USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 639 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: B 3 TYR OH : rot -20:sc= 0.549 USER MOD Set 1.2: B 10 SER OG : rot 180:sc= 0 USER MOD Set 2.1: B 6 SER OG : rot -71:sc= 0.837 USER MOD Set 2.2: B 7 SER OG : rot 180:sc= 0.386 USER MOD Set 3.1: A 70 LYS NZ :NH3+ 150:sc= -0.353 (180deg=-1.9!) USER MOD Set 3.2: A 71 GLN :FLIP amide:sc= -0.105 F(o=-1.7,f=-0.46) USER MOD Set 4.1: A 61 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 62 THR OG1 : rot 180:sc= 0.0118 USER MOD Set 5.1: A 5 THR OG1 : rot -37:sc= -2.16! USER MOD Set 5.2: A 8 THR OG1 : rot -143:sc= 0.0542 USER MOD Single : A 1 ILE N :NH3+ 146:sc= -1.05 (180deg=-1.68!) USER MOD Single : A 4 HIS :FLIP no HD1:sc= -12.9! C(o=-14!,f=-13!) USER MOD Single : A 6 THR OG1 : rot -65:sc= -4.94! USER MOD Single : A 9 SER OG : rot 180:sc= -0.371 USER MOD Single : A 12 SER OG : rot 180:sc= -1.52 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.348 USER MOD Single : A 21 ASN :FLIP amide:sc= -0.0253 F(o=-1.7,f=-0.025) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -146:sc= -1.51 (180deg=-3.55!) USER MOD Single : A 34 SER OG : rot -170:sc= -0.226 USER MOD Single : A 35 SER OG : rot 180:sc= 0.09 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -52:sc= 0.00102 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 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -1.57! USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -8.9! C(o=-8.9!,f=-12!) USER MOD Single : A 68 HIS : no HD1:sc= -9.59! C(o=-9.6!,f=-14!) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -125:sc= 0.0407 (180deg=-0.373) USER MOD Single : B 4 TYR OH : rot 180:sc= -4.54! USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 TYR OH : rot -118:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 9.433 13.612 -0.861 1.00 0.00 N ATOM 2 CA ILE A 1 8.091 13.900 -1.446 1.00 0.00 C ATOM 3 C ILE A 1 6.993 13.258 -0.594 1.00 0.00 C ATOM 4 O ILE A 1 7.246 12.748 0.480 1.00 0.00 O ATOM 5 CB ILE A 1 8.124 13.270 -2.838 1.00 0.00 C ATOM 6 CG1 ILE A 1 8.668 11.843 -2.737 1.00 0.00 C ATOM 7 CG2 ILE A 1 9.030 14.098 -3.751 1.00 0.00 C ATOM 8 CD1 ILE A 1 8.289 11.062 -3.996 1.00 0.00 C ATOM 0 H1 ILE A 1 10.130 13.509 -1.626 1.00 0.00 H new ATOM 0 H2 ILE A 1 9.715 14.395 -0.238 1.00 0.00 H new ATOM 0 H3 ILE A 1 9.390 12.730 -0.311 1.00 0.00 H new ATOM 0 HA ILE A 1 7.878 14.968 -1.485 1.00 0.00 H new ATOM 0 HB ILE A 1 7.116 13.247 -3.252 1.00 0.00 H new ATOM 0 HG12 ILE A 1 9.752 11.863 -2.621 1.00 0.00 H new ATOM 0 HG13 ILE A 1 8.262 11.349 -1.854 1.00 0.00 H new ATOM 0 HG21 ILE A 1 9.054 13.649 -4.744 1.00 0.00 H new ATOM 0 HG22 ILE A 1 8.644 15.115 -3.822 1.00 0.00 H new ATOM 0 HG23 ILE A 1 10.039 14.121 -3.339 1.00 0.00 H new ATOM 0 HD11 ILE A 1 8.676 10.046 -3.924 1.00 0.00 H new ATOM 0 HD12 ILE A 1 7.204 11.031 -4.092 1.00 0.00 H new ATOM 0 HD13 ILE A 1 8.716 11.552 -4.871 1.00 0.00 H new ATOM 22 N VAL A 2 5.777 13.278 -1.064 1.00 0.00 N ATOM 23 CA VAL A 2 4.665 12.668 -0.280 1.00 0.00 C ATOM 24 C VAL A 2 4.225 11.357 -0.923 1.00 0.00 C ATOM 25 O VAL A 2 4.412 11.136 -2.102 1.00 0.00 O ATOM 26 CB VAL A 2 3.528 13.678 -0.339 1.00 0.00 C ATOM 27 CG1 VAL A 2 2.491 13.346 0.730 1.00 0.00 C ATOM 28 CG2 VAL A 2 4.076 15.083 -0.097 1.00 0.00 C ATOM 0 H VAL A 2 5.504 13.690 -1.956 1.00 0.00 H new ATOM 0 HA VAL A 2 4.966 12.447 0.744 1.00 0.00 H new ATOM 0 HB VAL A 2 3.061 13.636 -1.323 1.00 0.00 H new ATOM 0 HG11 VAL A 2 1.678 14.071 0.686 1.00 0.00 H new ATOM 0 HG12 VAL A 2 2.095 12.346 0.555 1.00 0.00 H new ATOM 0 HG13 VAL A 2 2.958 13.384 1.714 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.260 15.804 -0.140 1.00 0.00 H new ATOM 0 HG22 VAL A 2 4.547 15.126 0.885 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.813 15.323 -0.863 1.00 0.00 H new ATOM 38 N CYS A 3 3.645 10.485 -0.153 1.00 0.00 N ATOM 39 CA CYS A 3 3.196 9.183 -0.708 1.00 0.00 C ATOM 40 C CYS A 3 1.852 8.783 -0.112 1.00 0.00 C ATOM 41 O CYS A 3 1.501 9.195 0.971 1.00 0.00 O ATOM 42 CB CYS A 3 4.262 8.197 -0.278 1.00 0.00 C ATOM 43 SG CYS A 3 5.900 8.905 -0.578 1.00 0.00 S ATOM 0 H CYS A 3 3.462 10.619 0.841 1.00 0.00 H new ATOM 0 HA CYS A 3 3.068 9.221 -1.790 1.00 0.00 H new ATOM 0 HB2 CYS A 3 4.146 7.958 0.779 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.152 7.263 -0.829 1.00 0.00 H new ATOM 48 N HIS A 4 1.115 7.954 -0.796 1.00 0.00 N ATOM 49 CA HIS A 4 -0.204 7.513 -0.253 1.00 0.00 C ATOM 50 C HIS A 4 -0.007 6.304 0.640 1.00 0.00 C ATOM 51 O HIS A 4 0.876 5.502 0.414 1.00 0.00 O ATOM 52 CB HIS A 4 -1.050 7.129 -1.451 1.00 0.00 C ATOM 53 CG HIS A 4 -0.863 8.126 -2.565 1.00 0.00 C ATOM 54 ND1 HIS A 4 -0.617 7.983 -3.911 1.00 0.00 N flip ATOM 55 CD2 HIS A 4 -0.939 9.488 -2.340 1.00 0.00 C flip ATOM 56 CE1 HIS A 4 -0.541 9.238 -4.508 1.00 0.00 C flip ATOM 57 NE2 HIS A 4 -0.742 10.109 -3.517 1.00 0.00 N flip ATOM 0 H HIS A 4 1.365 7.563 -1.704 1.00 0.00 H new ATOM 0 HA HIS A 4 -0.678 8.299 0.335 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -0.773 6.133 -1.796 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -2.101 7.087 -1.164 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -1.123 9.967 -1.390 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -0.359 9.459 -5.549 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -0.746 11.122 -3.637 1.00 0.00 H new ATOM 65 N THR A 5 -0.809 6.142 1.650 1.00 0.00 N ATOM 66 CA THR A 5 -0.614 4.961 2.512 1.00 0.00 C ATOM 67 C THR A 5 -1.863 4.101 2.523 1.00 0.00 C ATOM 68 O THR A 5 -2.885 4.441 3.087 1.00 0.00 O ATOM 69 CB THR A 5 -0.315 5.468 3.914 1.00 0.00 C ATOM 70 OG1 THR A 5 -1.490 5.390 4.699 1.00 0.00 O ATOM 71 CG2 THR A 5 0.204 6.911 3.890 1.00 0.00 C ATOM 0 H THR A 5 -1.575 6.764 1.909 1.00 0.00 H new ATOM 0 HA THR A 5 0.207 4.348 2.139 1.00 0.00 H new ATOM 0 HB THR A 5 0.465 4.842 4.348 1.00 0.00 H new ATOM 0 HG1 THR A 5 -2.268 5.615 4.147 1.00 0.00 H new ATOM 0 HG21 THR A 5 0.408 7.241 4.909 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.121 6.958 3.303 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.548 7.561 3.441 1.00 0.00 H new ATOM 79 N THR A 6 -1.758 2.976 1.927 1.00 0.00 N ATOM 80 CA THR A 6 -2.892 2.021 1.906 1.00 0.00 C ATOM 81 C THR A 6 -2.740 1.061 3.085 1.00 0.00 C ATOM 82 O THR A 6 -3.629 0.305 3.412 1.00 0.00 O ATOM 83 CB THR A 6 -2.764 1.275 0.578 1.00 0.00 C ATOM 84 OG1 THR A 6 -1.459 1.463 0.052 1.00 0.00 O ATOM 85 CG2 THR A 6 -3.793 1.824 -0.407 1.00 0.00 C ATOM 0 H THR A 6 -0.921 2.658 1.438 1.00 0.00 H new ATOM 0 HA THR A 6 -3.865 2.506 1.991 1.00 0.00 H new ATOM 0 HB THR A 6 -2.939 0.211 0.738 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.329 2.409 -0.171 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.706 1.295 -1.356 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.795 1.682 -0.003 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.613 2.887 -0.566 1.00 0.00 H new ATOM 93 N ALA A 7 -1.595 1.075 3.709 1.00 0.00 N ATOM 94 CA ALA A 7 -1.351 0.156 4.849 1.00 0.00 C ATOM 95 C ALA A 7 -1.720 0.802 6.189 1.00 0.00 C ATOM 96 O ALA A 7 -1.477 0.242 7.240 1.00 0.00 O ATOM 97 CB ALA A 7 0.141 -0.161 4.774 1.00 0.00 C ATOM 0 H ALA A 7 -0.815 1.689 3.475 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.967 -0.741 4.787 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.410 -0.838 5.584 1.00 0.00 H new ATOM 0 HB2 ALA A 7 0.365 -0.633 3.817 1.00 0.00 H new ATOM 0 HB3 ALA A 7 0.714 0.762 4.867 1.00 0.00 H new ATOM 103 N THR A 8 -2.320 1.958 6.170 1.00 0.00 N ATOM 104 CA THR A 8 -2.713 2.603 7.457 1.00 0.00 C ATOM 105 C THR A 8 -4.201 2.341 7.710 1.00 0.00 C ATOM 106 O THR A 8 -4.620 1.206 7.829 1.00 0.00 O ATOM 107 CB THR A 8 -2.434 4.097 7.268 1.00 0.00 C ATOM 108 OG1 THR A 8 -3.222 4.601 6.197 1.00 0.00 O ATOM 109 CG2 THR A 8 -0.950 4.304 6.959 1.00 0.00 C ATOM 0 H THR A 8 -2.555 2.483 5.327 1.00 0.00 H new ATOM 0 HA THR A 8 -2.164 2.214 8.314 1.00 0.00 H new ATOM 0 HB THR A 8 -2.691 4.631 8.183 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.706 5.266 5.696 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.751 5.367 6.824 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.350 3.924 7.786 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.690 3.768 6.046 1.00 0.00 H new ATOM 117 N SER A 9 -5.012 3.361 7.782 1.00 0.00 N ATOM 118 CA SER A 9 -6.462 3.119 8.010 1.00 0.00 C ATOM 119 C SER A 9 -7.262 3.496 6.757 1.00 0.00 C ATOM 120 O SER A 9 -8.012 2.689 6.248 1.00 0.00 O ATOM 121 CB SER A 9 -6.850 3.996 9.202 1.00 0.00 C ATOM 122 OG SER A 9 -5.675 4.527 9.800 1.00 0.00 O ATOM 0 H SER A 9 -4.737 4.339 7.694 1.00 0.00 H new ATOM 0 HA SER A 9 -6.675 2.070 8.214 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.502 4.806 8.875 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.410 3.411 9.931 1.00 0.00 H new ATOM 0 HG SER A 9 -5.922 5.090 10.563 1.00 0.00 H new ATOM 128 N PRO A 10 -7.092 4.712 6.297 1.00 0.00 N ATOM 129 CA PRO A 10 -7.815 5.180 5.104 1.00 0.00 C ATOM 130 C PRO A 10 -6.925 5.099 3.841 1.00 0.00 C ATOM 131 O PRO A 10 -6.815 4.066 3.211 1.00 0.00 O ATOM 132 CB PRO A 10 -8.110 6.634 5.472 1.00 0.00 C ATOM 133 CG PRO A 10 -7.031 7.029 6.455 1.00 0.00 C ATOM 134 CD PRO A 10 -6.254 5.781 6.825 1.00 0.00 C ATOM 0 HA PRO A 10 -8.701 4.591 4.866 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.090 7.274 4.590 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -9.101 6.733 5.916 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -6.368 7.774 6.014 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -7.472 7.481 7.344 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.260 5.775 6.377 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -6.118 5.694 7.903 1.00 0.00 H new ATOM 142 N ILE A 11 -6.309 6.200 3.471 1.00 0.00 N ATOM 143 CA ILE A 11 -5.449 6.280 