998 -7.336 1.00 0.00 H new ATOM 879 N LYS A 86 25.923 10.674 -4.201 1.00 0.00 N ATOM 880 CA LYS A 86 26.869 11.501 -3.462 1.00 0.00 C ATOM 881 C LYS A 86 26.191 12.773 -2.968 1.00 0.00 C ATOM 882 O LYS A 86 26.099 13.763 -3.693 1.00 0.00 O ATOM 883 CB LYS A 86 28.049 11.870 -4.364 1.00 0.00 C ATOM 884 CG LYS A 86 28.635 10.604 -5.001 1.00 0.00 C ATOM 885 CD LYS A 86 29.230 9.694 -3.917 1.00 0.00 C ATOM 886 CE LYS A 86 30.169 8.669 -4.559 1.00 0.00 C ATOM 887 NZ LYS A 86 29.377 7.738 -5.411 1.00 0.00 N1+ ATOM 0 H LYS A 86 26.148 10.547 -5.188 1.00 0.00 H new ATOM 0 HA LYS A 86 27.228 10.935 -2.603 1.00 0.00 H new ATOM 0 HB2 LYS A 86 27.722 12.561 -5.141 1.00 0.00 H new ATOM 0 HB3 LYS A 86 28.815 12.384 -3.783 1.00 0.00 H new ATOM 0 HG2 LYS A 86 27.858 10.070 -5.549 1.00 0.00 H new ATOM 0 HG3 LYS A 86 29.406 10.874 -5.723 1.00 0.00 H new ATOM 0 HD2 LYS A 86 29.774 10.292 -3.186 1.00 0.00 H new ATOM 0 HD3 LYS A 86 28.431 9.183 -3.380 1.00 0.00 H new ATOM 0 HE2 LYS A 86 30.923 9.177 -5.160 1.00 0.00 H new ATOM 0 HE3 LYS A 86 30.699 8.111 -3.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 29.992 6.972 -5.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 28.598 7.334 -4.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 28.987 8.257 -6.223 1.00 0.00 H new ATOM 901 N GLN A 87 25.722 12.737 -1.724 1.00 0.00 N ATOM 902 CA GLN A 87 25.057 13.892 -1.134 1.00 0.00 C ATOM 903 C GLN A 87 26.085 14.889 -0.614 1.00 0.00 C ATOM 904 O GLN A 87 27.013 14.519 0.106 1.00 0.00 O ATOM 905 CB GLN A 87 24.151 13.444 0.013 1.00 0.00 C ATOM 906 CG GLN A 87 23.427 14.658 0.596 1.00 0.00 C ATOM 907 CD GLN A 87 22.381 14.208 1.608 1.00 0.00 C ATOM 908 OE1 GLN A 87 21.986 13.041 1.615 1.00 0.00 O ATOM 909 NE2 GLN A 87 21.906 15.066 2.469 1.00 0.00 N ATOM 0 H GLN A 87 25.790 11.926 -1.109 1.00 0.00 H new ATOM 0 HA GLN A 87 24.454 14.375 -1.903 1.00 0.00 H new ATOM 0 HB2 GLN A 87 23.426 12.713 -0.346 1.00 0.00 H new ATOM 0 HB3 GLN A 87 24.742 12.954 0.787 1.00 0.00 H new ATOM 0 HG2 GLN A 87 24.145 15.324 1.075 1.00 0.00 H new ATOM 0 HG3 GLN A 87 22.950 15.225 -0.203 1.00 0.00 H new ATOM 0 HE21 GLN A 87 22.235 16.032 2.461 1.00 0.00 H new ATOM 0 HE22 GLN A 87 21.206 14.771 3.150 1.00 0.00 H new ATOM 918 N HIS A 88 25.918 16.153 -0.986 1.00 0.00 N ATOM 919 CA HIS A 88 26.839 17.199 -0.556 1.00 0.00 C ATOM 920 C HIS A 88 28.285 16.715 -0.657 1.00 0.00 C ATOM 921 O HIS A 88 28.783 16.446 -1.751 1.00 0.00 O ATOM 922 CB HIS A 88 26.529 17.603 0.890 1.00 0.00 C ATOM 923 CG HIS A 88 27.465 18.702 1.316 1.00 0.00 C ATOM 924 ND1 HIS A 88 28.514 18.480 2.195 1.00 0.00 N ATOM 925 CD2 HIS A 88 27.525 20.033 0.989 1.00 0.00 C ATOM 926 CE1 HIS A 88 29.153 19.653 2.367 1.00 0.00 C ATOM 927 NE2 HIS A 88 28.591 20.632 1.654 1.00 0.00 N ATOM 0 H HIS A 88 25.157 16.478 -1.582 1.00 0.00 H new ATOM 0 HA HIS A 88 26.713 18.063 -1.209 1.00 0.00 H new ATOM 0 HB2 HIS A 88 25.495 17.939 0.971 1.00 0.00 H new ATOM 0 HB3 HIS A 88 26.637 16.743 1.550 1.00 0.00 H new ATOM 0 HD1 HIS A 88 28.757 17.591 2.632 1.00 0.00 H new ATOM 0 HD2 HIS A 88 26.848 20.539 0.317 1.00 0.00 H new ATOM 0 HE1 HIS A 88 30.015 19.786 3.004 1.00 0.00 H new ATOM 935 N ASP A 89 28.951 16.604 0.486 1.00 0.00 N ATOM 936 CA ASP A 89 30.337 16.151 0.513 1.00 0.00 C ATOM 937 C ASP A 89 30.800 15.943 1.951 1.00 0.00 C ATOM 938 O ASP A 89 30.063 16.223 2.897 1.00 0.00 O ATOM 939 CB ASP A 89 31.238 17.185 -0.167 1.00 0.00 C ATOM 940 CG ASP A 89 32.640 16.616 -0.348 1.00 0.00 C ATOM 941 OD1 ASP A 89 32.770 15.402 -0.343 1.00 0.00 O1- ATOM 942 OD2 ASP A 89 33.563 17.401 -0.491 1.00 0.00 O ATOM 0 H ASP A 89 28.557 16.820 1.402 1.00 0.00 H new ATOM 0 HA ASP A 89 30.402 15.204 -0.022 1.00 0.00 H new ATOM 0 HB2 ASP A 89 30.821 17.462 -1.135 1.00 0.00 H new ATOM 0 HB3 ASP A 89 31.280 18.094 0.433 1.00 0.00 H new ATOM 947 N SER A 90 32.023 15.453 2.108 1.00 0.00 N ATOM 948 CA SER A 90 32.580 15.212 3.430 1.00 0.00 C ATOM 949 C SER A 90 32.600 16.502 4.243 1.00 0.00 C ATOM 950 O SER A 90 32.293 17.575 3.726 1.00 0.00 O ATOM 951 CB SER A 90 34.003 14.664 3.302 1.00 0.00 C ATOM 952 OG SER A 90 34.728 15.459 2.375 1.00 0.00 O ATOM 0 H SER A 90 32.646 15.215 1.336 1.00 0.00 H new ATOM 0 HA SER A 90 31.954 14.482 3.943 1.00 0.00 H new ATOM 0 HB2 SER A 90 34.498 14.674 4.273 1.00 0.00 H new ATOM 0 HB3 SER A 90 33.977 13.627 2.968 1.00 0.00 H new ATOM 0 HG SER A 90 35.641 15.113 2.291 1.00 0.00 H new ATOM 958 N ILE A 91 32.959 16.385 5.520 1.00 0.00 N ATOM 959 CA ILE A 91 33.015 17.546 6.412 1.00 0.00 C ATOM 960 C ILE A 91 34.348 17.586 7.145 1.00 0.00 C ATOM 961 O ILE A 91 34.817 16.569 7.657 1.00 0.00 O ATOM 962 CB ILE A 91 