USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 678 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 70 LYS NZ :NH3+ 140:sc= -1.74 (180deg=-3.69) USER MOD Set 1.2: A 71 GLN : amide:sc= -0.0755 X(o=-1.8,f=-1.8) USER MOD Set 2.1: A 21 ASN : amide:sc= -2.41 K(o=-7.6,f=-6.4) USER MOD Set 2.2: A 61 SER OG : rot -50:sc= -5.18 USER MOD Set 3.1: A 8 THR OG1 : rot -65:sc= 1.26 USER MOD Set 3.2: A 9 SER OG : rot 53:sc= -0.144 USER MOD Set 4.1: A 4 HIS : no HE2:sc= -7.6! K(o=-11!,f=-7.6) USER MOD Set 4.2: A 6 THR OG1 : rot -27:sc= -2.92 USER MOD Single : A 1 ILE N :NH3+ 168:sc= -0.183 (180deg=-0.438) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 170:sc= 0 USER MOD Single : A 15 THR OG1 : rot -73:sc= 0.294 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -123:sc= -0.107 (180deg=-1.53) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0.0896 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 156:sc= -0.194 (180deg=-0.89) USER MOD Single : A 47 THR OG1 : rot 180:sc= -1.32 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -150:sc= -0.123 (180deg=-1.08) USER MOD Single : A 52 LYS NZ :NH3+ 158:sc= -0.0367 (180deg=-0.276) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc=-0.00347 USER MOD Single : A 62 THR OG1 : rot -48:sc= 0.937 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -5.64! C(o=-5.6!,f=-7.1!) USER MOD Single : A 68 HIS : no HD1:sc= -0.588 K(o=-0.59,f=-1.3!) USER MOD Single : B 181 TYR OH : rot 180:sc= 0 USER MOD Single : B 185 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 186 HIS : no HD1:sc= -0.28 X(o=-0.28,f=-0.52) USER MOD Single : B 189 TYR OH : rot 180:sc= 0 USER MOD Single : B 190 TYR OH : rot 180:sc= 0 USER MOD Single : B 191 THR OG1 : rot -140:sc= -3.24 USER MOD Single : B 196 THR OG1 : rot 180:sc= 0 USER MOD Single : B 198 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -2.320 16.250 -5.448 1.00 0.00 N ATOM 2 CA ILE A 1 -3.709 16.163 -5.970 1.00 0.00 C ATOM 3 C ILE A 1 -4.645 15.528 -4.941 1.00 0.00 C ATOM 4 O ILE A 1 -5.655 16.121 -4.563 1.00 0.00 O ATOM 5 CB ILE A 1 -3.764 15.360 -7.293 1.00 0.00 C ATOM 6 CG1 ILE A 1 -5.213 15.058 -7.694 1.00 0.00 C ATOM 7 CG2 ILE A 1 -2.967 14.069 -7.177 1.00 0.00 C ATOM 8 CD1 ILE A 1 -6.096 16.286 -7.755 1.00 0.00 C ATOM 0 H1 ILE A 1 -1.672 16.491 -6.225 1.00 0.00 H new ATOM 0 H2 ILE A 1 -2.270 16.986 -4.714 1.00 0.00 H new ATOM 0 H3 ILE A 1 -2.045 15.334 -5.039 1.00 0.00 H new ATOM 0 HA ILE A 1 -4.043 17.182 -6.168 1.00 0.00 H new ATOM 0 HB ILE A 1 -3.314 15.974 -8.073 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -5.217 14.570 -8.669 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -5.638 14.351 -6.982 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -3.021 13.522 -8.119 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -1.926 14.303 -6.952 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -3.382 13.456 -6.377 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -7.105 15.994 -8.045 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -6.123 16.763 -6.775 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -5.696 16.986 -8.489 1.00 0.00 H new ATOM 22 N VAL A 2 -4.307 14.321 -4.494 1.00 0.00 N ATOM 23 CA VAL A 2 -5.118 13.614 -3.515 1.00 0.00 C ATOM 24 C VAL A 2 -4.488 12.265 -3.160 1.00 0.00 C ATOM 25 O VAL A 2 -3.342 11.995 -3.523 1.00 0.00 O ATOM 26 CB VAL A 2 -6.557 13.413 -4.043 1.00 0.00 C ATOM 27 CG1 VAL A 2 -6.690 12.100 -4.801 1.00 0.00 C ATOM 28 CG2 VAL A 2 -7.557 13.493 -2.900 1.00 0.00 C ATOM 0 H VAL A 2 -3.475 13.814 -4.797 1.00 0.00 H new ATOM 0 HA VAL A 2 -5.162 14.221 -2.611 1.00 0.00 H new ATOM 0 HB VAL A 2 -6.777 14.217 -4.746 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -7.713 11.989 -5.159 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -6.006 12.099 -5.650 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -6.446 11.270 -4.137 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -8.565 13.350 -3.288 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -7.336 12.716 -2.168 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -7.487 14.471 -2.423 1.00 0.00 H new ATOM 38 N CYS A 3 -5.235 11.422 -2.451 1.00 0.00 N ATOM 39 CA CYS A 3 -4.736 10.108 -2.057 1.00 0.00 C ATOM 40 C CYS A 3 -5.861 9.079 -2.011 1.00 0.00 C ATOM 41 O CYS A 3 -5.743 7.995 -2.576 1.00 0.00 O ATOM 42 CB CYS A 3 -4.053 10.188 -0.690 1.00 0.00 C ATOM 43 SG CYS A 3 -2.641 9.055 -0.499 1.00 0.00 S ATOM 0 H CYS A 3 -6.185 11.625 -2.139 1.00 0.00 H new ATOM 0 HA CYS A 3 -4.011 9.790 -2.806 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.710 11.210 -0.526 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -4.788 9.970 0.085 1.00 0.00 H new ATOM 48 N HIS A 4 -6.944 9.428 -1.324 1.00 0.00 N ATOM 49 CA HIS A 4 -8.102 8.546 -1.181 1.00 0.00 C ATOM 50 C HIS A 4 -7.687 7.180 -0.633 1.00 0.00 C ATOM 51 O HIS A 4 -7.018 6.400 -1.306 1.00 0.00 O ATOM 52 CB HIS A 4 -8.857 8.422 -2.516 1.00 0.00 C ATOM 53 CG HIS A 4 -8.386 7.320 -3.421 1.00 0.00 C ATOM 54 ND1 HIS A 4 -8.872 6.033 -3.350 1.00 0.00 N ATOM 55 CD2 HIS A 4 -7.493 7.326 -4.440 1.00 0.00 C ATOM 56 CE1 HIS A 4 -8.300 5.296 -4.285 1.00 0.00 C ATOM 57 NE2 HIS A 4 -7.459 6.055 -4.959 1.00 0.00 N ATOM 0 H HIS A 4 -7.046 10.326 -0.852 1.00 0.00 H new ATOM 0 HA HIS A 4 -8.785 8.989 -0.456 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -9.915 8.267 -2.303 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -8.774 9.369 -3.050 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -9.566 5.701 -2.680 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -6.915 8.173 -4.781 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -8.489 4.248 -4.467 1.00 0.00 H new ATOM 66 N THR A 5 -8.080 6.911 0.608 1.00 0.00 N ATOM 67 CA THR A 5 -7.738 5.653 1.268 1.00 0.00 C ATOM 68 C THR A 5 -8.697 4.535 0.874 1.00 0.00 C ATOM 69 O THR A 5 -9.861 4.536 1.269 1.00 0.00 O ATOM 70 CB THR A 5 -7.748 5.834 2.788 1.00 0.00 C ATOM 71 OG1 THR A 5 -7.651 4.582 3.443 1.00 0.00 O ATOM 72 CG2 THR A 5 -8.992 6.525 3.303 1.00 0.00 C ATOM 0 H THR A 5 -8.636 7.547 1.179 1.00 0.00 H new ATOM 0 HA THR A 5 -6.737 5.370 0.942 1.00 0.00 H new ATOM 0 HB THR A 5 -6.886 6.464 3.008 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.657 4.719 4.413 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.933 6.620 4.387 