2.272 1.00 0.00 C ATOM 144 C ILE A 11 -5.211 7.761 1.999 1.00 0.00 C ATOM 145 O ILE A 11 -6.142 8.525 1.841 1.00 0.00 O ATOM 146 CB ILE A 11 -6.256 5.617 1.155 1.00 0.00 C ATOM 147 CG1 ILE A 11 -5.435 4.439 0.613 1.00 0.00 C ATOM 148 CG2 ILE A 11 -6.571 6.613 0.022 1.00 0.00 C ATOM 149 CD1 ILE A 11 -5.815 4.143 -0.844 1.00 0.00 C ATOM 0 H ILE A 11 -6.380 7.079 3.984 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.481 5.789 2.372 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.210 5.270 1.553 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.372 4.669 0.678 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.608 3.555 1.227 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.145 6.110 -0.756 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.151 7.446 0.420 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.640 6.989 -0.401 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.223 3.305 -1.211 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.874 3.891 -0.900 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.618 5.023 -1.457 1.00 0.00 H new ATOM 161 N SER A 12 -3.996 8.181 1.957 1.00 0.00 N ATOM 162 CA SER A 12 -3.749 9.625 1.711 1.00 0.00 C ATOM 163 C SER A 12 -2.272 9.877 1.478 1.00 0.00 C ATOM 164 O SER A 12 -1.423 9.160 1.973 1.00 0.00 O ATOM 165 CB SER A 12 -4.218 10.329 2.983 1.00 0.00 C ATOM 166 OG SER A 12 -3.128 10.434 3.891 1.00 0.00 O ATOM 0 H SER A 12 -3.165 7.603 2.080 1.00 0.00 H new ATOM 0 HA SER A 12 -4.273 9.986 0.826 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.603 11.320 2.743 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.035 9.772 3.441 1.00 0.00 H new ATOM 0 HG SER A 12 -3.425 10.887 4.708 1.00 0.00 H new ATOM 172 N ALA A 13 -1.959 10.894 0.730 1.00 0.00 N ATOM 173 CA ALA A 13 -0.535 11.196 0.463 1.00 0.00 C ATOM 174 C ALA A 13 0.064 12.003 1.600 1.00 0.00 C ATOM 175 O ALA A 13 -0.029 13.214 1.627 1.00 0.00 O ATOM 176 CB ALA A 13 -0.521 12.031 -0.799 1.00 0.00 C ATOM 0 H ALA A 13 -2.629 11.527 0.294 1.00 0.00 H new ATOM 0 HA ALA A 13 0.047 10.280 0.363 1.00 0.00 H new ATOM 0 HB1 ALA A 13 0.507 12.289 -1.053 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.965 11.463 -1.616 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.095 12.943 -0.638 1.00 0.00 H new ATOM 182 N VAL A 14 0.697 11.362 2.527 1.00 0.00 N ATOM 183 CA VAL A 14 1.317 12.130 3.629 1.00 0.00 C ATOM 184 C VAL A 14 2.828 12.061 3.494 1.00 0.00 C ATOM 185 O VAL A 14 3.398 11.052 3.121 1.00 0.00 O ATOM 186 CB VAL A 14 0.850 11.501 4.956 1.00 0.00 C ATOM 187 CG1 VAL A 14 -0.494 10.811 4.762 1.00 0.00 C ATOM 188 CG2 VAL A 14 1.884 10.486 5.462 1.00 0.00 C ATOM 0 H VAL A 14 0.813 10.350 2.572 1.00 0.00 H new ATOM 0 HA VAL A 14 1.023 13.179 3.600 1.00 0.00 H new ATOM 0 HB VAL A 14 0.744 12.294 5.696 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.816 10.369 5.705 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.233 11.541 4.432 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.396 10.028 4.010 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.538 10.051 6.400 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.011 9.696 4.721 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.838 10.988 5.625 1.00 0.00 H new ATOM 198 N THR A 15 3.466 13.129 3.800 1.00 0.00 N ATOM 199 CA THR A 15 4.948 13.166 3.719 1.00 0.00 C ATOM 200 C THR A 15 5.546 12.239 4.784 1.00 0.00 C ATOM 201 O THR A 15 5.115 12.230 5.920 1.00 0.00 O ATOM 202 CB THR A 15 5.307 14.611 4.025 1.00 0.00 C ATOM 203 OG1 THR A 15 4.507 15.476 3.230 1.00 0.00 O ATOM 204 CG2 THR A 15 6.785 14.844 3.715 1.00 0.00 C ATOM 0 H THR A 15 3.029 13.997 4.109 1.00 0.00 H new ATOM 0 HA THR A 15 5.327 12.839 2.751 1.00 0.00 H new ATOM 0 HB THR A 15 5.123 14.818 5.079 1.00 0.00 H new ATOM 0 HG1 THR A 15 4.737 16.408 3.428 1.00 0.00 H new ATOM 0 HG21 THR A 15 7.044 15.880 3.934 1.00 0.00 H new ATOM 0 HG22 THR A 15 7.394 14.180 4.328 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.973 14.638 2.661 1.00 0.00 H new ATOM 212 N CYS A 16 6.534 11.464 4.433 1.00 0.00 N ATOM 213 CA CYS A 16 7.148 10.548 5.439 1.00 0.00 C ATOM 214 C CYS A 16 8.505 11.098 5.894 1.00 0.00 C ATOM 215 O CYS A 16 9.360 11.384 5.080 1.00 0.00 O ATOM 216 CB CYS A 16 7.324 9.217 4.708 1.00 0.00 C ATOM 217 SG CYS A 16 5.796 8.254 4.835 1.00 0.00 S ATOM 0 H CYS A 16 6.942 11.424 3.499 1.00 0.00 H new ATOM 0 HA CYS A 16 6.533 10.442 6.333 1.00 0.00 H new ATOM 0 HB2 CYS A 16 7.569 9.394 3.661 1.00 0.00 H new ATOM 0 HB3 CYS A 16 8.155 8.659 5.140 1.00 0.00 H new ATOM 222 N PRO A 17 8.657 11.230 7.187 1.00 0.00 N ATOM 223 CA PRO A 17 9.923 11.754 7.750 1.00 0.00 C ATOM 224 C PRO A 17 11.085 10.741 7.641 1.00 0.00 C ATOM 225 O PRO A 17 12.221 11.152 7.505 1.00 0.00 O ATOM 226 CB PRO A 17 9.572 12.076 9.201 1.00 0.00 C ATOM 227 CG PRO A 17 8.391 11.220 9.531 1.00 0.00 C ATOM 228 CD PRO A 17 7.676 10.911 8.234 1.00 0.00 C ATOM 0 HA PRO A 17 10.286 12.625 7.205 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.410 11.860 9.864 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.335 13.133 9.321 1.00 0.00 H new ATOM 0 HG2 PRO A 17 8.709 10.300 10.022 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.725 11.736 10.222 1.00 0.00 H new ATOM 0 HD2 PRO A 17 7.372 9.865 8.188 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.772 11.510 8.127 1.00 0.00 H new ATOM 236 N PRO A 18 10.796 9.457 7.683 1.00 0.00 N ATOM 237 CA PRO A 18 11.882 8.454 7.562 1.00 0.00 C ATOM 238 C PRO A 18 12.282 8.337 6.090 1.00 0.00 C ATOM 239 O PRO A 18 12.068 9.250 5.318 1.00 0.00 O ATOM 240 CB PRO A 18 11.241 7.163 8.058 1.00 0.00 C ATOM 241 CG PRO A 18 9.774 7.338 7.827 1.00 0.00 C ATOM 242 CD PRO A 18 9.481 8.818 7.840 1.00 0.00 C ATOM 0 HA PRO A 18 12.783 8.704 8.123 1.00 0.00 H new ATOM 0 HB2 PRO A 18 11.625 6.299 7.515 1.00 0.00 H new ATOM 0 HB3 PRO A 18 11.456 6.997 9.114 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.482 6.899 6.873 1.00 0.00 H new ATOM 0 HG3 PRO A 18 9.201 6.828 8.602 1.00 0.00 H new ATOM 0 HD2 PRO A 18 8.806 9.096 7.031 1.00 0.00 H new ATOM 0 HD3 PRO A 18 9.002 9.119 8.772 1.00 0.00 H new ATOM 250 N GLY A 19 12.839 7.229 5.678 1.00 0.00 N ATOM 251 CA GLY A 19 13.207 7.094 4.240 1.00 0.00 C ATOM 252 C GLY A 19 12.013 7.562 3.409 1.00 0.00 C ATOM 253 O GLY A 19 10.902 7.108 3.604 1.00 0.00 O ATOM 0 H GLY A 19 13.052 6.423 6.266 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.089 7.693 4.013 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.455 6.059 4.004 1.00 0.00 H new ATOM 257 N GLU A 20 12.209 8.490 2.517 1.00 0.00 N ATOM 258 CA GLU A 20 11.049 8.996 1.732 1.00 0.00 C ATOM 259 C GLU A 20 11.497 9.801 0.511 1.00 0.00 C ATOM 260 O GLU A 20 10.783 10.665 0.043 1.00 0.00 O ATOM 261 CB GLU A 20 10.329 9.916 2.706 1.00 0.00 C ATOM 262 CG GLU A 20 11.349 10.906 3.270 1.00 0.00 C ATOM 263 CD GLU A 20 11.071 12.301 2.709 1.00 0.00 C ATOM 264 OE1 GLU A 20 10.457 12.384 1.658 1.00 0.00 O ATOM 265 OE2 GLU A 20 11.478 13.264 3.339 1.00 0.00 O ATOM 0 H GLU A 20 13.110 8.916 2.298 1.00 0.00 H new ATOM 0 HA GLU A 20 10.433 8.181 1.352 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.522 10.447 2.201 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.875 9.338 3.511 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.292 10.922 4.358 1.00 0.00 H new ATOM 0 HG3 GLU A 20 12.359 10.592 3.008 1.00 0.00 H new ATOM 272 N ASN A 21 12.650 9.530 -0.026 1.00 0.00 N ATOM 273 CA ASN A 21 13.083 10.295 -1.225 1.00 0.00 C ATOM 274 C ASN A 21 12.192 9.904 -2.407 1.00 0.00 C ATOM 275 O ASN A 21 12.239 10.500 -3.465 1.00 0.00 O ATOM 276 CB ASN A 21 14.534 9.879 -1.462 1.00 0.00 C ATOM 277 CG ASN A 21 15.368 10.228 -0.227 1.00 0.00 C ATOM 278 OD1 ASN A 21 15.561 9.322 0.692 1.00 0.00 O flip ATOM 279 ND2 ASN A 21 15.849 11.336 -0.098 1.00 0.00 N flip ATOM 0 H ASN A 21 13.304 8.822 0.307 1.00 0.00 H new ATOM 0 HA ASN A 21 13.004 11.375 -1.100 1.00 0.00 H new ATOM 0 HB2 ASN A 21 14.590 8.809 -1.662 1.00 0.00 H new ATOM 0 HB3 ASN A 21 14.932 10.389 -2.340 1.00 0.00 H new ATOM 0 HD21 ASN A 21 15.698 12.044 -0.816 1.00 0.00 H new ATOM 0 HD22 ASN A 21 16.404 11.558 0.729 1.00 0.00 H new ATOM 286 N LEU A 22 11.368 8.906 -2.218 1.00 0.00 N ATOM 287 CA LEU A 22 10.450 8.459 -3.297 1.00 0.00 C ATOM 288 C LEU A 22 9.373 7.567 -2.683 1.00 0.00 C ATOM 289 O LEU A 22 9.561 7.020 -1.620 1.00 0.00 O ATOM 290 CB LEU A 22 11.338 7.676 -4.262 1.00 0.00 C ATOM 291 CG LEU A 22 11.637 6.284 -3.704 1.00 0.00 C ATOM 292 CD1 LEU A 22 10.643 5.283 -4.288 1.00 0.00 C ATOM 293 CD2 LEU A 22 13.052 5.876 -4.112 1.00 0.00 C ATOM 0 H LEU A 22 11.295 8.378 -1.349 1.00 0.00 H new ATOM 0 HA LEU A 22 9.942 9.277 -3.808 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.844 7.588 -5.230 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.270 8.216 -4.427 1.00 0.00 H new ATOM 0 HG LEU A 22 11.552 6.297 -2.617 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.853 4.289 -3.893 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.629 5.576 -4.015 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.737 5.269 -5.374 1.00 0.00 H new ATOM 0 HD21 LEU A 22 13.273 4.884 -3.718 1.00 0.00 H new ATOM 0 HD22 LEU A 22 13.127 5.859 -5.199 1.00 0.00 H new ATOM 0 HD23 LEU A 22 13.768 6.593 -3.710 1.00 0.00 H new ATOM 305 N CYS A 23 8.249 7.404 -3.322 1.00 0.00 N ATOM 306 CA CYS A 23 7.202 6.538 -2.717 1.00 0.00 C ATOM 307 C CYS A 23 7.274 5.153 -3.330 1.00 0.00 C ATOM 308 O CYS A 23 8.170 4.849 -4.090 1.00 0.00 O ATOM 309 CB CYS A 23 5.874 7.215 -3.037 1.00 0.00 C ATOM 310 SG CYS A 23 5.995 8.959 -2.589 1.00 0.00 S ATOM 0 H CYS A 23 8.013 7.825 -4.221 1.00 0.00 H new ATOM 0 HA CYS A 23 7.328 6.419 -1.641 1.00 0.00 H new ATOM 0 HB2 CYS A 23 5.642 7.112 -4.097 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.064 6.738 -2.486 1.00 0.00 H