31.862 17.482 7.418 1.00 0.00 C ATOM 963 CG1 ILE A 91 30.532 17.610 6.664 1.00 0.00 C ATOM 964 CG2 ILE A 91 31.983 18.631 8.425 1.00 0.00 C ATOM 965 CD1 ILE A 91 29.370 17.172 7.561 1.00 0.00 C ATOM 0 H ILE A 91 33.215 15.502 5.961 1.00 0.00 H new ATOM 0 HA ILE A 91 32.920 18.454 5.817 1.00 0.00 H new ATOM 0 HB ILE A 91 31.900 16.532 7.951 1.00 0.00 H new ATOM 0 HG12 ILE A 91 30.385 18.642 6.344 1.00 0.00 H new ATOM 0 HG13 ILE A 91 30.556 16.997 5.763 1.00 0.00 H new ATOM 0 HG21 ILE A 91 31.159 18.579 9.137 1.00 0.00 H new ATOM 0 HG22 ILE A 91 32.930 18.549 8.959 1.00 0.00 H new ATOM 0 HG23 ILE A 91 31.946 19.584 7.896 1.00 0.00 H new ATOM 0 HD11 ILE A 91 28.432 17.268 7.014 1.00 0.00 H new ATOM 0 HD12 ILE A 91 29.512 16.133 7.859 1.00 0.00 H new ATOM 0 HD13 ILE A 91 29.338 17.803 8.449 1.00 0.00 H new ATOM 977 N TRP A 92 34.956 18.766 7.184 1.00 0.00 N ATOM 978 CA TRP A 92 36.240 18.936 7.851 1.00 0.00 C ATOM 979 C TRP A 92 36.039 19.254 9.333 1.00 0.00 C ATOM 980 O TRP A 92 35.332 20.197 9.691 1.00 0.00 O ATOM 981 CB TRP A 92 37.029 20.072 7.166 1.00 0.00 C ATOM 982 CG TRP A 92 38.066 20.610 8.104 1.00 0.00 C ATOM 983 CD1 TRP A 92 39.114 19.909 8.572 1.00 0.00 C ATOM 984 CD2 TRP A 92 38.154 21.933 8.704 1.00 0.00 C ATOM 985 NE1 TRP A 92 39.846 20.713 9.431 1.00 0.00 N ATOM 986 CE2 TRP A 92 39.293 21.972 9.540 1.00 0.00 C ATOM 987 CE3 TRP A 92 37.363 23.090 8.606 1.00 0.00 C ATOM 988 CZ2 TRP A 92 39.637 23.120 10.255 1.00 0.00 C ATOM 989 CZ3 TRP A 92 37.705 24.248 9.322 1.00 0.00 C ATOM 990 CH2 TRP A 92 38.840 24.262 10.145 1.00 0.00 C ATOM 0 H TRP A 92 34.582 19.616 6.763 1.00 0.00 H new ATOM 0 HA TRP A 92 36.804 18.006 7.775 1.00 0.00 H new ATOM 0 HB2 TRP A 92 37.505 19.700 6.259 1.00 0.00 H new ATOM 0 HB3 TRP A 92 36.349 20.869 6.866 1.00 0.00 H new ATOM 0 HD1 TRP A 92 39.347 18.885 8.319 1.00 0.00 H new ATOM 0 HE1 TRP A 92 40.688 20.412 9.921 1.00 0.00 H new ATOM 0 HE3 TRP A 92 36.486 23.088 7.976 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 40.512 23.126 10.888 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 37.091 25.132 9.238 1.00 0.00 H new ATOM 0 HH2 TRP A 92 39.098 25.156 10.694 1.00 0.00 H new ATOM 1001 N CYS A 93 36.700 18.476 10.185 1.00 0.00 N ATOM 1002 CA CYS A 93 36.630 18.689 11.629 1.00 0.00 C ATOM 1003 C CYS A 93 37.798 19.559 12.062 1.00 0.00 C ATOM 1004 O CYS A 93 38.937 19.323 11.659 1.00 0.00 O ATOM 1005 CB CYS A 93 36.706 17.353 12.364 1.00 0.00 C ATOM 1006 SG CYS A 93 36.757 17.646 14.150 1.00 0.00 S ATOM 0 H CYS A 93 37.290 17.693 9.902 1.00 0.00 H new ATOM 0 HA CYS A 93 35.686 19.177 11.871 1.00 0.00 H new ATOM 0 HB2 CYS A 93 35.843 16.737 12.111 1.00 0.00 H new ATOM 0 HB3 CYS A 93 37.593 16.803 12.050 1.00 0.00 H new ATOM 1011 N THR A 94 37.522 20.567 12.880 1.00 0.00 N ATOM 1012 CA THR A 94 38.579 21.459 13.347 1.00 0.00 C ATOM 1013 C THR A 94 39.163 20.953 14.662 1.00 0.00 C ATOM 1014 O THR A 94 40.182 21.461 15.132 1.00 0.00 O ATOM 1015 CB THR A 94 38.018 22.872 13.539 1.00 0.00 C ATOM 1016 OG1 THR A 94 37.408 22.972 14.821 1.00 0.00 O ATOM 1017 CG2 THR A 94 36.973 23.168 12.456 1.00 0.00 C ATOM 0 H THR A 94 36.590 20.787 13.230 1.00 0.00 H new ATOM 0 HA THR A 94 39.372 21.482 12.599 1.00 0.00 H new ATOM 0 HB THR A 94 38.832 23.593 13.463 1.00 0.00 H new ATOM 0 HG1 THR A 94 36.776 23.721 14.825 1.00 0.00 H new ATOM 0 HG21 THR A 94 36.577 24.174 12.597 1.00 0.00 H new ATOM 0 HG22 THR A 94 37.438 23.096 11.473 1.00 0.00 H new ATOM 0 HG23 THR A 94 36.160 22.445 12.527 1.00 0.00 H new ATOM 1025 N ALA A 95 38.514 19.947 15.256 1.00 0.00 N ATOM 1026 CA ALA A 95 38.987 19.386 16.515 1.00 0.00 C ATOM 1027 C ALA A 95 39.888 18.174 16.259 1.00 0.00 C ATOM 1028 O ALA A 95 40.615 17.738 17.150 1.00 0.00 O ATOM 1029 CB ALA A 95 37.783 18.975 17.367 1.00 0.00 C ATOM 0 H ALA A 95 37.669 19.511 14.886 1.00 0.00 H new ATOM 0 HA ALA A 95 39.570 20.139 17.045 1.00 0.00 H new ATOM 0 HB1 ALA A 95 38.131 18.554 18.310 1.00 0.00 H new ATOM 0 HB2 ALA A 95 37.163 19.849 17.566 1.00 0.00 H new ATOM 0 HB3 ALA A 95 37.196 18.228 16.832 1.00 0.00 H new ATOM 1035 N CYS A 96 39.842 17.640 15.033 1.00 0.00 N ATOM 1036 CA CYS A 96 40.668 16.480 14.664 1.00 0.00 C ATOM 1037 C CYS A 96 41.674 16.861 13.586 1.00 0.00 C ATOM 1038 O CYS A 96 42.668 16.168 13.385 1.00 0.00 O ATOM 1039 CB CYS A 96 39.789 15.343 14.139 1.00 0.00 C ATOM 1040 SG CYS A 96 38.763 14.686 15.471 1.00 0.00 S ATOM 0 H CYS A 96 39.246 17.989 14.282 1.00 0.00 H new ATOM 0 HA CYS A 96 41.199 16.150 15.557 1.00 0.00 H new ATOM 0 HB2 CYS A 96 39.157 15.706 13.328 1.00 0.00 H new ATOM 0 HB3 CYS A 96 40.414 14.551 13.726 1.00 0.00 H new ATOM 1045 N GLN A 