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.070 7.516 2.855 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.871 5.937 3.038 1.00 0.00 H new ATOM 80 N THR A 6 -8.192 3.578 0.102 1.00 0.00 N ATOM 81 CA THR A 6 -8.999 2.447 -0.341 1.00 0.00 C ATOM 82 C THR A 6 -8.851 1.255 0.602 1.00 0.00 C ATOM 83 O THR A 6 -9.180 0.125 0.241 1.00 0.00 O ATOM 84 CB THR A 6 -8.598 2.036 -1.759 1.00 0.00 C ATOM 85 OG1 THR A 6 -8.390 3.177 -2.568 1.00 0.00 O ATOM 86 CG2 THR A 6 -9.629 1.169 -2.447 1.00 0.00 C ATOM 0 H THR A 6 -7.228 3.563 -0.230 1.00 0.00 H new ATOM 0 HA THR A 6 -10.043 2.760 -0.335 1.00 0.00 H new ATOM 0 HB THR A 6 -7.681 1.458 -1.644 1.00 0.00 H new ATOM 0 HG1 THR A 6 -8.932 3.921 -2.230 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.281 0.914 -3.448 1.00 0.00 H new ATOM 0 HG22 THR A 6 -9.779 0.255 -1.872 1.00 0.00 H new ATOM 0 HG23 THR A 6 -10.572 1.712 -2.518 1.00 0.00 H new ATOM 94 N ALA A 7 -8.356 1.511 1.811 1.00 0.00 N ATOM 95 CA ALA A 7 -8.170 0.454 2.799 1.00 0.00 C ATOM 96 C ALA A 7 -9.495 -0.225 3.126 1.00 0.00 C ATOM 97 O ALA A 7 -10.166 0.135 4.095 1.00 0.00 O ATOM 98 CB ALA A 7 -7.535 1.018 4.061 1.00 0.00 C ATOM 0 H ALA A 7 -8.077 2.439 2.128 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.502 -0.296 2.376 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.402 0.219 4.790 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.565 1.452 3.818 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.182 1.788 4.481 1.00 0.00 H new ATOM 104 N THR A 8 -9.871 -1.204 2.310 1.00 0.00 N ATOM 105 CA THR A 8 -11.120 -1.930 2.508 1.00 0.00 C ATOM 106 C THR A 8 -12.318 -0.984 2.434 1.00 0.00 C ATOM 107 O THR A 8 -13.406 -1.310 2.909 1.00 0.00 O ATOM 108 CB THR A 8 -11.107 -2.658 3.856 1.00 0.00 C ATOM 109 OG1 THR A 8 -11.516 -1.793 4.900 1.00 0.00 O ATOM 110 CG2 THR A 8 -9.748 -3.213 4.227 1.00 0.00 C ATOM 0 H THR A 8 -9.328 -1.513 1.504 1.00 0.00 H new ATOM 0 HA THR A 8 -11.213 -2.666 1.710 1.00 0.00 H new ATOM 0 HB THR A 8 -11.801 -3.490 3.738 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.857 -1.075 5.007 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.811 -3.715 5.192 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.426 -3.926 3.468 1.00 0.00 H new ATOM 0 HG23 THR A 8 -9.027 -2.398 4.289 1.00 0.00 H new ATOM 118 N SER A 9 -12.112 0.190 1.836 1.00 0.00 N ATOM 119 CA SER A 9 -13.172 1.186 1.700 1.00 0.00 C ATOM 120 C SER A 9 -12.603 2.524 1.234 1.00 0.00 C ATOM 121 O SER A 9 -11.993 3.251 2.019 1.00 0.00 O ATOM 122 CB SER A 9 -13.902 1.377 3.033 1.00 0.00 C ATOM 123 OG SER A 9 -12.999 1.309 4.124 1.00 0.00 O ATOM 0 H SER A 9 -11.217 0.474 1.437 1.00 0.00 H new ATOM 0 HA SER A 9 -13.878 0.824 0.953 1.00 0.00 H new ATOM 0 HB2 SER A 9 -14.411 2.341 3.038 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.669 0.611 3.144 1.00 0.00 H new ATOM 0 HG SER A 9 -12.257 1.931 3.974 1.00 0.00 H new ATOM 129 N PRO A 10 -12.794 2.876 -0.051 1.00 0.00 N ATOM 130 CA PRO A 10 -12.299 4.133 -0.607 1.00 0.00 C ATOM 131 C PRO A 10 -13.287 5.278 -0.369 1.00 0.00 C ATOM 132 O PRO A 10 -13.832 5.405 0.726 1.00 0.00 O ATOM 133 CB PRO A 10 -12.181 3.784 -2.087 