new ATOM 315 N TYR A 24 6.357 4.300 -3.014 1.00 0.00 N ATOM 316 CA TYR A 24 6.437 2.947 -3.592 1.00 0.00 C ATOM 317 C TYR A 24 5.099 2.238 -3.544 1.00 0.00 C ATOM 318 O TYR A 24 4.128 2.741 -3.029 1.00 0.00 O ATOM 319 CB TYR A 24 7.449 2.207 -2.724 1.00 0.00 C ATOM 320 CG TYR A 24 6.823 1.909 -1.388 1.00 0.00 C ATOM 321 CD1 TYR A 24 6.863 2.861 -0.367 1.00 0.00 C ATOM 322 CD2 TYR A 24 6.195 0.680 -1.179 1.00 0.00 C ATOM 323 CE1 TYR A 24 6.272 2.583 0.872 1.00 0.00 C ATOM 324 CE2 TYR A 24 5.602 0.399 0.057 1.00 0.00 C ATOM 325 CZ TYR A 24 5.641 1.350 1.084 1.00 0.00 C ATOM 326 OH TYR A 24 5.058 1.074 2.303 1.00 0.00 O ATOM 0 H TYR A 24 5.568 4.476 -2.392 1.00 0.00 H new ATOM 0 HA TYR A 24 6.727 2.984 -4.642 1.00 0.00 H new ATOM 0 HB2 TYR A 24 7.757 1.281 -3.210 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.346 2.812 -2.593 1.00 0.00 H new ATOM 0 HD1 TYR A 24 7.349 3.811 -0.533 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.167 -0.054 -1.971 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.303 3.318 1.663 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.114 -0.551 0.219 1.00 0.00 H new ATOM 0 HH TYR A 24 4.664 0.177 2.281 1.00 0.00 H new ATOM 336 N ARG A 25 5.062 1.058 -4.072 1.00 0.00 N ATOM 337 CA ARG A 25 3.795 0.273 -4.061 1.00 0.00 C ATOM 338 C ARG A 25 4.080 -1.152 -3.582 1.00 0.00 C ATOM 339 O ARG A 25 4.734 -1.910 -4.263 1.00 0.00 O ATOM 340 CB ARG A 25 3.323 0.244 -5.517 1.00 0.00 C ATOM 341 CG ARG A 25 3.542 1.612 -6.169 1.00 0.00 C ATOM 342 CD ARG A 25 3.232 1.521 -7.666 1.00 0.00 C ATOM 343 NE ARG A 25 1.957 0.754 -7.749 1.00 0.00 N ATOM 344 CZ ARG A 25 1.730 -0.028 -8.768 1.00 0.00 C ATOM 345 NH1 ARG A 25 2.325 0.194 -9.908 1.00 0.00 N ATOM 346 NH2 ARG A 25 0.908 -1.034 -8.646 1.00 0.00 N ATOM 0 H ARG A 25 5.855 0.594 -4.515 1.00 0.00 H new ATOM 0 HA ARG A 25 3.047 0.708 -3.398 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.868 -0.522 -6.069 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.267 -0.023 -5.560 1.00 0.00 H new ATOM 0 HG2 ARG A 25 2.901 2.357 -5.699 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.572 1.937 -6.019 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.126 2.512 -8.108 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.033 1.015 -8.205 1.00 0.00 H new ATOM 0 HE ARG A 25 1.261 0.841 -7.008 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.968 0.980 -10.003 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.147 -0.418 -10.704 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.444 -1.208 -7.755 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.730 -1.646 -9.442 1.00 0.00 H new ATOM 360 N LYS A 26 3.593 -1.551 -2.438 1.00 0.00 N ATOM 361 CA LYS A 26 3.875 -2.939 -2.003 1.00 0.00 C ATOM 362 C LYS A 26 2.698 -3.824 -2.347 1.00 0.00 C ATOM 363 O LYS A 26 1.566 -3.391 -2.398 1.00 0.00 O ATOM 364 CB LYS A 26 4.078 -2.902 -0.487 1.00 0.00 C ATOM 365 CG LYS A 26 5.522 -3.283 -0.158 1.00 0.00 C ATOM 366 CD LYS A 26 5.960 -2.581 1.130 1.00 0.00 C ATOM 367 CE LYS A 26 7.218 -1.751 0.858 1.00 0.00 C ATOM 368 NZ LYS A 26 8.345 -2.584 1.362 1.00 0.00 N ATOM 0 H LYS A 26 3.026 -0.989 -1.803 1.00 0.00 H new ATOM 0 HA LYS A 26 4.760 -3.337 -2.500 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.857 -1.906 -0.104 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.388 -3.591 0.000 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.606 -4.363 -0.041 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.179 -2.999 -0.980 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.160 -1.938 1.496 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.159 -3.318 1.908 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.329 -1.539 -0.205 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.176 -0.791 1.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.243 -2.082 1.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.216 -2.764 2.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.364 -3.489 0.850 1.00 0.00 H new ATOM 382 N MET A 27 2.959 -5.063 -2.567 1.00 0.00 N ATOM 383 CA MET A 27 1.865 -5.997 -2.889 1.00 0.00 C ATOM 384 C MET A 27 2.218 -7.354 -2.336 1.00 0.00 C ATOM 385 O MET A 27 3.373 -7.710 -2.221 1.00 0.00 O ATOM 386 CB MET A 27 1.765 -6.020 -4.415 1.00 0.00 C ATOM 387 CG MET A 27 0.434 -5.402 -4.848 1.00 0.00 C ATOM 388 SD MET A 27 0.427 -5.183 -6.645 1.00 0.00 S ATOM 389 CE MET A 27 -1.355 -4.934 -6.836 1.00 0.00 C ATOM 0 H MET A 27 3.891 -5.477 -2.538 1.00 0.00 H new ATOM 0 HA MET A 27 0.909 -5.701 -2.456 1.00 0.00 H new ATOM 0 HB2 MET A 27 2.595 -5.466 -4.853 1.00 0.00 H new ATOM 0 HB3 MET A 27 1.838 -7.045 -4.780 1.00 0.00 H new ATOM 0 HG2 MET A 27 -0.393 -6.045 -4.546 1.00 0.00 H new ATOM 0 HG3 MET A 27 0.289 -4.442 -4.353 1.00 0.00 H new ATOM 0 HE1 MET A 27 -1.682 -5.361 -7.784 1.00 0.00 H new ATOM 0 HE2 MET A 27 -1.881 -5.424 -6.016 1.00 0.00 H new ATOM 0 HE3 MET A 27 -1.577 -3.867 -6.823 1.00 0.00 H new ATOM 399 N TRP A 28 1.243 -8.099 -1.949 1.00 0.00 N ATOM 400 CA TRP A 28 1.552 -9.408 -1.356 1.00 0.00 C ATOM 401 C TRP A 28 0.286 -10.258 -1.233 1.00 0.00 C ATOM 402 O TRP A 28 -0.136 -10.908 -2.168 1.00 0.00 O ATOM 403 CB TRP A 28 2.132 -9.056 0.023 1.00 0.00 C ATOM 404 CG TRP A 28 1.565 -7.767 0.596 1.00 0.00 C ATOM 405 CD1 TRP A 28 0.245 -7.469 0.765 1.00 0.00 C ATOM 406 CD2 TRP A 28 2.298 -6.611 1.104 1.00 0.00 C ATOM 407 NE1 TRP A 28 0.138 -6.226 1.369 1.00 0.00 N ATOM 408 CE2 TRP A 28 1.373 -5.657 1.590 1.00 0.00 C ATOM 409 CE3 TRP A 28 3.663 -6.306 1.194 1.00 0.00 C ATOM 410 CZ2 TRP A 28 1.794 -4.449 2.149 1.00 0.00 C ATOM 411 CZ3 TRP A 28 4.091 -5.091 1.751 1.00 0.00 C ATOM 412 CH2 TRP A 28 3.158 -4.165 2.231 1.00 0.00 C ATOM 0 H TRP A 28 0.253 -7.863 -2.016 1.00 0.00 H new ATOM 0 HA TRP A 28 2.243 -9.998 -1.957 1.00 0.00 H new ATOM 0 HB2 TRP A 28 1.931 -9.874 0.715 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.215 -8.966 -0.057 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -0.583 -8.099 0.475 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.748 -5.786 1.619 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.393 -7.014 0.831 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.068 -3.738 2.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.146 -4.869 1.810 1.00 0.00 H new ATOM 0 HH2 TRP A 28 3.492 -3.234 2.664 1.00 0.00 H new ATOM 423 N CYS A 29 -0.321 -10.253 -0.092 1.00 0.00 N ATOM 424 CA CYS A 29 -1.565 -11.035 0.110 1.00 0.00 C ATOM 425 C CYS A 29 -2.255 -10.526 1.376 1.00 0.00 C ATOM 426 O CYS A 29 -1.625 -9.947 2.238 1.00 0.00 O ATOM 427 CB CYS A 29 -1.100 -12.474 0.288 1.00 0.00 C ATOM 428 SG CYS A 29 -1.652 -13.470 -1.116 1.00 0.00 S ATOM 0 H CYS A 29 -0.005 -9.732 0.726 1.00 0.00 H new ATOM 0 HA CYS A 29 -2.272 -10.948 -0.715 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.013 -12.508 0.366 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.499 -12.883 1.216 1.00 0.00 H new ATOM 433 N ASP A 30 -3.534 -10.721 1.503 1.00 0.00 N ATOM 434 CA ASP A 30 -4.226 -10.222 2.728 1.00 0.00 C ATOM 435 C ASP A 30 -4.703 -11.400 3.591 1.00 0.00 C ATOM 436 O ASP A 30 -3.904 -12.149 4.116 1.00 0.00 O ATOM 437 CB ASP A 30 -5.400 -9.394 2.207 1.00 0.00 C ATOM 438 CG ASP A 30 -6.094 -8.695 3.378 1.00 0.00 C ATOM 439 OD1 ASP A 30 -5.494 -8.619 4.437 1.00 0.00 O ATOM 440 OD2 ASP A 30 -7.215 -8.248 3.195 1.00 0.00 O ATOM 0 H ASP A 30 -4.128 -11.197 0.824 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.572 -9.627 3.366 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.046 -8.656 1.487 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.107 -10.037 1.683 1.00 0.00 H new ATOM 445 N ALA A 31 -5.991 -11.576 3.749 1.00 0.00 N ATOM 446 CA ALA A 31 -6.484 -12.710 4.582 1.00 0.00 C ATOM 447 C ALA A 31 -5.700 -13.981 4.247 1.00 0.00 C ATOM 448 O ALA A 31 -4.769 -14.348 4.935 1.00 0.00 O ATOM 449 CB ALA A 31 -7.957 -12.871 4.204 1.00 0.00 C ATOM 0 H ALA A 31 -6.716 -10.987 3.340 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.359 -12.528 5.649 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.392 -13.690 4.777 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.493 -11.948 4.426 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.038 -13.091 3.139 1.00 0.00 H new ATOM 455 N PHE A 32 -6.065 -14.648 3.189 1.00 0.00 N ATOM 456 CA PHE A 32 -5.338 -15.889 2.799 1.00 0.00 C ATOM 457 C PHE A 32 -5.181 -15.939 1.279 1.00 0.00 C ATOM 458 O PHE A 32 -5.417 -16.953 0.652 1.00 0.00 O ATOM 459 CB PHE A 32 -6.219 -17.038 3.288 1.00 0.00 C ATOM 460 CG PHE A 32 -6.288 -17.009 4.796 1.00 0.00 C ATOM 461 CD1 PHE A 32 -5.109 -16.984 5.550 1.00 0.00 C ATOM 462 CD2 PHE A 32 -7.531 -17.006 5.440 1.00 0.00 C ATOM 463 CE1 PHE A 32 -5.173 -16.954 6.948 1.00 0.00 C ATOM 464 CE2 PHE A 32 -7.595 -16.977 6.838 1.00 0.00 C ATOM 465 CZ PHE A 32 -6.415 -16.951 7.592 1.00 0.00 C ATOM 0 H PHE A 32 -6.837 -14.387 2.576 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.337 -15.939 3.228 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -7.220 -16.949 2.865 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.814 -17.991 2.950 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.150 -16.988 5.053 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.441 -17.026 4.858 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.263 -16.933 7.530 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.554 -16.975 7.335 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.464 -16.929 8.671 1.00 0.00 H new ATOM 475 N CYS A 33 -4.793 -14.847 0.679 1.00 0.00 N ATOM 476 CA CYS A 33 -4.632 -14.831 -0.801 1.00 0.00 C ATOM 477 C CYS A 33 -5.938 -15.267 -1.465 1.00 0.00 C ATOM 478 O CYS A 33 -6.191 -16.441 -1.646 1.00 0.00 O ATOM 479 CB CYS A 33 -3.523 -15.838 -1.093 1.00 0.00 C ATOM 480 SG CYS A 33 -1.985 -15.292 -0.315 1.00 0.00 S ATOM 0 H CYS A 33 -4.581 -13.967 1.149 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.387 -13.840 -1.183 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.803 -16.822 -0.716 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.382 -15.937 -2.169 1.00 0.00 H new ATOM 485 N SER A 34 -6.774 -14.333 -1.820 1.00 0.00 N ATOM 486 CA SER A 34 -8.069 -14.702 -2.463 1.00 0.00 C ATOM 487 C SER A 34 -8.001 -14.476 -3.974 1.00 0.00 C ATOM 488 O SER A 34 -6.982 -14.087 -4.511 1.00 0.00 O ATOM 489 CB SER A 34 -9.104 -13.774 -1.830 1.00 0.00 C ATOM 490 OG SER A 34 -8.856 -12.439 -2.248 1.00 0.00 O ATOM 0 H SER A 34 -6.619 -13.333 -1.694 1.00 0.00 H new ATOM 0 HA SER A 34 -8.315 -15.753 -2.313 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.109 -14.078 -2.123 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.054 -13.842 -0.743 1.00 0.00 H new ATOM 0 HG SER A 34 -9.412 -11.824 -1.726 1.00 0.00 H new ATOM 496 N SER A 35 -9.085 -14.711 -4.664 1.00 0.00 N ATOM 497 CA SER A 35 -9.089 -14.505 -6.140 1.00 0.00 C ATOM 498 C SER A 35 -9.003 -13.011 -6.457 1.00 0.00 C ATOM 499 O SER A 35 -8.881 -12.612 -7.598 1.00 0.00 O ATOM 500 CB SER A 35 -10.423 -15.079 -6.616 1.00 0.00 C ATOM 501 OG SER A 35 -10.797 -16.160 -5.771 1.00 0.00 O ATOM 0 H SER A 35 -9.967 -15.037 -4.269 1.00 0.00 H new ATOM 0 HA SER A 35 -8.243 -14.986 -6.630 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.191 -14.306 -6.599 1.00 0.00 H new ATOM 0 HB3 SER A 35 -10.338 -15.421 -7.647 1.00 0.00 H new ATOM 0 HG SER A 35 -11.653 -16.530 -6.072 1.00 0.00 H new ATOM 507 N ARG A 36 -9.059 -12.181 -5.451 1.00 0.00 N ATOM 508 CA ARG A 36 -8.974 -10.713 -5.686 1.00 0.00 C ATOM 509 C ARG A 36 -7.510 -10.294 -5.837 1.00 0.00 C ATOM 510 O ARG A 36 -7.189 -9.123 -5.873 1.00 0.00 O ATOM 511 CB ARG A 36 -9.586 -10.080 -4.436 1.00 0.00 C ATOM 512 CG ARG A 36 -10.817 -9.261 -4.827 1.00 0.00 C ATOM 513 CD ARG A 36 -12.057 -10.159 -4.801 1.00 0.00 C ATOM 514 NE ARG A 36 -12.005 -10.927 -6.076 1.00 0.00 N ATOM 515 CZ ARG A 36 -12.702 -12.023 -6.208 1.00 0.00 C ATOM 516 NH1 ARG A 36 -12.563 -12.993 -5.346 1.00 0.00 N ATOM 517 NH2 ARG A 36 -13.538 -12.149 -7.202 1.00 0.00 N ATOM 0 H ARG A 36 -9.160 -12.458 -4.475 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.491 -10.404 -6.594 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.864 -10.855 -3.722 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.853 -9.441 -3.943 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.945 -8.426 -4.138 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.683 -8.836 -5.822 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.044 -10.825 -3.938 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.971 -9.568 -4.733 1.00 0.00 H new ATOM 0 HE ARG A 36 -11.424 -10.596 -6.847 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.910 -12.895 -4.569 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.108 -13.849 -5.449 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -13.647 -11.391 -7.876 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.082 -13.005 -7.305 1.00 0.00 H new ATOM 531 N GLY A 37 -6.619 -11.244 -5.918 1.00 0.00 N ATOM 532 CA GLY A 37 -5.177 -10.901 -6.059 1.00 0.00 C ATOM 533 C GLY A 37 -4.630 -10.470 -4.699 1.00 0.00 C ATOM 534 O GLY A 37 -5.170 -10.813 -3.666 1.00 0.00 O ATOM 0 H GLY A 37 -6.828 -12.242 -5.893 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.621 -11.761 -6.433 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.051 -10.099 -6.786 1.00 0.00 H new ATOM 538 N LYS A 38 -3.575 -9.705 -4.686 1.00 0.00 N ATOM 539 CA LYS A 38 -3.013 -9.238 -3.395 1.00 0.00 C ATOM 540 C LYS A 38 -3.635 -7.896 -3.055 1.00 0.00 C ATOM 541 O LYS A 38 -4.696 -7.551 -3.533 1.00 0.00 O ATOM 542 CB LYS A 38 -1.511 -9.059 -3.629 1.00 0.00 C ATOM 543 CG LYS A 38 -0.983 -10.144 -4.575 1.00 0.00 C ATOM 544 CD LYS A 38 -0.779 -9.551 -5.971 1.00 0.00 C ATOM 545 CE LYS A 38 0.427 -10.217 -6.637 1.00 0.00 C ATOM 546 NZ LYS A 38 1.087 -9.131 -7.413 1.00 0.00 N ATOM 0 H LYS A 38 -3.079 -9.384 -5.517 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.209 -9.937 -2.582 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.318 -8.073 -4.052 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.980 -9.107 -2.678 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.042 -10.544 -4.197 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.687 -10.975 -4.621 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.672 -9.703 -6.577 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.621 -8.475 -5.901 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.104 -10.639 -5.895 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.117 -11.035 -7.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.924 -9.511 -7.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.421 -8.753 -8.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.378 -8.370 -6.767 1.00 0.00 H new ATOM 560 N VAL A 39 -2.966 -7.121 -2.268 1.00 0.00 N ATOM 561 CA VAL A 39 -3.502 -5.781 -1.934 1.00 0.00 C ATOM 562 C VAL A 39 -2.706 -4.736 -2.712 1.00 0.00 C ATOM 563 O VAL A 39 -2.097 -5.025 -3.723 1.00 0.00 O ATOM 564 CB VAL A 39 -3.291 -5.602 -0.424 1.00 0.00 C ATOM 565 CG1 VAL A 39 -4.349 -4.644 0.127 1.00 0.00 C ATOM 566 CG2 VAL A 39 -3.417 -6.950 0.294 1.00 0.00 C ATOM 0 H VAL A 39 -2.070 -7.354 -1.839 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.556 -5.674 -2.191 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.293 -5.197 -0.254 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.201 -4.516 1.199 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.259 -3.678 -0.370 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.342 -5.055 -0.055 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.265 -6.808 1.364 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.411 -7.363 0.120 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.665 -7.639 -0.091 1.00 0.00 H new ATOM 576 N VAL A 40 -2.681 -3.540 -2.227 1.00 0.00 N ATOM 577 CA VAL A 40 -1.904 -2.463 -2.887 1.00 0.00 C ATOM 578 C VAL A 40 -1.527 -1.505 -1.791 1.00 0.00 C ATOM 579 O VAL A 40 -2.180 -0.511 -1.541 1.00 0.00 O ATOM 580 CB VAL A 40 -2.835 -1.822 -3.901 1.00 0.00 C ATOM 581 CG1 VAL A 40 -2.014 -0.962 -4.862 1.00 0.00 C ATOM 582 CG2 VAL A 40 -3.539 -2.925 -4.680 1.00 0.00 C ATOM 0 H VAL A 40 -3.176 -3.252 -1.383 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.004 -2.801 -3.401 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.571 -1.197 -3.395 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.677 -0.499 -5.593 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.493 -0.186 -4.301 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.286 -1.587 -5.378 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.212 -2.480 -5.413 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.798 -3.538 -5.193 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.112 -3.547 -3.992 1.00 0.00 H new ATOM 592 N GLU A 41 -0.516 -1.861 -1.087 1.00 0.00 N ATOM 593 CA GLU A 41 -0.102 -1.059 0.075 1.00 0.00 C ATOM 594 C GLU A 41 1.060 -0.131 -0.271 1.00 0.00 C ATOM 595 O GLU A 41 2.175 -0.321 0.171 1.00 0.00 O ATOM 596 CB GLU A 41 0.311 -2.107 1.099 1.00 0.00 C ATOM 597 CG GLU A 41 -0.737 -3.226 1.144 1.00 0.00 C ATOM 598 CD GLU A 41 -1.238 -3.404 2.578 1.00 0.00 C ATOM 599 OE1 GLU A 41 -0.619 -2.854 3.475 1.00 0.00 O ATOM 600 OE2 GLU A 41 -2.233 -4.087 2.756 1.00 0.00 O ATOM 0 H GLU A 41 0.054 -2.687 -1.267 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.892 -0.401 0.437 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.286 -2.519 0.839 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.410 -1.649 2.083 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.570 -2.984 0.485 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.304 -4.158 0.781 1.00 0.00 H new ATOM 607 N LEU A 42 0.801 0.885 -1.046 1.00 0.00 N ATOM 608 CA LEU A 42 1.889 1.835 -1.401 1.00 0.00 C ATOM 609 C LEU A 42 2.246 2.680 -0.184 1.00 0.00 C ATOM 610 O LEU A 42 1.632 2.582 0.860 1.00 0.00 O ATOM 611 CB LEU A 42 1.336 2.754 -2.499 1.00 0.00 C ATOM 612 CG LEU A 42 0.343 2.024 -3.396 1.00 0.00 C ATOM 613 CD1 LEU A 42 -1.053 2.575 -3.129 1.00 0.00 C ATOM 614 CD2 LEU A 42 0.713 2.286 -4.852 1.00 0.00 C ATOM 0 H LEU A 42 -0.113 1.097 -1.447 1.00 0.00 H new ATOM 0 HA LEU A 42 2.779 1.301 -1.735 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.849 3.615 -2.042 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.159 3.136 -3.103 1.00 0.00 H new ATOM 0 HG LEU A 42 0.366 0.953 -3.194 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.775 2.061 -3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.313 2.416 -2.083 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.071 3.642 -3.349 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.010 1.769 -5.505 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.672 3.357 -5.051 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.722 1.920 -5.043 1.00 0.00 H new ATOM 626 N GLY A 43 3.227 3.519 -0.318 1.00 0.00 N ATOM 627 CA GLY A 43 3.619 4.391 0.831 1.00 0.00 C ATOM 628 C GLY A 43 4.900 5.156 0.490 1.00 0.00 C ATOM 629 O GLY A 43 5.157 5.467 -0.652 1.00 0.00 O ATOM 0 H GLY A 43 3.777 3.644 -1.168 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.816 5.092 1.058 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.774 3.784 1.723 1.00 0.00 H new ATOM 633 N CYS A 44 5.700 5.483 1.469 1.00 0.00 N ATOM 634 CA CYS A 44 6.950 6.243 1.182 1.00 0.00 C ATOM 635 C CYS A 44 8.172 5.345 1.389 1.00 0.00 C ATOM 636 O CYS A 44 8.100 4.322 2.040 1.00 0.00 O ATOM 637 CB CYS A 44 6.996 7.414 2.183 1.00 0.00 C ATOM 638 SG CYS A 44 5.371 7.739 2.928 1.00 0.00 S ATOM 0 H CYS A 44 5.543 5.258 2.451 1.00 0.00 H new ATOM 0 HA CYS A 44 6.961 6.598 0.152 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.717 