97 41.391 17.956 12.887 1.00 0.00 N ATOM 1046 CA GLN A 97 42.270 18.423 11.816 1.00 0.00 C ATOM 1047 C GLN A 97 42.386 17.360 10.729 1.00 0.00 C ATOM 1048 O GLN A 97 43.398 17.278 10.034 1.00 0.00 O ATOM 1049 CB GLN A 97 43.666 18.736 12.370 1.00 0.00 C ATOM 1050 CG GLN A 97 43.553 19.777 13.481 1.00 0.00 C ATOM 1051 CD GLN A 97 43.108 21.113 12.901 1.00 0.00 C ATOM 1052 OE1 GLN A 97 43.688 21.592 11.926 1.00 0.00 O ATOM 1053 NE2 GLN A 97 42.107 21.750 13.444 1.00 0.00 N ATOM 0 H GLN A 97 40.565 18.535 13.040 1.00 0.00 H new ATOM 0 HA GLN A 97 41.840 19.330 11.391 1.00 0.00 H new ATOM 0 HB2 GLN A 97 44.128 17.827 12.755 1.00 0.00 H new ATOM 0 HB3 GLN A 97 44.310 19.108 11.573 1.00 0.00 H new ATOM 0 HG2 GLN A 97 42.839 19.442 14.233 1.00 0.00 H new ATOM 0 HG3 GLN A 97 44.514 19.891 13.983 1.00 0.00 H new ATOM 0 HE21 GLN A 97 41.627 21.352 14.252 1.00 0.00 H new ATOM 0 HE22 GLN A 97 41.804 22.646 13.061 1.00 0.00 H new ATOM 1062 N GLN A 98 41.333 16.556 10.576 1.00 0.00 N ATOM 1063 CA GLN A 98 41.313 15.504 9.558 1.00 0.00 C ATOM 1064 C GLN A 98 39.979 15.504 8.815 1.00 0.00 C ATOM 1065 O GLN A 98 38.953 15.913 9.359 1.00 0.00 O ATOM 1066 CB GLN A 98 41.536 14.142 10.218 1.00 0.00 C ATOM 1067 CG GLN A 98 42.986 14.038 10.694 1.00 0.00 C ATOM 1068 CD GLN A 98 43.920 13.916 9.495 1.00 0.00 C ATOM 1069 OE1 GLN A 98 44.036 12.768 8.885 1.00 0.00 O flip ATOM 1070 NE2 GLN A 98 44.557 14.892 9.101 1.00 0.00 N flip ATOM 0 H GLN A 98 40.486 16.612 11.141 1.00 0.00 H new ATOM 0 HA GLN A 98 42.112 15.696 8.842 1.00 0.00 H new ATOM 0 HB2 GLN A 98 40.856 14.018 11.061 1.00 0.00 H new ATOM 0 HB3 GLN A 98 41.316 13.343 9.511 1.00 0.00 H new ATOM 0 HG2 GLN A 98 43.248 14.917 11.282 1.00 0.00 H new ATOM 0 HG3 GLN A 98 43.102 13.172 11.346 1.00 0.00 H new ATOM 0 HE21 GLN A 98 44.465 15.788 9.579 1.00 0.00 H new ATOM 0 HE22 GLN A 98 45.177 14.805 8.296 1.00 0.00 H new ATOM 1079 N THR A 99 40.006 15.042 7.569 1.00 0.00 N ATOM 1080 CA THR A 99 38.798 14.986 6.748 1.00 0.00 C ATOM 1081 C THR A 99 37.983 13.747 7.083 1.00 0.00 C ATOM 1082 O THR A 99 38.513 12.639 7.136 1.00 0.00 O ATOM 1083 CB THR A 99 39.172 14.960 5.266 1.00 0.00 C ATOM 1084 OG1 THR A 99 39.984 16.085 4.962 1.00 0.00 O ATOM 1085 CG2 THR A 99 37.901 15.000 4.421 1.00 0.00 C ATOM 0 H THR A 99 40.848 14.701 7.105 1.00 0.00 H new ATOM 0 HA THR A 99 38.200 15.873 6.957 1.00 0.00 H new ATOM 0 HB THR A 99 39.725 14.047 5.045 1.00 0.00 H new ATOM 0 HG1 THR A 99 40.225 16.067 4.012 1.00 0.00 H new ATOM 0 HG21 THR A 99 38.166 14.982 3.364 1.00 0.00 H new ATOM 0 HG22 THR A 99 37.281 14.134 4.655 1.00 0.00 H new ATOM 0 HG23 THR A 99 37.347 15.913 4.640 1.00 0.00 H new ATOM 1093 N LYS A 100 36.683 13.941 7.309 1.00 0.00 N ATOM 1094 CA LYS A 100 35.790 12.832 7.642 1.00 0.00 C ATOM 1095 C LYS A 100 34.591 12.816 6.714 1.00 0.00 C ATOM 1096 O LYS A 100 34.035 13.861 6.381 1.00 0.00 O ATOM 1097 CB LYS A 100 35.297 12.985 9.077 1.00 0.00 C ATOM 1098 CG LYS A 100 36.469 12.896 10.065 1.00 0.00 C ATOM 1099 CD LYS A 100 36.794 11.427 10.380 1.00 0.00 C ATOM 1100 CE LYS A 100 38.179 11.330 11.018 1.00 0.00 C ATOM 1101 NZ LYS A 100 38.195 12.087 12.300 1.00 0.00 N1+ ATOM 0 H LYS A 100 36.227 14.852 7.268 1.00 0.00 H new ATOM 0 HA LYS A 100 36.343 11.900 7.531 1.00 0.00 H new ATOM 0 HB2 LYS A 100 34.789 13.943 9.192 1.00 0.00 H new ATOM 0 HB3 LYS A 100 34.566 12.208 9.301 1.00 0.00 H new ATOM 0 HG2 LYS A 100 37.346 13.387 9.644 1.00 0.00 H new ATOM 0 HG3 LYS A 100 36.219 13.425 10.985 1.00 0.00 H new ATOM 0 HD2 LYS A 100 36.043 11.015 11.054 1.00 0.00 H new ATOM 0 HD3 LYS A 100 36.762 10.834 9.466 1.00 0.00 H new ATOM 0 HE2 LYS A 100 38.435 10.286 11.198 1.00 0.00 H new ATOM 0 HE3 LYS A 100 38.932 11.730 10.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 39.052 11.844 12.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 38.190 13.108 12.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 37.354 11.839 12.860 1.00 0.00 H new ATOM 1115 N GLY A 101 34.197 11.622 6.303 1.00 0.00 N ATOM 1116 CA GLY A 101 33.057 11.479 5.409 1.00 0.00 C ATOM 1117 C GLY A 101 31.810 12.109 6.011 1.00 0.00 C ATOM 1118 O GLY A 101 31.764 12.410 7.202 1.00 0.00 O ATOM 0 H GLY A 101 34.644 10.745 6.570 1.00 0.00 H new ATOM 0 HA2 GLY A 101 33.280 11.949 4.451 1.00 0.00 H new ATOM 0 HA3 GLY A 101 32.876 10.423 5.211 1.00 0.00 H new ATOM 1122 N ILE A 102 30.802 12.301 5.173 1.00 0.00 N ATOM 1123 CA ILE A 102 29.549 12.894 5.621 1.00 0.00 C ATOM 1124 C ILE A 102 28.831 11.969 6.596 1.00 0.00 C ATOM 1125 O ILE A 102 28.190 12.423 7.544 1.00 0.00 O ATOM 1126 CB ILE A 102 28.646 13.191 4.421 1.00 0.00 C ATOM 1127 CG1 ILE A 102 27.411 