1.00 0.00 C ATOM 134 CG PRO A 10 -13.369 2.931 -2.324 1.00 0.00 C ATOM 135 CD PRO A 10 -13.513 2.087 -1.077 1.00 0.00 C ATOM 0 HA PRO A 10 -11.368 4.483 -0.161 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -12.193 4.675 -2.714 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.254 3.254 -2.304 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -14.260 3.536 -2.494 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -13.235 2.307 -3.207 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -14.559 1.938 -0.810 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.073 1.098 -1.207 1.00 0.00 H new ATOM 143 N ILE A 11 -13.518 6.105 -1.390 1.00 0.00 N ATOM 144 CA ILE A 11 -14.448 7.232 -1.288 1.00 0.00 C ATOM 145 C ILE A 11 -14.122 8.178 -0.128 1.00 0.00 C ATOM 146 O ILE A 11 -14.825 9.166 0.090 1.00 0.00 O ATOM 147 CB ILE A 11 -15.902 6.729 -1.160 1.00 0.00 C ATOM 148 CG1 ILE A 11 -16.870 7.748 -1.761 1.00 0.00 C ATOM 149 CG2 ILE A 11 -16.281 6.417 0.288 1.00 0.00 C ATOM 150 CD1 ILE A 11 -18.031 7.119 -2.499 1.00 0.00 C ATOM 0 H ILE A 11 -13.071 6.015 -2.302 1.00 0.00 H new ATOM 0 HA ILE A 11 -14.336 7.803 -2.209 1.00 0.00 H new ATOM 0 HB ILE A 11 -15.974 5.795 -1.718 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -17.258 8.382 -0.964 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -16.323 8.396 -2.446 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -17.312 6.067 0.327 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -15.620 5.643 0.678 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -16.181 7.318 0.893 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -18.676 7.902 -2.898 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -17.653 6.507 -3.318 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -18.602 6.494 -1.813 1.00 0.00 H new ATOM 162 N SER A 12 -13.072 7.869 0.613 1.00 0.00 N ATOM 163 CA SER A 12 -12.670 8.688 1.751 1.00 0.00 C ATOM 164 C SER A 12 -12.157 10.050 1.299 1.00 0.00 C ATOM 165 O SER A 12 -12.492 11.077 1.890 1.00 0.00 O ATOM 166 CB SER A 12 -11.593 7.969 2.568 1.00 0.00 C ATOM 167 OG SER A 12 -11.891 8.006 3.952 1.00 0.00 O ATOM 0 H SER A 12 -12.479 7.055 0.449 1.00 0.00 H new ATOM 0 HA SER A 12 -13.549 8.846 2.376 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.513 6.933 2.238 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.625 8.436 2.389 1.00 0.00 H new ATOM 0 HG SER A 12 -11.282 7.408 4.434 1.00 0.00 H new ATOM 173 N ALA A 13 -11.337 10.054 0.254 1.00 0.00 N ATOM 174 CA ALA A 13 -10.775 11.293 -0.266 1.00 0.00 C ATOM 175 C ALA A 13 -9.968 12.013 0.808 1.00 0.00 C ATOM 176 O ALA A 13 -10.082 13.227 0.980 1.00 0.00 O ATOM 177 CB ALA A 13 -11.882 12.195 -0.796 1.00 0.00 C ATOM 0 H ALA A 13 -11.048 9.215 -0.248 1.00 0.00 H new ATOM 0 HA ALA A 13 -10.103 11.047 -1.088 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -11.447 13.117 -1.181 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -12.416 11.683 -1.597 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -12.577 12.431 0.010 1.00 0.00 H new ATOM 183 N VAL A 14 -9.152 11.252 1.534 1.00 0.00 N ATOM 184 CA VAL A 14 -8.324 11.807 2.598 1.00 0.00 C