7.190 2.969 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.347 8.312 1.674 1.00 0.00 H new ATOM 643 N ALA A 45 9.300 5.726 0.851 1.00 0.00 N ATOM 644 CA ALA A 45 10.520 4.904 1.030 1.00 0.00 C ATOM 645 C ALA A 45 11.769 5.726 0.714 1.00 0.00 C ATOM 646 O ALA A 45 11.830 6.429 -0.277 1.00 0.00 O ATOM 647 CB ALA A 45 10.374 3.746 0.044 1.00 0.00 C ATOM 0 H ALA A 45 9.424 6.573 0.296 1.00 0.00 H new ATOM 0 HA ALA A 45 10.627 4.551 2.056 1.00 0.00 H new ATOM 0 HB1 ALA A 45 11.243 3.092 0.119 1.00 0.00 H new ATOM 0 HB2 ALA A 45 9.473 3.180 0.279 1.00 0.00 H new ATOM 0 HB3 ALA A 45 10.302 4.139 -0.970 1.00 0.00 H new ATOM 653 N ALA A 46 12.771 5.639 1.547 1.00 0.00 N ATOM 654 CA ALA A 46 14.017 6.409 1.288 1.00 0.00 C ATOM 655 C ALA A 46 14.528 6.082 -0.119 1.00 0.00 C ATOM 656 O ALA A 46 14.984 6.939 -0.847 1.00 0.00 O ATOM 657 CB ALA A 46 15.017 5.918 2.335 1.00 0.00 C ATOM 0 H ALA A 46 12.779 5.069 2.393 1.00 0.00 H new ATOM 0 HA ALA A 46 13.863 7.486 1.349 1.00 0.00 H new ATOM 0 HB1 ALA A 46 15.964 6.442 2.207 1.00 0.00 H new ATOM 0 HB2 ALA A 46 14.625 6.115 3.333 1.00 0.00 H new ATOM 0 HB3 ALA A 46 15.176 4.847 2.212 1.00 0.00 H new ATOM 663 N THR A 47 14.451 4.835 -0.503 1.00 0.00 N ATOM 664 CA THR A 47 14.926 4.435 -1.858 1.00 0.00 C ATOM 665 C THR A 47 14.010 3.357 -2.440 1.00 0.00 C ATOM 666 O THR A 47 12.943 3.096 -1.923 1.00 0.00 O ATOM 667 CB THR A 47 16.336 3.883 -1.641 1.00 0.00 C ATOM 668 OG1 THR A 47 16.407 3.260 -0.366 1.00 0.00 O ATOM 669 CG2 THR A 47 17.350 5.026 -1.710 1.00 0.00 C ATOM 0 H THR A 47 14.078 4.075 0.066 1.00 0.00 H new ATOM 0 HA THR A 47 14.922 5.269 -2.560 1.00 0.00 H new ATOM 0 HB THR A 47 16.564 3.152 -2.417 1.00 0.00 H new ATOM 0 HG1 THR A 47 17.309 2.904 -0.226 1.00 0.00 H new ATOM 0 HG21 THR A 47 18.354 4.631 -1.555 1.00 0.00 H new ATOM 0 HG22 THR A 47 17.294 5.503 -2.688 1.00 0.00 H new ATOM 0 HG23 THR A 47 17.125 5.759 -0.936 1.00 0.00 H new ATOM 677 N CYS A 48 14.411 2.740 -3.518 1.00 0.00 N ATOM 678 CA CYS A 48 13.554 1.688 -4.138 1.00 0.00 C ATOM 679 C CYS A 48 13.885 0.306 -3.563 1.00 0.00 C ATOM 680 O CYS A 48 14.944 -0.234 -3.817 1.00 0.00 O ATOM 681 CB CYS A 48 13.882 1.741 -5.632 1.00 0.00 C ATOM 682 SG CYS A 48 12.743 2.875 -6.469 1.00 0.00 S ATOM 0 H CYS A 48 15.294 2.918 -3.996 1.00 0.00 H new ATOM 0 HA CYS A 48 12.495 1.858 -3.943 1.00 0.00 H new ATOM 0 HB2 CYS A 48 14.911 2.071 -5.777 1.00 0.00 H new ATOM 0 HB3 CYS A 48 13.803 0.745 -6.067 1.00 0.00 H new ATOM 687 N PRO A 49 12.958 -0.223 -2.808 1.00 0.00 N ATOM 688 CA PRO A 49 13.141 -1.555 -2.194 1.00 0.00 C ATOM 689 C PRO A 49 12.761 -2.655 -3.191 1.00 0.00 C ATOM 690 O PRO A 49 11.732 -2.591 -3.834 1.00 0.00 O ATOM 691 CB PRO A 49 12.173 -1.537 -1.017 1.00 0.00 C ATOM 692 CG PRO A 49 11.110 -0.541 -1.383 1.00 0.00 C ATOM 693 CD PRO A 49 11.664 0.368 -2.455 1.00 0.00 C ATOM 0 HA PRO A 49 14.170 -1.754 -1.894 1.00 0.00 H new ATOM 0 HB2 PRO A 49 11.743 -2.524 -0.848 1.00 0.00 H new ATOM 0 HB3 PRO A 49 12.680 -1.248 -0.097 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.217 -1.053 -1.743 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.815 0.039 -0.508 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.000 0.413 -3.318 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.781 1.388 -2.089 1.00 0.00 H new ATOM 701 N SER A 50 13.581 -3.662 -3.328 1.00 0.00 N ATOM 702 CA SER A 50 13.257 -4.758 -4.289 1.00 0.00 C ATOM 703 C SER A 50 13.908 -6.072 -3.846 1.00 0.00 C ATOM 704 O SER A 50 14.011 -7.012 -4.610 1.00 0.00 O ATOM 705 CB SER A 50 13.844 -4.297 -5.620 1.00 0.00 C ATOM 706 OG SER A 50 13.155 -4.938 -6.685 1.00 0.00 O ATOM 0 H SER A 50 14.458 -3.774 -2.819 1.00 0.00 H new ATOM 0 HA SER A 50 12.185 -4.944 -4.352 1.00 0.00 H new ATOM 0 HB2 SER A 50 13.756 -3.215 -5.714 1.00 0.00 H new ATOM 0 HB3 SER A 50 14.907 -4.535 -5.664 1.00 0.00 H new ATOM 0 HG SER A 50 13.153 -5.907 -6.537 1.00 0.00 H new ATOM 712 N LYS A 51 14.352 -6.144 -2.623 1.00 0.00 N ATOM 713 CA LYS A 51 15.000 -7.397 -2.138 1.00 0.00 C ATOM 714 C LYS A 51 13.952 -8.355 -1.561 1.00 0.00 C ATOM 715 O LYS A 51 13.904 -8.592 -0.370 1.00 0.00 O ATOM 716 CB LYS A 51 15.970 -6.943 -1.046 1.00 0.00 C ATOM 717 CG LYS A 51 17.292 -6.515 -1.685 1.00 0.00 C ATOM 718 CD LYS A 51 18.458 -7.139 -0.916 1.00 0.00 C ATOM 719 CE LYS A 51 19.756 -6.414 -1.278 1.00 0.00 C ATOM 720 NZ LYS A 51 20.184 -5.742 -0.020 1.00 0.00 N ATOM 0 H LYS A 51 14.295 -5.391 -1.937 1.00 0.00 H new ATOM 0 HA LYS A 51 15.507 -7.933 -2.940 1.00 0.00 H new ATOM 0 HB2 LYS A 51 15.540 -6.114 -0.484 1.00 0.00 H new ATOM 0 HB3 LYS A 51 16.142 -7.753 -0.337 1.00 0.00 H new ATOM 0 HG2 LYS A 51 17.322 -6.829 -2.728 1.00 0.00 H new ATOM 0 HG3 LYS A 51 17.377 -5.428 -1.676 1.00 0.00 H new ATOM 0 HD2 LYS A 51 18.278 -7.070 0.157 1.00 0.00 H new ATOM 0 HD3 LYS A 51 18.541 -8.199 -1.158 1.00 0.00 H new ATOM 0 HE2 LYS A 51 20.514 -7.114 -1.630 1.00 0.00 H new ATOM 0 HE3 LYS A 51 19.595 -5.690 -2.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 21.069 -5.223 -0.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 19.445 -5.077 0.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 20.337 -6.456 0.720 1.00 0.00 H new ATOM 734 N LYS A 52 13.116 -8.912 -2.396 1.00 0.00 N ATOM 735 CA LYS A 52 12.079 -9.856 -1.894 1.00 0.00 C ATOM 736 C LYS A 52 11.512 -10.678 -3.055 1.00 0.00 C ATOM 737 O LYS A 52 10.605 -10.248 -3.739 1.00 0.00 O ATOM 738 CB LYS A 52 10.995 -8.969 -1.281 1.00 0.00 C ATOM 739 CG LYS A 52 11.172 -8.925 0.238 1.00 0.00 C ATOM 740 CD LYS A 52 11.428 -7.484 0.682 1.00 0.00 C ATOM 741 CE LYS A 52 10.163 -6.918 1.332 1.00 0.00 C ATOM 742 NZ LYS A 52 10.507 -6.767 2.773 1.00 0.00 N ATOM 0 H LYS A 52 13.107 -8.753 -3.404 1.00 0.00 H new ATOM 0 HA LYS A 52 12.479 -10.564 -1.168 1.00 0.00 H new ATOM 0 HB2 LYS A 52 11.057 -7.962 -1.695 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.008 -9.357 -1.532 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.281 -9.315 0.730 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.005 -9.562 0.536 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.258 -7.452 1.388 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.714 -6.874 -0.175 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.886 -5.961 0.890 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.315 -7.589 1.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.688 -6.383 3.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.760 -7.695 3.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.313 -6.117 2.871 1.00 0.00 H new ATOM 756 N PRO A 53 12.078 -11.841 -3.237 1.00 0.00 N ATOM 757 CA PRO A 53 11.640 -12.753 -4.328 1.00 0.00 C ATOM 758 C PRO A 53 10.206 -13.276 -4.121 1.00 0.00 C ATOM 759 O PRO A 53 9.708 -14.049 -4.915 1.00 0.00 O ATOM 760 CB PRO A 53 12.661 -13.889 -4.274 1.00 0.00 C ATOM 761 CG PRO A 53 13.190 -13.860 -2.878 1.00 0.00 C ATOM 762 CD PRO A 53 13.177 -12.415 -2.454 1.00 0.00 C ATOM 0 HA PRO A 53 11.606 -12.250 -5.294 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.197 -14.849 -4.501 1.00 0.00 H new ATOM 0 HB3 PRO A 53 13.458 -13.740 -5.002 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.572 -14.466 -2.215 1.00 0.00 H new ATOM 0 HG3 PRO A 53 14.199 -14.269 -2.836 1.00 0.00 H new ATOM 0 HD2 PRO A 53 13.004 -12.312 -1.383 1.00 0.00 H new ATOM 0 HD3 PRO A 53 14.125 -11.924 -2.672 1.00 0.00 H new ATOM 770 N TYR A 54 9.530 -12.862 -3.081 1.00 0.00 N ATOM 771 CA TYR A 54 8.127 -13.345 -2.867 1.00 0.00 C ATOM 772 C TYR A 54 7.181 -12.152 -2.710 1.00 0.00 C ATOM 773 O TYR A 54 6.003 -12.312 -2.459 1.00 0.00 O ATOM 774 CB TYR A 54 8.140 -14.190 -1.580 1.00 0.00 C ATOM 775 CG TYR A 54 9.274 -13.766 -0.680 1.00 0.00 C ATOM 776 CD1 TYR A 54 10.582 -14.129 -1.003 1.00 0.00 C ATOM 777 CD2 TYR A 54 9.020 -13.006 0.467 1.00 0.00 C ATOM 778 CE1 TYR A 54 11.641 -13.735 -0.183 1.00 0.00 C ATOM 779 CE2 TYR A 54 10.080 -12.611 1.291 1.00 0.00 C ATOM 780 CZ TYR A 54 11.392 -12.976 0.966 1.00 0.00 C ATOM 781 OH TYR A 54 12.438 -12.586 1.777 1.00 0.00 O ATOM 0 H TYR A 54 9.882 -12.216 -2.374 1.00 0.00 H new ATOM 0 HA TYR A 54 7.779 -13.934 -3.715 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.191 -14.079 -1.056 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.243 -15.245 -1.832 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.776 -14.716 -1.889 1.00 0.00 H new ATOM 0 HD2 TYR A 54 8.007 -12.725 0.716 1.00 0.00 H new ATOM 0 HE1 TYR A 54 12.653 -14.016 -0.436 1.00 0.00 H new ATOM 0 HE2 TYR A 54 9.886 -12.025 2.177 1.00 0.00 H new ATOM 0 HH TYR A 54 12.091 -12.065 2.531 1.00 0.00 H new ATOM 791 N GLU A 55 7.685 -10.958 -2.862 1.00 0.00 N ATOM 792 CA GLU A 55 6.810 -9.757 -2.726 1.00 0.00 C ATOM 793 C GLU A 55 6.831 -8.942 -4.023 1.00 0.00 C ATOM 794 O GLU A 55 7.782 -8.985 -4.778 1.00 0.00 O ATOM 795 CB GLU A 55 7.418 -8.952 -1.577 1.00 0.00 C ATOM 796 CG GLU A 55 7.585 -9.855 -0.354 1.00 0.00 C ATOM 797 CD GLU A 55 6.581 -9.444 0.724 1.00 0.00 C ATOM 798 OE1 GLU A 55 6.782 -8.403 1.328 1.00 0.00 O ATOM 799 OE2 GLU A 55 5.627 -10.178 0.928 1.00 0.00 O ATOM 0 H GLU A 55 8.663 -10.761 -3.074 1.00 0.00 H new ATOM 0 HA GLU A 55 5.770 -10.021 -2.532 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.384 -8.544 -1.876 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.776 -8.106 -1.332 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.428 -10.897 -0.634 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.601 -9.778 0.032 1.00 0.00 H new ATOM 806 N GLU A 56 5.792 -8.197 -4.285 1.00 0.00 N ATOM 807 CA GLU A 56 5.756 -7.378 -5.531 1.00 0.00 C ATOM 808 C GLU A 56 5.725 -5.890 -5.174 1.00 0.00 C ATOM 809 O GLU A 56 4.680 -5.270 -5.145 1.00 0.00 O ATOM 810 CB GLU A 56 4.464 -7.788 -6.239 1.00 0.00 C ATOM 811 CG GLU A 56 4.672 -7.730 -7.754 1.00 0.00 C ATOM 812 CD GLU A 56 3.485 -7.016 -8.406 