13.972 4.889 1.00 0.00 C ATOM 1128 CG2 ILE A 102 28.208 11.878 3.770 1.00 0.00 C ATOM 1129 CD1 ILE A 102 26.725 14.609 3.682 1.00 0.00 C ATOM 0 H ILE A 102 30.826 12.056 4.183 1.00 0.00 H new ATOM 0 HA ILE A 102 29.778 13.828 6.135 1.00 0.00 H new ATOM 0 HB ILE A 102 29.196 13.787 3.693 1.00 0.00 H new ATOM 0 HG12 ILE A 102 26.719 13.305 5.404 1.00 0.00 H new ATOM 0 HG13 ILE A 102 27.703 14.742 5.603 1.00 0.00 H new ATOM 0 HG21 ILE A 102 27.565 12.092 2.916 1.00 0.00 H new ATOM 0 HG22 ILE A 102 29.087 11.328 3.434 1.00 0.00 H new ATOM 0 HG23 ILE A 102 27.659 11.277 4.496 1.00 0.00 H new ATOM 0 HD11 ILE A 102 25.847 15.164 4.013 1.00 0.00 H new ATOM 0 HD12 ILE A 102 27.418 15.288 3.186 1.00 0.00 H new ATOM 0 HD13 ILE A 102 26.419 13.830 2.984 1.00 0.00 H new ATOM 1141 N ASN A 103 28.940 10.669 6.353 1.00 0.00 N ATOM 1142 CA ASN A 103 28.294 9.683 7.211 1.00 0.00 C ATOM 1143 C ASN A 103 28.816 9.793 8.642 1.00 0.00 C ATOM 1144 O ASN A 103 28.056 9.669 9.601 1.00 0.00 O ATOM 1145 CB ASN A 103 28.561 8.274 6.678 1.00 0.00 C ATOM 1146 CG ASN A 103 27.806 8.057 5.370 1.00 0.00 C ATOM 1147 OD1 ASN A 103 26.641 8.438 5.254 1.00 0.00 O ATOM 1148 ND2 ASN A 103 28.407 7.471 4.371 1.00 0.00 N ATOM 0 H ASN A 103 29.466 10.274 5.574 1.00 0.00 H new ATOM 0 HA ASN A 103 27.221 9.876 7.211 1.00 0.00 H new ATOM 0 HB2 ASN A 103 29.630 8.134 6.518 1.00 0.00 H new ATOM 0 HB3 ASN A 103 28.249 7.533 7.414 1.00 0.00 H new ATOM 0 HD21 ASN A 103 27.912 7.328 3.491 1.00 0.00 H new ATOM 0 HD22 ASN A 103 29.372 7.156 4.470 1.00 0.00 H new ATOM 1155 N GLU A 104 30.118 10.031 8.777 1.00 0.00 N ATOM 1156 CA GLU A 104 30.730 10.158 10.095 1.00 0.00 C ATOM 1157 C GLU A 104 30.372 11.494 10.729 1.00 0.00 C ATOM 1158 O GLU A 104 30.918 11.862 11.767 1.00 0.00 O ATOM 1159 CB GLU A 104 32.249 10.032 9.981 1.00 0.00 C ATOM 1160 CG GLU A 104 32.613 8.595 9.606 1.00 0.00 C ATOM 1161 CD GLU A 104 34.120 8.477 9.399 1.00 0.00 C ATOM 1162 OE1 GLU A 104 34.799 9.480 9.554 1.00 0.00 O ATOM 1163 OE2 GLU A 104 34.572 7.387 9.090 1.00 0.00 O1- ATOM 0 H GLU A 104 30.765 10.139 7.996 1.00 0.00 H new ATOM 0 HA GLU A 104 30.347 9.358 10.729 1.00 0.00 H new ATOM 0 HB2 GLU A 104 32.627 10.723 9.227 1.00 0.00 H new ATOM 0 HB3 GLU A 104 32.719 10.303 10.926 1.00 0.00 H new ATOM 0 HG2 GLU A 104 32.291 7.912 10.392 1.00 0.00 H new ATOM 0 HG3 GLU A 104 32.088 8.304 8.696 1.00 0.00 H new ATOM 1170 N PHE A 105 29.449 12.213 10.099 1.00 0.00 N ATOM 1171 CA PHE A 105 29.004 13.515 10.606 1.00 0.00 C ATOM 1172 C PHE A 105 27.481 13.570 10.687 1.00 0.00 C ATOM 1173 O PHE A 105 26.780 12.945 9.891 1.00 0.00 O ATOM 1174 CB PHE A 105 29.531 14.639 9.684 1.00 0.00 C ATOM 1175 CG PHE A 105 30.679 15.366 10.335 1.00 0.00 C ATOM 1176 CD1 PHE A 105 31.959 14.820 10.316 1.00 0.00 C ATOM 1177 CD2 PHE A 105 30.446 16.589 10.968 1.00 0.00 C ATOM 1178 CE1 PHE A 105 33.008 15.500 10.933 1.00 0.00 C ATOM 1179 CE2 PHE A 105 31.496 17.272 11.585 1.00 0.00 C ATOM 1180 CZ PHE A 105 32.779 16.727 11.569 1.00 0.00 C ATOM 0 H PHE A 105 28.992 11.920 9.236 1.00 0.00 H new ATOM 0 HA PHE A 105 29.404 13.656 11.610 1.00 0.00 H new ATOM 0 HB2 PHE A 105 29.855 14.215 8.733 1.00 0.00 H new ATOM 0 HB3 PHE A 105 28.728 15.342 9.463 1.00 0.00 H new ATOM 0 HD1 PHE A 105 32.139 13.875 9.826 1.00 0.00 H new ATOM 0 HD2 PHE A 105 29.451 17.008 10.980 1.00 0.00 H new ATOM 0 HE1 PHE A 105 34.002 15.079 10.921 1.00 0.00 H new ATOM 0 HE2 PHE A 105 31.315 18.219 12.073 1.00 0.00 H new ATOM 0 HZ PHE A 105 33.595 17.250 12.046 1.00 0.00 H new ATOM 1190 N SER A 106 26.987 14.333 11.657 1.00 0.00 N ATOM 1191 CA SER A 106 25.550 14.487 11.850 1.00 0.00 C ATOM 1192 C SER A 106 25.023 15.647 11.009 1.00 0.00 C ATOM 1193 O SER A 106 25.797 16.411 10.430 1.00 0.00 O ATOM 1194 CB SER A 106 25.248 14.742 13.324 1.00 0.00 C ATOM 1195 OG SER A 106 23.904 15.185 13.458 1.00 0.00 O ATOM 0 H SER A 106 27.560 14.854 12.321 1.00 0.00 H new ATOM 0 HA SER A 106 25.055 13.569 11.534 1.00 0.00 H new ATOM 0 HB2 SER A 106 25.402 13.831 13.902 1.00 0.00 H new ATOM 0 HB3 SER A 106 25.932 15.491 13.723 1.00 0.00 H new ATOM 0 HG SER A 106 23.706 15.348 14.404 1.00 0.00 H new ATOM 1201 N LYS A 107 23.704 15.774 10.958 1.00 0.00 N ATOM 1202 CA LYS A 107 23.076 16.847 10.196 1.00 0.00 C ATOM 1203 C LYS A 107 23.276 18.199 10.881 1.00 0.00 C ATOM 1204 O LYS A 107 23.593 19.195 10.231 1.00 0.00 O ATOM 1205 CB LYS A 107 21.581 16.571 10.040 1.00 0.00 C ATOM 1206 CG LYS A 107 21.009 17.459 8.933 1.00 0.00 C ATOM 1207 CD LYS A 107 19.535 17.116 8.714 1.00 0.00 C ATOM 1208 CE LYS A 107 18.966 17.998 7.602 1.00 0.00 C ATOM 1209 NZ LYS A 107 17.530 17.662 7.390 1.00 0.00 N1+ ATOM 0 H LYS A 107 23.050 15.151 11.432 1.00 0.00 H new ATOM 0 HA LYS A 107 23.547 16.883 9.214 1.00 0.00 H new ATOM 0 HB2 LYS A 107 21.418 15.521 9.799 1.00 0.00 H new ATOM 0 HB3 LYS A 107 21.065 16.766 10.980 1.00 0.00 H new ATOM 0 HG2 LYS A 107 21.112 18.509 9.205 1.00 0.00 H new ATOM 0 HG3 LYS A 107 21.569 17.312 8.009 1.00 0.00 H new ATOM 0 HD2 LYS A 107 19.431 16.064 8.448 1.00 0.00 H new ATOM 0 HD3 LYS A 107 18.974 17.268 9.636 1.00 0.00 H new ATOM 0 HE2 LYS A 107 19.069 19.050 7.868 1.00 0.00 H new ATOM 0 HE3 LYS A 107 19.526 17.846 6.