ATOM 185 C VAL A 14 -7.470 12.965 2.091 1.00 0.00 C ATOM 186 O VAL A 14 -7.282 13.962 2.788 1.00 0.00 O ATOM 187 CB VAL A 14 -7.399 10.734 3.206 1.00 0.00 C ATOM 188 CG1 VAL A 14 -8.205 9.717 3.998 1.00 0.00 C ATOM 189 CG2 VAL A 14 -6.589 10.050 2.115 1.00 0.00 C ATOM 0 H VAL A 14 -9.048 10.246 1.403 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.005 12.173 3.366 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.706 11.224 3.890 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -7.533 8.969 4.419 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -8.736 10.222 4.805 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -8.924 9.230 3.339 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -5.941 9.295 2.562 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.265 9.574 1.405 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.980 10.790 1.596 1.00 0.00 H new ATOM 199 N THR A 15 -6.954 12.822 0.874 1.00 0.00 N ATOM 200 CA THR A 15 -6.117 13.854 0.270 1.00 0.00 C ATOM 201 C THR A 15 -4.844 14.064 1.080 1.00 0.00 C ATOM 202 O THR A 15 -4.843 13.913 2.302 1.00 0.00 O ATOM 203 CB THR A 15 -6.884 15.177 0.155 1.00 0.00 C ATOM 204 OG1 THR A 15 -6.794 15.921 1.359 1.00 0.00 O ATOM 205 CG2 THR A 15 -8.353 15.000 -0.163 1.00 0.00 C ATOM 0 H THR A 15 -7.101 12.001 0.286 1.00 0.00 H new ATOM 0 HA THR A 15 -5.844 13.517 -0.730 1.00 0.00 H new ATOM 0 HB THR A 15 -6.412 15.705 -0.673 1.00 0.00 H new ATOM 0 HG1 THR A 15 -7.350 15.499 2.047 1.00 0.00 H new ATOM 0 HG21 THR A 15 -8.831 15.977 -0.229 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.459 14.479 -1.114 1.00 0.00 H new ATOM 0 HG23 THR A 15 -8.828 14.416 0.625 1.00 0.00 H new ATOM 213 N CYS A 16 -3.761 14.412 0.393 1.00 0.00 N ATOM 214 CA CYS A 16 -2.482 14.641 1.060 1.00 0.00 C ATOM 215 C CYS A 16 -1.876 15.990 0.668 1.00 0.00 C ATOM 216 O CYS A 16 -0.753 16.052 0.167 1.00 0.00 O ATOM 217 CB CYS A 16 -1.501 13.513 0.735 1.00 0.00 C ATOM 218 SG CYS A 16 -0.116 13.380 1.911 1.00 0.00 S ATOM 0 H CYS A 16 -3.742 14.541 -0.619 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.670 14.655 2.134 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.043 12.567 0.718 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.101 13.670 -0.267 1.00 0.00 H new ATOM 223 N PRO A 17 -2.610 17.094 0.899 1.00 0.00 N ATOM 224 CA PRO A 17 -2.134 18.443 0.575 1.00 0.00 C ATOM 225 C PRO A 17 -0.702 18.702 1.051 1.00 0.00 C ATOM 226 O PRO A 17 0.134 19.175 0.280 1.00 0.00 O ATOM 227 CB PRO A 17 -3.113 19.351 1.317 1.00 0.00 C ATOM 228 CG PRO A 17 -4.373 18.562 1.400 1.00 0.00 C ATOM 229 CD PRO A 17 -3.959 17.117 1.500 1.00 0.00 C ATOM 0 HA PRO A 17 -2.102 18.608 -0.502 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.741 19.608 2.309 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.267 20.288 0.782 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.962 18.859 2.268 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -4.995 18.729 0.521 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.941 16.777 2.535 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.648 16.466 0.962 1.00 0.00 H new ATOM 237 N PRO A 18 -0.391 