1.00 0.00 C ATOM 813 OE1 GLU A 56 2.795 -6.295 -7.704 1.00 0.00 O ATOM 814 OE2 GLU A 56 3.288 -7.202 -9.595 1.00 0.00 O ATOM 0 H GLU A 56 4.967 -8.120 -3.691 1.00 0.00 H new ATOM 0 HA GLU A 56 6.631 -7.539 -6.161 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.176 -8.796 -5.939 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.650 -7.124 -5.947 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.598 -7.203 -7.985 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.770 -8.738 -8.157 1.00 0.00 H new ATOM 821 N VAL A 57 6.861 -5.316 -4.891 1.00 0.00 N ATOM 822 CA VAL A 57 6.894 -3.873 -4.526 1.00 0.00 C ATOM 823 C VAL A 57 7.169 -3.007 -5.760 1.00 0.00 C ATOM 824 O VAL A 57 7.602 -3.488 -6.788 1.00 0.00 O ATOM 825 CB VAL A 57 8.036 -3.749 -3.518 1.00 0.00 C ATOM 826 CG1 VAL A 57 7.665 -4.488 -2.232 1.00 0.00 C ATOM 827 CG2 VAL A 57 9.307 -4.363 -4.108 1.00 0.00 C ATOM 0 H VAL A 57 7.767 -5.784 -4.897 1.00 0.00 H new ATOM 0 HA VAL A 57 5.943 -3.534 -4.115 1.00 0.00 H new ATOM 0 HB VAL A 57 8.209 -2.696 -3.296 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.480 -4.399 -1.513 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.760 -4.052 -1.810 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.491 -5.541 -2.455 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.121 -4.274 -3.389 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.133 -5.416 -4.331 1.00 0.00 H new ATOM 0 HG23 VAL A 57 9.574 -3.837 -5.025 1.00 0.00 H new ATOM 837 N THR A 58 6.927 -1.730 -5.654 1.00 0.00 N ATOM 838 CA THR A 58 7.177 -0.812 -6.801 1.00 0.00 C ATOM 839 C THR A 58 7.745 0.500 -6.268 1.00 0.00 C ATOM 840 O THR A 58 8.135 0.585 -5.121 1.00 0.00 O ATOM 841 CB THR A 58 5.810 -0.590 -7.451 1.00 0.00 C ATOM 842 OG1 THR A 58 5.020 -1.761 -7.300 1.00 0.00 O ATOM 843 CG2 THR A 58 5.996 -0.286 -8.939 1.00 0.00 C ATOM 0 H THR A 58 6.564 -1.279 -4.814 1.00 0.00 H new ATOM 0 HA THR A 58 7.891 -1.215 -7.520 1.00 0.00 H new ATOM 0 HB THR A 58 5.310 0.250 -6.970 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.143 -1.620 -7.715 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.022 -0.128 -9.403 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.603 0.612 -9.054 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.496 -1.126 -9.422 1.00 0.00 H new ATOM 851 N CYS A 59 7.801 1.526 -7.069 1.00 0.00 N ATOM 852 CA CYS A 59 8.356 2.808 -6.552 1.00 0.00 C ATOM 853 C CYS A 59 7.589 4.016 -7.058 1.00 0.00 C ATOM 854 O CYS A 59 6.561 3.914 -7.697 1.00 0.00 O ATOM 855 CB CYS A 59 9.771 2.890 -7.093 1.00 0.00 C ATOM 856 SG CYS A 59 10.918 2.294 -5.831 1.00 0.00 S ATOM 0 H CYS A 59 7.493 1.535 -8.041 1.00 0.00 H new ATOM 0 HA CYS A 59 8.299 2.819 -5.464 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.863 2.291 -7.999 1.00 0.00 H new ATOM 0 HB3 CYS A 59 10.011 3.918 -7.365 1.00 0.00 H new ATOM 861 N CYS A 60 8.130 5.166 -6.786 1.00 0.00 N ATOM 862 CA CYS A 60 7.509 6.426 -7.249 1.00 0.00 C ATOM 863 C CYS A 60 8.582 7.513 -7.321 1.00 0.00 C ATOM 864 O CYS A 60 9.130 7.915 -6.314 1.00 0.00 O ATOM 865 CB CYS A 60 6.442 6.756 -6.195 1.00 0.00 C ATOM 866 SG CYS A 60 6.323 8.556 -5.909 1.00 0.00 S ATOM 0 H CYS A 60 8.991 5.285 -6.253 1.00 0.00 H new ATOM 0 HA CYS A 60 7.064 6.349 -8.241 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.475 6.373 -6.522 1.00 0.00 H new ATOM 0 HB3 CYS A 60 6.685 6.253 -5.259 1.00 0.00 H new ATOM 871 N SER A 61 8.883 7.994 -8.492 1.00 0.00 N ATOM 872 CA SER A 61 9.924 9.051 -8.600 1.00 0.00 C ATOM 873 C SER A 61 9.278 10.437 -8.717 1.00 0.00 C ATOM 874 O SER A 61 9.913 11.443 -8.469 1.00 0.00 O ATOM 875 CB SER A 61 10.701 8.713 -9.871 1.00 0.00 C ATOM 876 OG SER A 61 9.912 9.044 -11.006 1.00 0.00 O ATOM 0 H SER A 61 8.458 7.704 -9.373 1.00 0.00 H new ATOM 0 HA SER A 61 10.568 9.081 -7.721 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.641 9.264 -9.894 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.953 7.653 -9.886 1.00 0.00 H new ATOM 0 HG SER A 61 10.409 8.830 -11.823 1.00 0.00 H new ATOM 882 N THR A 62 8.026 10.508 -9.091 1.00 0.00 N ATOM 883 CA THR A 62 7.372 11.843 -9.214 1.00 0.00 C ATOM 884 C THR A 62 6.561 12.160 -7.954 1.00 0.00 C ATOM 885 O THR A 62 6.857 11.683 -6.877 1.00 0.00 O ATOM 886 CB THR A 62 6.451 11.726 -10.430 1.00 0.00 C ATOM 887 OG1 THR A 62 6.898 10.664 -11.260 1.00 0.00 O ATOM 888 CG2 THR A 62 6.477 13.037 -11.216 1.00 0.00 C ATOM 0 H THR A 62 7.434 9.708 -9.314 1.00 0.00 H new ATOM 0 HA THR A 62 8.100 12.646 -9.330 1.00 0.00 H new ATOM 0 HB THR A 62 5.433 11.523 -10.099 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.308 10.587 -12.039 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.821 12.955 -12.083 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.134 13.851 -10.577 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.495 13.241 -11.549 1.00 0.00 H new ATOM 896 N ASP A 63 5.539 12.960 -8.083 1.00 0.00 N ATOM 897 CA ASP A 63 4.706 13.306 -6.896 1.00 0.00 C ATOM 898 C ASP A 63 3.496 12.370 -6.822 1.00 0.00 C ATOM 899 O ASP A 63 2.878 12.066 -7.823 1.00 0.00 O ATOM 900 CB ASP A 63 4.264 14.751 -7.135 1.00 0.00 C ATOM 901 CG ASP A 63 5.025 15.681 -6.189 1.00 0.00 C ATOM 902 OD1 ASP A 63 4.683 15.713 -5.019 1.00 0.00 O ATOM 903 OD2 ASP A 63 5.939 16.345 -6.651 1.00 0.00 O ATOM 0 H ASP A 63 5.244 13.390 -8.960 1.00 0.00 H new ATOM 0 HA ASP A 63 5.247 13.201 -5.956 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.454 15.034 -8.170 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.191 14.846 -6.970 1.00 0.00 H new ATOM 908 N LYS A 64 3.156 11.903 -5.649 1.00 0.00 N ATOM 909 CA LYS A 64 1.991 10.978 -5.527 1.00 0.00 C ATOM 910 C LYS A 64 2.020 9.949 -6.662 1.00 0.00 C ATOM 911 O LYS A 64 1.075 9.813 -7.414 1.00 0.00 O ATOM 912 CB LYS A 64 0.754 11.871 -5.642 1.00 0.00 C ATOM 913 CG LYS A 64 0.780 12.929 -4.538 1.00 0.00 C ATOM 914 CD LYS A 64 1.045 14.303 -5.155 1.00 0.00 C ATOM 915 CE LYS A 64 -0.233 14.823 -5.817 1.00 0.00 C ATOM 916 NZ LYS A 64 -0.774 15.832 -4.865 1.00 0.00 N ATOM 0 H LYS A 64 3.632 12.121 -4.774 1.00 0.00 H new ATOM 0 HA LYS A 64 2.000 10.422 -4.589 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.730 12.352 -6.620 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.151 11.268 -5.561 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.170 12.936 -4.003 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.554 12.690 -3.809 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.378 15.000 -4.386 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.846 14.234 -5.891 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.021 15.270 -6.788 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.947 14.017 -5.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.653 16.235 -5.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.972 15.376 -3.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.076 16.590 -4.729 1.00 0.00 H new ATOM 930 N CYS A 65 3.090 9.208 -6.777 1.00 0.00 N ATOM 931 CA CYS A 65 3.164 8.168 -7.853 1.00 0.00 C ATOM 932 C CYS A 65 2.690 6.839 -7.275 1.00 0.00 C ATOM 933 O CYS A 65 3.119 5.779 -7.685 1.00 0.00 O ATOM 934 CB CYS A 65 4.623 8.044 -8.349 1.00 0.00 C ATOM 935 SG CYS A 65 5.695 9.330 -7.662 1.00 0.00 S ATOM 0 H CYS A 65 3.913 9.274 -6.178 1.00 0.00 H new ATOM 0 HA CYS A 65 2.531 8.448 -8.695 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.015 7.064 -8.076 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.640 8.103 -9.437 1.00 0.00 H new ATOM 940 N ASN A 66 1.808 6.894 -6.314 1.00 0.00 N ATOM 941 CA ASN A 66 1.301 5.642 -5.689 1.00 0.00 C ATOM 942 C ASN A 66 -0.181 5.385 -6.043 1.00 0.00 C ATOM 943 O ASN A 66 -0.911 4.856 -5.227 1.00 0.00 O ATOM 944 CB ASN A 66 1.445 5.893 -4.186 1.00 0.00 C ATOM 945 CG ASN A 66 2.730 5.254 -3.670 1.00 0.00 C ATOM 946 OD1 ASN A 66 2.853 4.979 -2.493 1.00 0.00 O ATOM 947 ND2 ASN A 66 3.703 5.013 -4.498 1.00 0.00 N ATOM 0 H ASN A 66 1.416 7.756 -5.935 1.00 0.00 H new ATOM 0 HA ASN A 66 1.849 4.766 -6.037 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.457 6.965 -3.988 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.586 5.481 -3.656 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.569 4.593 -4.159 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.601 5.244 -5.486 1.00 0.00 H new ATOM 954 N PRO A 67 -0.598 5.765 -7.236 1.00 0.00 N ATOM 955 CA PRO A 67 -2.011 5.555 -7.636 1.00 0.00 C ATOM 956 C PRO A 67 -2.262 4.097 -8.033 1.00 0.00 C ATOM 957 O PRO A 67 -1.641 3.572 -8.935 1.00 0.00 O ATOM 958 CB PRO A 67 -2.183 6.459 -8.849 1.00 0.00 C ATOM 959 CG PRO A 67 -0.812 6.603 -9.426 1.00 0.00 C ATOM 960 CD PRO A 67 0.173 6.416 -8.302 1.00 0.00 C ATOM 0 HA PRO A 67 -2.706 5.778 -6.827 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -2.871 6.021 -9.572 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -2.594 7.427 -8.564 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -0.646 5.863 -10.209 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.690 7.585 -9.884 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.017 5.800 -8.613 1.00 0.00 H new ATOM 0 HD3 PRO A 67 0.581 7.371 -7.970 1.00 0.00 H new ATOM 968 N HIS A 68 -3.189 3.453 -7.384 1.00 0.00 N ATOM 969 CA HIS A 68 -3.514 2.043 -7.733 1.00 0.00 C ATOM 970 C HIS A 68 -5.003 1.984 -8.091 1.00 0.00 C ATOM 971 O HIS A 68 -5.632 3.016 -8.175 1.00 0.00 O ATOM 972 CB HIS A 68 -3.183 1.253 -6.462 1.00 0.00 C ATOM 973 CG HIS A 68 -4.272 1.431 -5.441 1.00 0.00 C ATOM 974 ND1 HIS A 68 -5.428 0.665 -5.436 1.00 0.00 N ATOM 975 CD2 HIS A 68 -4.387 2.291 -4.379 1.00 0.00 C ATOM 976 CE1 HIS A 68 -6.184 1.080 -4.403 1.00 0.00 C ATOM 977 NE2 HIS A 68 -5.595 2.070 -3.725 1.00 0.00 N ATOM 0 H HIS A 68 -3.740 3.846 -6.621 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.964 1.640 -8.583 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -3.069 