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 17.141 18.261 6.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 17.444 16.662 7.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 17.001 17.828 8.270 1.00 0.00 H new ATOM 1223 N ALA A 108 23.071 18.226 12.196 1.00 0.00 N ATOM 1224 CA ALA A 108 23.215 19.462 12.962 1.00 0.00 C ATOM 1225 C ALA A 108 24.650 19.974 12.909 1.00 0.00 C ATOM 1226 O ALA A 108 24.887 21.178 12.826 1.00 0.00 O ATOM 1227 CB ALA A 108 22.809 19.223 14.417 1.00 0.00 C ATOM 0 H ALA A 108 22.806 17.412 12.751 1.00 0.00 H new ATOM 0 HA ALA A 108 22.563 20.215 12.519 1.00 0.00 H new ATOM 0 HB1 ALA A 108 22.919 20.149 14.982 1.00 0.00 H new ATOM 0 HB2 ALA A 108 21.770 18.895 14.456 1.00 0.00 H new ATOM 0 HB3 ALA A 108 23.448 18.455 14.852 1.00 0.00 H new ATOM 1233 N GLN A 109 25.602 19.052 12.953 1.00 0.00 N ATOM 1234 CA GLN A 109 27.012 19.419 12.908 1.00 0.00 C ATOM 1235 C GLN A 109 27.311 20.231 11.649 1.00 0.00 C ATOM 1236 O GLN A 109 28.246 21.024 11.619 1.00 0.00 O ATOM 1237 CB GLN A 109 27.872 18.159 12.930 1.00 0.00 C ATOM 1238 CG GLN A 109 27.799 17.513 14.315 1.00 0.00 C ATOM 1239 CD GLN A 109 28.425 16.124 14.268 1.00 0.00 C ATOM 1240 OE1 GLN A 109 28.992 15.732 13.248 1.00 0.00 O ATOM 1241 NE2 GLN A 109 28.354 15.350 15.313 1.00 0.00 N ATOM 0 H GLN A 109 25.426 18.050 13.019 1.00 0.00 H new ATOM 0 HA GLN A 109 27.245 20.030 13.780 1.00 0.00 H new ATOM 0 HB2 GLN A 109 27.526 17.457 12.171 1.00 0.00 H new ATOM 0 HB3 GLN A 109 28.905 18.407 12.687 1.00 0.00 H new ATOM 0 HG2 GLN A 109 28.321 18.133 15.044 1.00 0.00 H new ATOM 0 HG3 GLN A 109 26.761 17.444 14.640 1.00 0.00 H new ATOM 0 HE21 GLN A 109 27.884 15.676 16.158 1.00 0.00 H new ATOM 0 HE22 GLN A 109 28.768 14.418 15.287 1.00 0.00 H new ATOM 1250 N ARG A 110 26.512 20.028 10.613 1.00 0.00 N ATOM 1251 CA ARG A 110 26.694 20.756 9.361 1.00 0.00 C ATOM 1252 C ARG A 110 25.944 22.088 9.407 1.00 0.00 C ATOM 1253 O ARG A 110 26.185 22.979 8.594 1.00 0.00 O ATOM 1254 CB ARG A 110 26.190 19.908 8.191 1.00 0.00 C ATOM 1255 CG ARG A 110 26.485 20.628 6.874 1.00 0.00 C ATOM 1256 CD ARG A 110 26.133 19.713 5.702 1.00 0.00 C ATOM 1257 NE ARG A 110 26.510 20.349 4.443 1.00 0.00 N ATOM 1258 CZ ARG A 110 25.675 21.166 3.807 1.00 0.00 C ATOM 1259 NH1 ARG A 110 24.496 21.415 4.308 1.00 0.00 N ATOM 1260 NH2 ARG A 110 26.036 21.724 2.683 1.00 0.00 N1+ ATOM 0 H ARG A 110 25.734 19.369 10.611 1.00 0.00 H new ATOM 0 HA ARG A 110 27.756 20.960 9.222 1.00 0.00 H new ATOM 0 HB2 ARG A 110 26.675 18.932 8.200 1.00 0.00 H new ATOM 0 HB3 ARG A 110 25.119 19.733 8.290 1.00 0.00 H new ATOM 0 HG2 ARG A 110 25.908 21.551 6.815 1.00 0.00 H new ATOM 0 HG3 ARG A 110 27.538 20.907 6.828 1.00 0.00 H new ATOM 0 HD2 ARG A 110 26.650 18.759 5.806 1.00 0.00 H new ATOM 0 HD3 ARG A 110 25.064 19.499 5.705 1.00 0.00 H new ATOM 0 HE ARG A 110 27.430 20.163 4.044 1.00 0.00 H new ATOM 0 HH11 ARG A 110 24.214 20.983 5.188 1.00 0.00 H new ATOM 0 HH12 ARG A 110 23.856 22.042 3.820 1.00 0.00 H new ATOM 0 HH21 ARG A 110 26.959 21.533 2.292 1.00 0.00 H new ATOM 0 HH22 ARG A 110 25.395 22.350 2.196 1.00 0.00 H new ATOM 1274 N HIS A 111 25.027 22.216 10.366 1.00 0.00 N ATOM 1275 CA HIS A 111 24.238 23.441 10.512 1.00 0.00 C ATOM 1276 C HIS A 111 24.925 24.433 11.446 1.00 0.00 C ATOM 1277 O HIS A 111 24.291 25.362 11.945 1.00 0.00 O ATOM 1278 CB HIS A 111 22.849 23.104 11.060 1.00 0.00 C ATOM 1279 CG HIS A 111 22.057 22.380 10.006 1.00 0.00 C ATOM 1280 ND1 HIS A 111 22.606 21.364 9.237 1.00 0.00 N ATOM 1281 CD2 HIS A 111 20.760 22.513 9.579 1.00 0.00 C ATOM 1282 CE1 HIS A 111 21.650 20.931 8.395 1.00 0.00 C ATOM 1283 NE2 HIS A 111 20.504 21.596 8.563 1.00 0.00 N ATOM 0 H HIS A 111 24.812 21.491 11.051 1.00 0.00 H new ATOM 0 HA HIS A 111 24.146 23.901 9.528 1.00 0.00 H new ATOM 0 HB2 HIS A 111 22.939 22.485 11.952 1.00 0.00 H new ATOM 0 HB3 HIS A 111 22.332 24.017 11.356 1.00 0.00 H new ATOM 0 HD2 HIS A 111 20.046 23.222 9.971 1.00 0.00 H new ATOM 0 HE1 HIS A 111 21.792 20.142 7.671 1.00 0.00 H new ATOM 0 HE2 HIS A 111 19.629 21.461 8.056 1.00 0.00 