0.196 -6.702 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -2.231 1.592 -6.052 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.651 3.028 -4.094 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -7.149 0.664 -4.152 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -5.954 2.558 -2.905 1.00 0.00 H new ATOM 985 N PRO A 69 -5.542 0.809 -8.294 1.00 0.00 N ATOM 986 CA PRO A 69 -6.981 0.721 -8.634 1.00 0.00 C ATOM 987 C PRO A 69 -7.806 1.107 -7.406 1.00 0.00 C ATOM 988 O PRO A 69 -8.221 0.268 -6.630 1.00 0.00 O ATOM 989 CB PRO A 69 -7.176 -0.743 -9.019 1.00 0.00 C ATOM 990 CG PRO A 69 -6.072 -1.471 -8.326 1.00 0.00 C ATOM 991 CD PRO A 69 -4.909 -0.516 -8.231 1.00 0.00 C ATOM 0 HA PRO A 69 -7.294 1.388 -9.438 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -8.152 -1.109 -8.700 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -7.122 -0.878 -10.099 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -6.387 -1.796 -7.334 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -5.792 -2.366 -8.881 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.354 -0.651 -7.303 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -4.203 -0.662 -9.048 1.00 0.00 H new ATOM 999 N LYS A 70 -8.023 2.381 -7.214 1.00 0.00 N ATOM 1000 CA LYS A 70 -8.793 2.844 -6.026 1.00 0.00 C ATOM 1001 C LYS A 70 -10.267 3.023 -6.379 1.00 0.00 C ATOM 1002 O LYS A 70 -11.135 2.405 -5.800 1.00 0.00 O ATOM 1003 CB LYS A 70 -8.185 4.199 -5.644 1.00 0.00 C ATOM 1004 CG LYS A 70 -6.674 4.201 -5.894 1.00 0.00 C ATOM 1005 CD LYS A 70 -6.014 5.263 -5.014 1.00 0.00 C ATOM 1006 CE LYS A 70 -5.802 6.541 -5.830 1.00 0.00 C ATOM 1007 NZ LYS A 70 -7.168 7.097 -6.040 1.00 0.00 N ATOM 0 H LYS A 70 -7.698 3.124 -7.833 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.738 2.123 -5.211 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.656 4.992 -6.225 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.386 4.411 -4.594 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.257 3.219 -5.672 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.469 4.405 -6.945 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.640 5.472 -4.146 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.059 4.897 -4.637 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.166 7.248 -5.297 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.313 6.326 -6.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.114 8.133 -6.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.569 6.711 -6.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.776 6.836 -5.238 1.00 0.00 H new ATOM 1021 N GLN A 71 -10.558 3.876 -7.316 1.00 0.00 N ATOM 1022 CA GLN A 71 -11.978 4.101 -7.692 1.00 0.00 C ATOM 1023 C GLN A 71 -12.300 3.380 -9.003 1.00 0.00 C ATOM 1024 O GLN A 71 -12.755 3.980 -9.956 1.00 0.00 O ATOM 1025 CB GLN A 71 -12.099 5.616 -7.857 1.00 0.00 C ATOM 1026 CG GLN A 71 -12.422 6.252 -6.504 1.00 0.00 C ATOM 1027 CD GLN A 71 -11.246 7.121 -6.056 1.00 0.00 C ATOM 1028 OE1 GLN A 71 -10.301 6.593 -5.328 1.00 0.00 O flip ATOM 1029 NE2 GLN A 71 -11.187 8.293 -6.371 1.00 0.00 N flip ATOM 0 H GLN A 71 -9.876 4.427 -7.837 1.00 0.00 H new ATOM 0 HA GLN A 71 -12.675 3.716 -6.948 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.168 6.025 -8.250 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -12.881 5.853 -8.578 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -13.326 6.856 -6.581 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -12.618 5.477 -5.763 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -11.926 8.706 -6.940 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.399 8.864 -6.066 1.00 0.00 H new ATOM 1038 N ARG A 72 -12.068 2.096 -9.058 1.00 0.00 N ATOM 1039 CA ARG A 72 -12.364 1.341 -10.309 1.00 0.00 C ATOM 1040 C ARG A 72 -13.568 0.418 -10.097 1.00 0.00 C ATOM 1041 O ARG A 72 -13.607 -0.342 -9.150 1.00 0.00 O ATOM 1042 CB ARG A 72 -11.101 0.524 -10.585 1.00 0.00 C ATOM 1043 CG ARG A 72 -11.353 -0.432 -11.753 1.00 0.00 C ATOM 1044 CD ARG A 72 -10.971 0.254 -13.066 1.00 0.00 C ATOM 1045 NE ARG A 72 -9.744 -0.453 -13.524 1.00 0.00 N ATOM 1046 CZ ARG A 72 -8.719 0.230 -13.955 1.00 0.00 C ATOM 1047 NH1 ARG A 72 -8.367 1.330 -13.347 1.00 0.00 N ATOM 1048 NH2 ARG A 72 -8.047 -0.186 -14.993 1.00 0.00 N ATOM 0 H ARG A 72 -11.687 1.539 -8.293 1.00 0.00 H new ATOM 0 HA ARG A 72 -12.613 1.999 -11.141 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.270 1.189 -10.819 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -10.818 -0.039 -9.696 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -10.769 -1.343 -11.623 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -12.402 -0.726 -11.776 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -11.771 0.173 -13.801 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.782 1.317 -12.916 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.704 -1.472 -13.501 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -8.893 1.655 -12.536 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.566 1.865 -13.683 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.323 -1.045 -15.468 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.246 0.348 -15.329 1.00 0.00 H new ATOM 1062 N PRO A 73 -14.515 0.518 -10.991 1.00 0.00 N ATOM 1063 CA PRO A 73 -15.737 -0.319 -10.903 1.00 0.00 C ATOM 1064 C PRO A 73 -15.419 -1.773 -11.261 1.00 0.00 C ATOM 1065 O PRO A 73 -14.474 -2.055 -11.971 1.00 0.00 O ATOM 1066 CB PRO A 73 -16.673 0.304 -11.936 1.00 0.00 C ATOM 1067 CG PRO A 73 -15.770 0.984 -12.915 1.00 0.00 C ATOM 1068 CD PRO A 73 -14.538 1.408 -12.157 1.00 0.00 C ATOM 0 HA PRO A 73 -16.169 -0.342 -9.902 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -17.284 -0.455 -12.424 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -17.358 1.014 -11.471 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -15.508 0.310 -13.731 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -16.265 1.847 -13.361 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.639 1.296 -12.762 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -14.593 2.455 -11.859 1.00 0.00 H new ATOM 1076 N GLY A 74 -16.201 -2.698 -10.775 1.00 0.00 N ATOM 1077 CA GLY A 74 -15.943 -4.132 -11.088 1.00 0.00 C ATOM 1078 C GLY A 74 -17.222 -4.942 -10.870 1.00 0.00 C ATOM 1079 O GLY A 74 -17.607 -5.106 -9.724 1.00 0.00 O ATOM 1080 OXT GLY A 74 -17.794 -5.384 -11.852 1.00 0.00 O ATOM 0 H GLY A 74 -17.007 -2.523 -10.175 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -15.607 -4.235 -12.120 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -15.145 -4.516 -10.453 1.00 0.00 H new TER 1084 GLY A 74 ATOM 1085 N MET B 1 -12.620 -5.318 -2.296 1.00 0.00 N ATOM 1086 CA MET B 1 -12.748 -4.157 -1.369 1.00 0.00 C ATOM 1087 C MET B 1 -11.362 -3.676 -0.930 1.00 0.00 C ATOM 1088 O MET B 1 -10.364 -4.003 -1.538 1.00 0.00 O ATOM 1089 CB MET B 1 -13.538 -4.690 -0.176 1.00 0.00 C ATOM 1090 CG MET B 1 -14.982 -4.960 -0.600 1.00 0.00 C ATOM 1091 SD MET B 1 -15.427 -6.663 -0.180 1.00 0.00 S ATOM 1092 CE MET B 1 -17.154 -6.344 0.256 1.00 0.00 C ATOM 0 H1 MET B 1 -13.126 -5.113 -3.181 1.00 0.00 H new ATOM 0 H2 MET B 1 -11.615 -5.488 -2.503 1.00 0.00 H new ATOM 0 H3 MET B 1 -13.029 -6.164 -1.851 1.00 0.00 H new ATOM 0 HA MET B 1 -13.243 -3.306 -1.836 1.00 0.00 H new ATOM 0 HB2 MET B 1 -13.080 -5.606 0.197 1.00 0.00 H new ATOM 0 HB3 MET B 1 -13.516 -3.968 0.640 1.00 0.00 H new ATOM 0 HG2 MET B 1 -15.655 -4.263 -0.100 1.00 0.00 H new ATOM 0 HG3 MET B 1 -15.094 -4.798 -1.672 1.00 0.00 H new ATOM 0 HE1 MET B 1 -17.633 -7.277 0.553 1.00 0.00 H new ATOM 0 HE2 MET B 1 -17.195 -5.636 1.083 1.00 0.00 H new ATOM 0 HE3 MET B 1 -17.676 -5.927 -0.605 1.00 0.00 H new ATOM 1104 N ARG B 2 -11.289 -2.903 0.120 1.00 0.00 N ATOM 1105 CA ARG B 2 -9.959 -2.411 0.583 1.00 0.00 C ATOM 1106 C ARG B 2 -9.319 -1.569 -0.505 1.00 0.00 C ATOM 1107 O ARG B 2 -9.928 -1.267 -1.509 1.00 0.00 O ATOM 1108 CB ARG B 2 -9.116 -3.678 0.770 1.00 0.00 C ATOM 1109 CG ARG B 2 -8.247 -3.535 2.021 1.00 0.00 C ATOM 1110 CD ARG B 2 -7.753 -4.915 2.463 1.00 0.00 C ATOM 1111 NE ARG B 2 -6.451 -4.659 3.140 1.00 0.00 N ATOM 1112 CZ ARG B 2 -6.411 -3.935 4.226 1.00 0.00 C ATOM 1113 NH1 ARG B 2 -7.317 -4.096 5.151 1.00 0.00 N ATOM 1114 NH2 ARG B 2 -5.464 -3.051 4.386 1.00 0.00 N ATOM 0 H ARG B 2 -12.087 -2.592 0.674 1.00 0.00 H new ATOM 0 HA ARG B 2 -10.039 -1.810 1.489 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -9.765 -4.549 0.863 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -8.487 -3.841 -0.105 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -7.398 -2.883 1.814 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -8.820 -3.069 2.823 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -8.463 -5.390 3.140 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -7.630 -5.582 1.610 1.00 0.00 H new ATOM 0 HE ARG B 2 -5.591 -5.049 2.755 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -8.056 -4.787 5.026 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -7.286 -3.531 5.999 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -4.756 -2.926 3.663 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -5.432 -2.485 5.234 1.00 0.00 H new ATOM 1128 N TYR B 3 -8.064 -1.269 -0.356 1.00 0.00 N ATOM 1129 CA TYR B 3 -7.356 -0.541 -1.436 1.00 0.00 C ATOM 1130 C TYR B 3 -6.622 -1.616 -2.209 1.00 0.00 C ATOM 1131 O TYR B 3 -5.498 -1.456 -2.638 1.00 0.00 O ATOM 1132 CB TYR B 3 -6.353 0.431 -0.798 1.00 0.00 C ATOM 1133 CG TYR B 3 -6.615 0.602 0.677 1.00 0.00 C ATOM 1134 CD1 TYR B 3 -7.581 1.510 1.120 1.00 0.00 C ATOM 1135 CD2 TYR B 3 -5.878 -0.145 1.601 1.00 0.00 C ATOM 1136 CE1 TYR B 3 -7.813 1.669 2.490 1.00 0.00 C ATOM 1137 CE2 TYR B 3 -6.109 0.013 2.970 1.00 0.00 C ATOM 1138 CZ TYR B 3 -7.076 0.920 3.415 1.00 0.00 C ATOM 1139 OH TYR B 3 -7.304 1.072 4.766 1.00 0.00 O ATOM 0 H TYR B 3 -7.500 -1.495 0.463 1.00 0.00 H new ATOM 0 HA TYR B 3 -8.024 0.034 -2.077 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -5.339 0.061 -0.948 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -6.416 1.399 -1.295 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -8.148 2.088 0.405 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -5.130 -0.844 1.257 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -8.560 2.369 2.834 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -5.541 -0.565 3.684 1.00 0.00 H new ATOM 0 HH TYR B 3 -7.748 1.930 4.928 1.00 0.00 H new ATOM 1149 N TYR B 4 -7.272 -2.737 -2.355 1.00 0.00 N ATOM 1150 CA TYR B 4 -6.664 -3.879 -3.060 1.00 0.00 C ATOM 1151 C TYR B 4 -6.464 -3.530 -4.518 1.00 0.00 C ATOM 1152 O TYR B 4 -6.522 -2.385 -4.921 1.00 0.00 O ATOM 1153 CB TYR B 4 -7.719 -4.982 -2.958 1.00 0.00 C ATOM 1154 CG TYR B 4 -7.170 -6.196 -2.255 1.00 0.00 C ATOM 1155 CD1 TYR B 4 -6.671 -6.095 -0.952 1.00 0.00 C ATOM 1156 CD2 TYR B 4 -7.177 -7.432 -2.910 1.00 0.00 C ATOM 1157 CE1 TYR B 4 -6.178 -7.234 -0.306 1.00 0.00 C ATOM 1158 CE2 TYR B 4 -6.683 -8.569 -2.267 1.00 0.00 C ATOM 1159 CZ TYR B 4 -6.183 -8.472 -0.964 1.00 0.00 C ATOM 1160 OH TYR B 4 -5.696 -9.595 -0.329 1.00 0.00 O ATOM 0 H TYR B 4 -8.216 -2.904 -2.006 1.00 0.00 H new ATOM 0 HA TYR B 4 -5.698 -4.163 -2.643 1.00 0.00 H new ATOM 0 HB2 TYR B 4 -8.589 -4.608 -2.418 1.00 0.00 H new ATOM 0 HB3 TYR B 4 -8.058 -5.259 -3.956 1.00 0.00 H new ATOM 0 HD1 TYR B 4 -6.666 -5.141 -0.446 1.00 0.00 H new ATOM 0 HD2 TYR B 4 -7.565 -7.507 -3.915 1.00 0.00 H new ATOM 0 HE1 TYR B 4 -5.793 -7.159 0.700 1.00 0.00 H new ATOM 0 HE2 TYR B 4 -6.687 -9.522 -2.775 1.00 0.00 H new ATOM 0 HH TYR B 4 -5.775 -10.368 -0.926 1.00 0.00 H new ATOM 1170 N GLU B 5 -6.247 -4.520 -5.306 1.00 0.00 N ATOM 1171 CA GLU B 5 -6.056 -4.280 -6.763 1.00 0.00 C ATOM 1172 C GLU B 5 -7.418 -4.251 -7.465 1.00 0.00 C ATOM 1173 O GLU B 5 -7.635 -4.928 -8.450 1.00 0.00 O ATOM 1174 CB GLU B 5 -5.213 -5.452 -7.259 1.00 0.00 C ATOM 1175 CG GLU B 5 -5.961 -6.764 -7.015 1.00 0.00 C ATOM 1176 CD GLU B 5 -5.368 -7.862 -7.899 1.00 0.00 C ATOM 1177 OE1 GLU B 5 -4.282 -8.323 -7.591 1.00 0.00 O ATOM 1178 OE2 GLU B 5 -6.012 -8.225 -8.871 1.00 0.00 O ATOM 0 H GLU B 5 -6.191 -5.496 -5.015 1.00 0.00 H new ATOM 0 HA GLU B 5 -5.569 -3.327 -6.968 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -5.000 -5.336 -8.322 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -4.254 -5.467 -6.742 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -5.886 -7.048 -5.965 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -7.021 -6.637 -7.236 1.00 0.00 H new ATOM 1185 N SER B 6 -8.341 -3.474 -6.958 1.00 0.00 N ATOM 1186 CA SER B 6 -9.692 -3.406 -7.591 1.00 0.00 C ATOM 1187 C SER B 6 -10.358 -2.053 -7.305 1.00 0.00 C ATOM 1188 O SER B 6 -10.968 -1.460 -8.170 1.00 0.00 O ATOM 1189 CB SER B 6 -10.486 -4.539 -6.943 1.00 0.00 C ATOM 1190 OG SER B 6 -11.853 -4.159 -6.850 1.00 0.00 O ATOM 0 H SER B 6 -8.218 -2.885 -6.135 1.00 0.00 H new ATOM 0 HA SER B 6 -9.641 -3.505 -8.675 1.00 0.00 H new ATOM 0 HB2 SER B 6 -10.389 -5.451 -7.533 1.00 0.00 H new ATOM 0 HB3 SER B 6 -10.089 -4.757 -5.952 1.00 0.00 H new ATOM 0 HG SER B 6 -11.953 -3.462 -6.168 1.00 0.00 H new ATOM 1196 N SER B 7 -10.250 -1.563 -6.098 1.00 0.00 N ATOM 1197 CA SER B 7 -10.882 -0.251 -5.765 1.00 0.00 C ATOM 1198 C SER B 7 -10.632 0.100 -4.293 1.00 0.00 C ATOM 1199 O SER B 7 -9.749 -0.444 -3.663 1.00 0.00 O ATOM 1200 CB SER B 7 -12.375 -0.456 -6.021 1.00 0.00 C ATOM 1201 OG SER B 7 -12.684 -1.840 -5.913 1.00 0.00 O ATOM 0 H SER B 7 -9.753 -2.013 -5.329 1.00 0.00 H new ATOM 0 HA SER B 7 -10.474 0.567 -6.359 1.00 0.00 H new ATOM 0 HB2 SER B 7 -12.961 0.117 -5.302 1.00 0.00 H new ATOM 0 HB3 SER B 7 -12.640 -0.089 -7.013 1.00 0.00 H new ATOM 0 HG SER B 7 -13.641 -1.975 -6.075 1.00 0.00 H new ATOM 1207 N LEU B 8 -11.406 1.001 -3.739 1.00 0.00 N ATOM 1208 CA LEU B 8 -11.211 1.379 -2.306 1.00 0.00 C ATOM 1209 C LEU B 8 -12.458 1.022 -1.490 1.00 0.00 C ATOM 1210 O LEU B 8 -13.512 1.598 -1.674 1.00 0.00 O ATOM 1211 CB LEU B 8 -11.019 2.901 -2.295 1.00 0.00 C ATOM 1212 CG LEU B 8 -9.747 3.314 -3.048 1.00 0.00 C ATOM 1213 CD1 LEU B 8 -9.252 4.648 -2.487 1.00 0.00 C ATOM 1214 CD2 LEU B 8 -8.647 2.261 -2.876 1.00 0.00 C ATOM 0 H LEU B 8 -12.163 1.490 -4.217 1.00 0.00 H new ATOM 0 HA LEU B 8 -10.361 0.853 -1.871 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -11.885 3.381 -2.751 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -10.964 3.254 -1.265 1.00 0.00 H new ATOM 0 HG LEU B 8 -9.980 3.406 -4.109 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -8.348 4.952 -3.015 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -10.023 5.407 -2.621 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -9.032 4.537 -1.425 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -7.755 2.575 -3.418 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -8.409 2.153 -1.818 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -8.993 1.305 -3.270 1.00 0.00 H new ATOM 1226 N LYS B 9 -12.347 0.093 -0.583 1.00 0.00 N ATOM 1227 CA LYS B 9 -13.532 -0.281 0.246 1.00 0.00 C ATOM 1228 C LYS B 9 -13.071 -0.783 1.615 1.00 0.00 C ATOM 1229 O LYS B 9 -13.406 -1.879 2.014 1.00 0.00 O ATOM 1230 CB LYS B 9 -14.238 -1.406 -0.518 1.00 0.00 C ATOM 1231 CG LYS B 9 -14.185 -1.136 -2.024 1.00 0.00 C ATOM 1232 CD LYS B 9 -15.076 -2.142 -2.755 1.00 0.00 C ATOM 1233 CE LYS B 9 -15.902 -1.415 -3.818 1.00 0.00 C ATOM 1234 NZ LYS B 9 -17.231 -2.088 -3.799 1.00 0.00 N ATOM 0 H LYS B 9 -11.492 -0.423 -0.378 1.00 0.00 H new ATOM 0 HA LYS B 9 -14.195 0.568 0.412 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -13.762 -2.361 -0.295 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -15.275 -1.483 -0.191 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -14.518 -0.120 -2.234 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -13.159 -1.216 -2.382 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -14.464 -2.915 -3.220 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -15.736 -2.642 -2.046 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -15.994 -0.353 -3.589 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -15.435 -1.490 -4.800 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -17.855 -1.644 -4.503 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -17.113 -3.096 -4.027 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -17.654 -1.994 -2.854 1.00 0.00 H new ATOM 1248 N SER B 10 -12.300 0.017 2.319 1.00 0.00 N ATOM 1249 CA SER B 10 -11.780 -0.379 3.673 1.00 0.00 C ATOM 1250 C SER B 10 -12.618 -1.499 4.295 1.00 0.00 C ATOM 1251 O SER B 10 -13.547 -1.257 5.039 1.00 0.00 O ATOM 1252 CB SER B 10 -11.885 0.891 4.516 1.00 0.00 C ATOM 1253 OG SER B 10 -10.668 1.087 5.223 1.00 0.00 O ATOM 0 H SER B 10 -12.004 0.942 2.008 1.00 0.00 H new ATOM 0 HA SER B 10 -10.762 -0.763 3.612 1.00 0.00 H new ATOM 0 HB2 SER B 10 -12.090 1.750 3.877 1.00 0.00 H new ATOM 0 HB3 SER B 10 -12.717 0.809 5.216 1.00 0.00 H new ATOM 0 HG SER B 10 -10.731 1.902 5.764 1.00 0.00 H new ATOM 1259 N TYR B 11 -12.296 -2.727 3.987 1.00 0.00 N ATOM 1260 CA TYR B 11 -13.073 -3.866 4.551 1.00 0.00 C ATOM 1261 C TYR B 11 -12.204 -4.665 5.531 1.00 0.00 C ATOM 1262 O TYR B 11 -11.071 -4.989 5.233 1.00 0.00 O ATOM 1263 CB TYR B 11 -13.477 -4.709 3.329 1.00 0.00 C ATOM 1264 CG TYR B 11 -12.423 -5.755 3.022 1.00 0.00 C ATOM 1265 CD1 TYR B 11 -12.324 -6.897 3.825 1.00 0.00 C ATOM 1266 CD2 TYR B 11 -11.552 -5.586 1.935 1.00 0.00 C ATOM 1267 CE1 TYR B 11 -11.358 -7.870 3.545 1.00 0.00 C ATOM 1268 CE2 TYR B 11 -10.586 -6.562 1.657 1.00 0.00 C ATOM 1269 CZ TYR B 11 -10.489 -7.703 2.461 1.00 0.00 C ATOM 1270 OH TYR B 11 -9.537 -8.663 2.185 1.00 0.00 O ATOM 0 H TYR B 11 -11.528 -2.989 3.369 1.00 0.00 H new ATOM 0 HA TYR B 11 -13.947 -3.544 5.117 1.00 0.00 H new ATOM 0 HB2 TYR B 11 -14.434 -5.196 3.518 1.00 0.00 H new ATOM 0 HB3 TYR B 11 -13.614 -4.060 2.464 1.00 0.00 H new ATOM 0 HD1 TYR B 11 -12.994 -7.027 4.662 1.00 0.00 H new ATOM 0 HD2 TYR B 11 -11.626 -4.706 1.314 1.00 0.00 H new ATOM 0 HE1 TYR B 11 -11.283 -8.750 4.166 1.00 0.00 H new ATOM 0 HE2 TYR B 11 -9.915 -6.433 0.821 1.00 0.00 H new ATOM 0 HH TYR B 11 -8.643 -8.268 2.260 1.00 0.00 H new ATOM 1280 N PRO B 12 -12.768 -4.954 6.672 1.00 0.00 N ATOM 1281 CA PRO B 12 -12.036 -5.721 7.709 1.00 0.00 C ATOM 1282 C PRO B 12 -11.908 -7.190 7.295 1.00 0.00 C ATOM 1283 O PRO B 12 -10.823 -7.731 7.220 1.00 0.00 O ATOM 1284 CB PRO B 12 -12.916 -5.579 8.947 1.00 0.00 C ATOM 1285 CG PRO B 12 -14.289 -5.311 8.419 1.00 0.00 C ATOM 1286 CD PRO B 12 -14.126 -4.599 7.100 1.00 0.00 C ATOM 0 HA PRO B 12 -11.020 -5.362 7.872 1.00 0.00 H new ATOM 0 HB2 PRO B 12 -12.896 -6.486 9.551 1.00 0.00 H new ATOM 0 HB3 PRO B 12 -12.572 -4.764 9.584 1.00 0.00 H new ATOM 0 HG2 PRO B 12 -14.840 -6.242 8.288 1.00 0.00 H new ATOM 0 HG3 PRO B 12 -14.858 -4.699 9.119 1.00 0.00 H new ATOM 0 HD2 PRO B 12 -14.871 -4.926 6.375 1.00 0.00 H new ATOM 0 HD3 PRO B 12 -14.241 -3.521 7.211 1.00 0.00 H new ATOM 1294 N ASP B 13 -13.008 -7.838 7.025 1.00 0.00 N ATOM 1295 CA ASP B 13 -12.947 -9.270 6.615 1.00 0.00 C ATOM 1296 C ASP B 13 -14.251 -9.679 5.924 1.00 0.00 C ATOM 1297 O ASP B 13 -15.181 -8.890 5.943 1.00 0.00 O ATOM 1298 CB ASP B 13 -12.767 -10.047 7.919 1.00 0.00 C ATOM 1299 CG ASP B 13 -12.371 -11.491 7.603 1.00 0.00 C ATOM 1300 OD1 ASP B 13 -11.380 -11.675 6.917 1.00 0.00 O ATOM 1301 OD2 ASP B 13 -13.068 -12.386 8.052 1.00 0.00 O ATOM 1302 OXT ASP B 13 -14.296 -10.774 5.388 1.00 0.00 O ATOM 0 H ASP B 13 -13.945 -7.439 7.070 1.00 0.00 H new ATOM 0 HA ASP B 13 -12.139 -9.463 5.909 1.00 0.00 H new ATOM 0 HB2 ASP B 13 -12.000 -9.575 8.533 1.00 0.00 H new ATOM 0 HB3 ASP B 13 -13.692 -10.030 8.495 1.00 0.00 H new TER 1307 ASP B 13