H new ATOM 1291 N VAL A 112 26.223 24.236 11.674 1.00 0.00 N ATOM 1292 CA VAL A 112 26.996 25.124 12.544 1.00 0.00 C ATOM 1293 C VAL A 112 28.223 25.640 11.807 1.00 0.00 C ATOM 1294 O VAL A 112 28.657 25.058 10.813 1.00 0.00 O ATOM 1295 CB VAL A 112 27.428 24.371 13.804 1.00 0.00 C ATOM 1296 CG1 VAL A 112 26.205 24.114 14.689 1.00 0.00 C ATOM 1297 CG2 VAL A 112 28.053 23.027 13.412 1.00 0.00 C ATOM 0 H VAL A 112 26.762 23.470 11.269 1.00 0.00 H new ATOM 0 HA VAL A 112 26.371 25.971 12.828 1.00 0.00 H new ATOM 0 HB VAL A 112 28.158 24.970 14.348 1.00 0.00 H new ATOM 0 HG11 VAL A 112 26.512 23.578 15.587 1.00 0.00 H new ATOM 0 HG12 VAL A 112 25.754 25.065 14.971 1.00 0.00 H new ATOM 0 HG13 VAL A 112 25.478 23.516 14.140 1.00 0.00 H new ATOM 0 HG21 VAL A 112 28.360 22.492 14.311 1.00 0.00 H new ATOM 0 HG22 VAL A 112 27.321 22.431 12.867 1.00 0.00 H new ATOM 0 HG23 VAL A 112 28.923 23.201 12.779 1.00 0.00 H new ATOM 1307 N LEU A 113 28.764 26.746 12.295 1.00 0.00 N ATOM 1308 CA LEU A 113 29.932 27.356 11.676 1.00 0.00 C ATOM 1309 C LEU A 113 31.137 26.433 11.760 1.00 0.00 C ATOM 1310 O LEU A 113 31.928 26.351 10.822 1.00 0.00 O ATOM 1311 CB LEU A 113 30.248 28.689 12.373 1.00 0.00 C ATOM 1312 CG LEU A 113 29.315 29.789 11.843 1.00 0.00 C ATOM 1313 CD1 LEU A 113 29.645 30.122 10.367 1.00 0.00 C ATOM 1314 CD2 LEU A 113 27.860 29.312 11.962 1.00 0.00 C ATOM 0 H LEU A 113 28.414 27.239 13.116 1.00 0.00 H new ATOM 0 HA LEU A 113 29.711 27.535 10.624 1.00 0.00 H new ATOM 0 HB2 LEU A 113 30.125 28.584 13.451 1.00 0.00 H new ATOM 0 HB3 LEU A 113 31.288 28.965 12.196 1.00 0.00 H new ATOM 0 HG LEU A 113 29.457 30.693 12.435 1.00 0.00 H new ATOM 0 HD11 LEU A 113 28.973 30.903 10.011 1.00 0.00 H new ATOM 0 HD12 LEU A 113 30.676 30.469 10.294 1.00 0.00 H new ATOM 0 HD13 LEU A 113 29.519 29.229 9.755 1.00 0.00 H new ATOM 0 HD21 LEU A 113 27.191 30.087 11.588 1.00 0.00 H new ATOM 0 HD22 LEU A 113 27.726 28.403 11.376 1.00 0.00 H new ATOM 0 HD23 LEU A 113 27.629 29.107 13.007 1.00 0.00 H new ATOM 1326 N ASP A 114 31.282 25.753 12.893 1.00 0.00 N ATOM 1327 CA ASP A 114 32.411 24.844 13.102 1.00 0.00 C ATOM 1328 C ASP A 114 31.920 23.424 13.365 1.00 0.00 C ATOM 1329 O ASP A 114 31.775 23.012 14.517 1.00 0.00 O ATOM 1330 CB ASP A 114 33.243 25.324 14.291 1.00 0.00 C ATOM 1331 CG ASP A 114 34.440 24.402 14.484 1.00 0.00 C ATOM 1332 OD1 ASP A 114 34.224 23.235 14.763 1.00 0.00 O1- ATOM 1333 OD2 ASP A 114 35.555 24.876 14.344 1.00 0.00 O ATOM 0 H ASP A 114 30.636 25.812 13.680 1.00 0.00 H new ATOM 0 HA ASP A 114 33.023 24.840 12.200 1.00 0.00 H new ATOM 0 HB2 ASP A 114 33.582 26.346 14.121 1.00 0.00 H new ATOM 0 HB3 ASP A 114 32.632 25.337 15.194 1.00 0.00 H new ATOM 1338 N PRO A 115 31.665 22.668 12.326 1.00 0.00 N ATOM 1339 CA PRO A 115 31.187 21.258 12.457 1.00 0.00 C ATOM 1340 C PRO A 115 32.149 20.408 13.281 1.00 0.00 C ATOM 1341 O PRO A 115 33.365 20.553 13.178 1.00 0.00 O ATOM 1342 CB PRO A 115 31.121 20.756 10.998 1.00 0.00 C ATOM 1343 CG PRO A 115 31.021 21.992 10.162 1.00 0.00 C ATOM 1344 CD PRO A 115 31.791 23.072 10.917 1.00 0.00 C ATOM 0 HA PRO A 115 30.230 21.194 12.976 1.00 0.00 H new ATOM 0 HB2 PRO A 115 32.008 20.177 10.740 1.00 0.00 H new ATOM 0 HB3 PRO A 115 30.260 20.106 10.844 1.00 0.00 H new ATOM 0 HG2 PRO A 115 31.447 21.829 9.172 1.00 0.00 H new ATOM 0 HG3 PRO A 115 29.980 22.283 10.018 1.00 0.00 H new ATOM 0 HD2 PRO A 115 32.834 23.113 10.604 1.00 0.00 H new ATOM 0 HD3 PRO A 115 31.367 24.061 10.744 1.00 0.00 H new ATOM 1352 N ARG A 116 31.590 19.516 14.097 1.00 0.00 N ATOM 1353 CA ARG A 116 32.403 18.635 14.938 1.00 0.00 C ATOM 1354 C ARG A 116 31.947 17.191 14.791 1.00 0.00 C ATOM 1355 O ARG A 116 30.800 16.858 15.086 1.00 0.00 O ATOM 1356 CB ARG A 116 32.288 19.063 16.401 1.00 0.00 C ATOM 1357 CG ARG A 116 32.981 20.413 16.594 1.00 0.00 C ATOM 1358 CD ARG A 116 32.890 20.827 18.063 1.00 0.00 C ATOM 1359 NE ARG A 116 33.575 22.102 18.271 1.00 0.00 N ATOM 1360 CZ ARG A 116 32.943 23.264 18.124 1.00 0.00 C ATOM 1361 NH1 ARG A 116 31.683 23.287 17.786 1.00 0.00 N ATOM 1362 NH2 ARG A 116 33.587 24.383 18.316 1.00 0.00 N1+ ATOM 0 H ARG A 116 30.583 19.383 14.195 1.00 0.00 H new ATOM 0 HA ARG A 116 33.442 18.710 14.618 1.00 0.00 H new ATOM 0 HB2 ARG A 116 31.239 19.136 16.688 1.00 0.00 H new ATOM 0 HB3 ARG A 116 32.744 18.313 17.047 1.00 0.00 H new ATOM 0 HG2 ARG A 116 34.025 20.345 16.288 1.00 0.00 H new ATOM 0 HG3 ARG A 116 32.513 21.168 15.963 1.00 0.00 H new ATOM 0 HD2 ARG A 116 31.845 20.915 18.360 1.00 0.00 H new ATOM 0 HD3 ARG A 116 33.337 20.058 18.694 1.00 0.00 H new ATOM 0 HE ARG A 116 34.560 22.101 18.535 1.00 0.00 H new ATOM 0 HH11 ARG A 116 31.180 22.413 17.634 1.00 0.00 H new ATOM 0 HH12 ARG A 116 31.201 24.179 17.674 1.00 0.00 H new ATOM 0 HH21 ARG A 116 34.573 24.366 18.578 1.00 0.00 H new ATOM 0 HH22 ARG A 116 33.105 25.275 18.204 1.00 0.00 H new ATOM 1376 N CYS A 117 32.856 16.338 14.333 1.00 0.00 N ATOM 1377 CA CYS A 117 32.542 14.929 14.148 1.00 0.00 C ATOM 1378 C CYS A 117 31.814 14.375 15.368 1.00 0.00 C ATOM 1379 O CYS A 117 32.083 14.778 16.500 1.00 0.00 O ATOM 1380 CB CYS A 117 33.829 14.132 13.910 1.00 0.00 C ATOM 1381 SG CYS A 117 34.870 14.206 15.384 1.00 0.00 S ATOM 0 H CYS A 117 33.811 16.597 14.085 1.00 0.00 H new ATOM 0 HA CYS A 117 31.891 14.834 13.279 1.00 0.00 H new ATOM 0 HB2 CYS A 117 33.588 13.095 13.674 1.00 0.00 H new ATOM 0 HB3 CYS A 117 34.366 14.537 13.053 1.00 0.00 H new ATOM 1386 N GLN A 118 30.886 13.457 15.126 1.00 0.00 N ATOM 1387 CA GLN A 118 30.117 12.858 16.212 1.00 0.00 C ATOM 1388 C GLN A 118 31.042 12.308 17.292 1.00 0.00 C ATOM 1389 O GLN A 118 30.597 11.961 18.386 1.00 0.00 O ATOM 1390 CB GLN A 118 29.224 11.742 15.670 1.00 0.00 C ATOM 1391 CG GLN A 118 30.043 10.808 14.774 1.00 0.00 C ATOM 1392 CD GLN A 118 29.127 9.807 14.083 1.00 0.00 C ATOM 1393 OE1 GLN A 118 27.879 10.120 13.863 1.00 0.00 O flip ATOM 1394 NE2 GLN A 118 29.562 8.712 13.727 1.00 0.00 N flip ATOM 0 H GLN A 118 30.648 13.113 14.196 1.00 0.00 H new ATOM 0 HA GLN A 118 29.492 13.632 16.656 1.00 0.00 H new ATOM 0 HB2 GLN A 118 28.789 11.179 16.496 1.00 0.00 H new ATOM 0 HB3 GLN A 118 28.396 12.169 15.104 1.00 0.00 H new ATOM 0 HG2 GLN A 118 30.586 11.390 14.029 1.00 0.00 H new ATOM 0 HG3 GLN A 118 30.787 10.280 15.370 1.00 0.00 H new ATOM 0 HE21 GLN A 118 30.538 8.470 13.900 1.00 0.00 H new ATOM 0 HE22 GLN A 118 28.947 8.047 13.259 1.00 0.00 H new ATOM 1403 N ILE A 119 32.331 12.241 16.985 1.00 0.00 N ATOM 1404 CA ILE A 119 33.318 11.743 17.943 1.00 0.00 C ATOM 1405 C ILE A 119 33.837 12.882 18.816 1.00 0.00 C ATOM 1406 O ILE A 119 34.051 12.706 20.015 1.00 0.00 O ATOM 1407 CB ILE A 119 34.477 11.085 17.194 1.00 0.00 C ATOM 1408 CG1 ILE A 119 33.927 10.039 16.208 1.00 0.00 C ATOM 1409 CG2 ILE A 119 35.422 10.413 18.191 1.00 0.00 C ATOM 1410 CD1 ILE A 119 33.051 9.010 16.941 1.00 0.00 C ATOM 0 H ILE A 119 32.719 12.523 16.085 1.00 0.00 H new ATOM 0 HA ILE A 119 32.841 11.004 18.588 1.00 0.00 H new ATOM 0 HB ILE A 119 35.027 11.846 16.640 1.00 0.00 H new ATOM 0 HG12 ILE A 119 33.343 10.535 15.432 1.00 0.00 H new ATOM 0 HG13 ILE A 119 34.753 9.532 15.710 1.00 0.00 H new ATOM 0 HG21 ILE A 119 36.246 9.945 17.653 1.00 0.00 H new ATOM 0 HG22 ILE A 119 35.816 11.161 18.880 1.00 0.00 H new ATOM 0 HG23 ILE A 119 34.878 9.653 18.753 1.00 0.00 H new ATOM 0 HD11 ILE A 119 32.672 8.280 16.226 1.00 0.00 H new ATOM 0 HD12 ILE A 119 33.645 8.501 17.700 1.00 0.00 H new ATOM 0 HD13 ILE A 119 32.213 9.519 17.418 1.00 0.00 H new ATOM 1422 N CYS A 120 34.044 14.046 18.208 1.00 0.00 N ATOM 1423 CA CYS A 120 34.540 15.209 18.943 1.00 0.00 C ATOM 1424 C CYS A 120 33.486 15.732 19.912 1.00 0.00 C ATOM 1425 O CYS A 120 33.814 16.225 20.991 1.00 0.00 O ATOM 1426 CB CYS A 120 34.966 16.322 17.963 1.00 0.00 C ATOM 1427 SG CYS A 120 36.686 16.054 17.487 1.00 0.00 S ATOM 0 H CYS A 120 33.878 14.211 17.215 1.00 0.00 H new ATOM 0 HA CYS A 120 35.410 14.899 19.522 1.00 0.00 H new ATOM 0 HB2 CYS A 120 34.325 16.314 17.081 1.00 0.00 H new ATOM 0 HB3 CYS A 120 34.852 17.300 18.431 1.00 0.00 H new ATOM 1432 N VAL A 121 32.222 15.619 19.526 1.00 0.00 N ATOM 1433 CA VAL A 121 31.132 16.081 20.376 1.00 0.00 C ATOM 1434 C VAL A 121 30.913 15.121 21.543 1.00 0.00 C ATOM 1435 O VAL A 121 30.663 15.546 22.670 1.00 0.00 O ATOM 1436 CB VAL A 121 29.849 16.203 19.556 1.00 0.00 C ATOM 1437 CG1 VAL A 121 30.134 17.017 18.292 1.00 0.00 C ATOM 1438 CG2 VAL A 121 29.357 14.810 19.160 1.00 0.00 C ATOM 0 H VAL A 121 31.927 15.215 18.637 1.00 0.00 H new ATOM 0 HA VAL A 121 31.398 17.059 20.778 1.00 0.00 H new ATOM 0 HB VAL A 121 29.084 16.701 20.151 1.00 0.00 H new ATOM 0 HG11 VAL A 121 29.221 17.107 17.703 1.00 0.00 H new ATOM 0 HG12 VAL A 121 30.485 18.011 18.571 1.00 0.00 H new ATOM 0 HG13 VAL A 121 30.899 16.514 17.700 1.00 0.00 H new ATOM 0 HG21 VAL A 121 28.442 14.900 18.575 1.00 0.00 H new ATOM 0 HG22 VAL A 121 30.121 14.310 18.564 1.00 0.00 H new ATOM 0 HG23 VAL A 121 29.158 14.226 20.058 1.00 0.00 H new ATOM 1448 N HIS A 122 31.006 13.824 21.260 1.00 0.00 N ATOM 1449 CA HIS A 122 30.812 12.808 22.287 1.00 0.00 C ATOM 1450 C HIS A 122 31.868 12.931 23.376 1.00 0.00 C ATOM 1451 O HIS A 122 31.890 12.143 24.321 1.00 0.00 O ATOM 1452 CB HIS A 122 30.881 11.412 21.668 1.00 0.00 C ATOM 1453 CG HIS A 122 30.654 10.378 22.737 1.00 0.00 C ATOM 1454 ND1 HIS A 122 31.510 9.303 22.921 1.00 0.00 N ATOM 1455 CD2 HIS A 122 29.674 10.243 23.689 1.00 0.00 C ATOM 1456 CE1 HIS A 122 31.034 8.575 23.946 1.00 0.00 C ATOM 1457 NE2 HIS A 122 29.916 9.104 24.453 1.00 0.00 N ATOM 0 H HIS A 122 31.214 13.455 20.332 1.00 0.00 H new ATOM 0 HA HIS A 122 29.828 12.961 22.731 1.00 0.00 H new ATOM 0 HB2 HIS A 122 30.129 11.312 20.885 1.00 0.00 H new ATOM 0 HB3 HIS A 122 31.853 11.258 21.199 1.00 0.00 H new ATOM 0 HD2 HIS A 122 28.842 10.918 23.825 1.00 0.00 H new ATOM 0 HE1 HIS A 122 31.498 7.672 24.315 1.00 0.00 H new ATOM 0 HE2 HIS A 122 29.360 8.750 25.231 1.00 0.00 H new ATOM 1465 N SER A 123 32.744 13.925 23.240 1.00 0.00 N ATOM 1466 CA SER A 123 33.811 14.151 24.221 1.00 0.00 C ATOM 1467 C SER A 123 33.778 15.588 24.726 1.00 0.00 C ATOM 1468 O SER A 123 33.661 15.830 25.927 1.00 0.00 O ATOM 1469 CB SER A 123 35.168 13.867 23.578 1.00 0.00 C ATOM 1470 OG SER A 123 35.316 12.465 23.397 1.00 0.00 O ATOM 0 H SER A 123 32.739 14.586 22.464 1.00 0.00 H new ATOM 0 HA SER A 123 33.656 13.479 25.065 1.00 0.00 H new ATOM 0 HB2 SER A 123 35.244 14.379 22.619 1.00 0.00 H new ATOM 0 HB3 SER A 123 35.970 14.251 24.209 1.00 0.00 H new ATOM 0 HG SER A 123 36.185 12.278 22.983 1.00 0.00 H new ATOM 1476 N GLN A 124 33.886 16.541 23.802 1.00 0.00 N ATOM 1477 CA GLN A 124 33.874 17.958 24.165 1.00 0.00 C ATOM 1478 C GLN A 124 32.484 18.546 23.991 1.00 0.00 C ATOM 1479 O GLN A 124 32.350 19.734 23.701 1.00 0.00 O ATOM 1480 CB GLN A 124 34.855 18.731 23.283 1.00 0.00 C ATOM 1481 CG GLN A 124 36.269 18.188 23.490 1.00 0.00 C ATOM 1482 CD GLN A 124 36.719 18.435 24.925 1.00 0.00 C ATOM 1483 OE1 GLN A 124 36.654 19.564 25.411 1.00 0.00 O ATOM 1484 NE2 GLN A 124 37.172 17.440 25.637 1.00 0.00 N ATOM 0 H GLN A 124 33.982 16.360 22.803 1.00 0.00 H new ATOM 0 HA GLN A 124 34.169 18.043 25.211 1.00 0.00 H new ATOM 0 HB2 GLN A 124 34.569 18.638 22.235 1.00 0.00 H new ATOM 0 HB3 GLN A 124 34.823 19.792 23.529 1.00 0.00 H new ATOM 0 HG2 GLN A 124 36.293 17.120 23.272 1.00 0.00 H new ATOM 0 HG3 GLN A 124 36.958 18.671 22.796 1.00 0.00 H new ATOM 0 HE21 GLN A 124 37.225 16.505 25.232 1.00 0.00 H new ATOM 0 HE22 GLN A 124 37.473 17.597 26.599 1.00 0.00 H new ATOM 1493 N ARG A 125 31.456 17.706 24.170 1.00 0.00 N ATOM 1494 CA ARG A 125 30.062 18.143 24.035 1.00 0.00 C ATOM 1495 C ARG A 125 29.937 19.269 23.006 1.00 0.00 C ATOM 1496 O ARG A 125 30.027 19.034 21.800 1.00 0.00 O ATOM 1497 CB ARG A 125 29.531 18.609 25.401 1.00 0.00 C ATOM 1498 CG ARG A 125 30.639 19.348 26.159 1.00 0.00 C ATOM 1499 CD ARG A 125 30.076 19.918 27.457 1.00 0.00 C ATOM 1500 NE ARG A 125 29.626 18.840 28.327 1.00 0.00 N ATOM 1501 CZ ARG A 125 28.990 19.097 29.463 1.00 0.00 C ATOM 1502 NH1 ARG A 125 28.766 20.334 29.819 1.00 0.00 N ATOM 1503 NH2 ARG A 125 28.590 18.115 30.224 1.00 0.00 N1+ ATOM 0 H ARG A 125 31.564 16.720 24.409 1.00 0.00 H new ATOM 0 HA ARG A 125 29.467 17.300 23.685 1.00 0.00 H new ATOM 0 HB2 ARG A 125 28.671 19.265 25.264 1.00 0.00 H new ATOM 0 HB3 ARG A 125 29.189 17.752 25.981 1.00 0.00 H new ATOM 0 HG2 ARG A 125 31.462 18.667 26.375 1.00 0.00 H new ATOM 0 HG3 ARG A 125 31.043 20.151 25.542 1.00 0.00 H new ATOM 0 HD2 ARG A 125 30.838 20.510 27.964 1.00 0.00 H new ATOM 0 HD3 ARG A 125 29.245 20.589 27.238 1.00 0.00 H new ATOM 0 HE ARG A 125 29.803 17.872 28.059 1.00 0.00 H new ATOM 0 HH11 ARG A 125 29.080 21.101 29.224 1.00 0.00 H new ATOM 0 HH12 ARG A 125 28.277 20.533 30.692 1.00 0.00 H new ATOM 0 HH21 ARG A 125 28.766 17.150 29.946 1.00 0.00 H new ATOM 0 HH22 ARG A 125 28.101 18.313 31.097 1.00 0.00 H new ATOM 1517 N ASN A 126 29.747 20.492 23.495 1.00 0.00 N ATOM 1518 CA ASN A 126 29.629 21.662 22.625 1.00 0.00 C ATOM 1519 C ASN A 126 30.868 22.542 22.760 1.00 0.00 C ATOM 1520 O ASN A 126 31.698 22.239 23.603 1.00 0.00 O ATOM 1521 CB ASN A 126 28.389 22.465 23.006 1.00 0.00 C ATOM 1522 CG ASN A 126 27.137 21.713 22.571 1.00 0.00 C ATOM 1523 OD1 ASN A 126 27.214 20.801 21.748 1.00 0.00 O ATOM 1524 ND2 ASN A 126 25.979 22.044 23.076 1.00 0.00 N ATOM 1525 OXT ASN A 126 30.971 23.503 22.018 1.00 0.00 O ATOM 0 H ASN A 126 29.671 20.700 24.491 1.00 0.00 H new ATOM 0 HA ASN A 126 29.540 21.326 21.592 1.00 0.00 H new ATOM 0 HB2 ASN A 126 28.369 22.632 24.083 1.00 0.00 H new ATOM 0 HB3 ASN A 126 28.419 23.446 22.532 1.00 0.00 H new ATOM 0 HD21 ASN A 126 25.136 21.546 22.789 1.00 0.00 H new ATOM 0 HD22 ASN A 126 25.917 22.800 23.758 1.00 0.00 H new TER 1532 ASN A 126 HETATM 1533 ZN ZN A 300 20.048 8.786 -13.225 1.00 0.00 ZN HETATM 1534 ZN ZN A 301 36.695 15.622 15.275 1.00 0.00 ZN