18.407 2.330 1.00 0.00 N ATOM 238 CA PRO A 18 0.950 18.626 2.882 1.00 0.00 C ATOM 239 C PRO A 18 2.035 17.926 2.073 1.00 0.00 C ATOM 240 O PRO A 18 2.922 18.575 1.519 1.00 0.00 O ATOM 241 CB PRO A 18 0.876 18.037 4.298 1.00 0.00 C ATOM 242 CG PRO A 18 -0.369 17.217 4.327 1.00 0.00 C ATOM 243 CD PRO A 18 -1.307 17.846 3.338 1.00 0.00 C ATOM 0 HA PRO A 18 1.217 19.683 2.866 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.753 17.426 4.515 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.843 18.826 5.049 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -0.159 16.181 4.060 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -0.806 17.207 5.326 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -1.987 17.113 2.903 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -1.923 18.618 3.799 1.00 0.00 H new ATOM 251 N GLY A 19 1.961 16.599 2.011 1.00 0.00 N ATOM 252 CA GLY A 19 2.946 15.832 1.266 1.00 0.00 C ATOM 253 C GLY A 19 3.224 16.421 -0.103 1.00 0.00 C ATOM 254 O GLY A 19 2.396 17.150 -0.649 1.00 0.00 O ATOM 0 H GLY A 19 1.237 16.041 2.463 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.875 15.789 1.835 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.594 14.807 1.152 1.00 0.00 H new ATOM 258 N GLU A 20 4.395 16.119 -0.659 1.00 0.00 N ATOM 259 CA GLU A 20 4.763 16.648 -1.967 1.00 0.00 C ATOM 260 C GLU A 20 4.533 15.635 -3.081 1.00 0.00 C ATOM 261 O GLU A 20 5.397 15.420 -3.932 1.00 0.00 O ATOM 262 CB GLU A 20 6.217 17.137 -1.978 1.00 0.00 C ATOM 263 CG GLU A 20 7.185 16.227 -1.238 1.00 0.00 C ATOM 264 CD GLU A 20 8.381 15.836 -2.083 1.00 0.00 C ATOM 265 OE1 GLU A 20 8.237 15.776 -3.323 1.00 0.00 O ATOM 266 OE2 GLU A 20 9.461 15.590 -1.507 1.00 0.00 O ATOM 0 H GLU A 20 5.097 15.517 -0.229 1.00 0.00 H new ATOM 0 HA GLU A 20 4.109 17.499 -2.157 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.547 17.237 -3.012 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.258 18.131 -1.533 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.532 16.730 -0.335 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.660 15.326 -0.920 1.00 0.00 H new ATOM 273 N ASN A 21 3.344 15.043 -3.086 1.00 0.00 N ATOM 274 CA ASN A 21 2.960 14.073 -4.113 1.00 0.00 C ATOM 275 C ASN A 21 3.581 12.697 -3.877 1.00 0.00 C ATOM 276 O ASN A 21 4.312 12.181 -4.723 1.00 0.00 O ATOM 277 CB ASN A 21 3.332 14.595 -5.508 1.00 0.00 C ATOM 278 CG ASN A 21 2.133 14.681 -6.433 1.00 0.00 C ATOM 279 OD1 ASN A 21 1.206 15.456 -6.195 1.00 0.00 O ATOM 280 ND2 ASN A 21 2.147 13.884 -7.496 1.00 0.00 N ATOM 0 H ASN A 21 2.623 15.218 -2.386 1.00 0.00 H new ATOM 0 HA ASN A 21 1.879 13.952 -4.050 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.786 15.581 -5.414 1.00 0.00 H new ATOM 0 HB3 ASN A 21 4.082 13.939 -5.950 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.368 13.899 -8.155 1.00 0.00 H new ATOM 0 HD22 ASN A 21 2.936 13.258 -7.653 1.00 0.00 H new ATOM 287 N LEU A 22 3.263 12.093 -2.738 1.00 0.00 N ATOM 288 CA LEU A 22 3.768 10.755 -2.415 1.00 0.00 C ATOM 289 C LEU A 22 2.814 10.002 -1.490 1.00 0.00 C ATOM 290 O LEU A 22 2.846 10.172 -0.274 1.00 0.00 O ATOM 291 CB LEU A 22 5.170 10.807 -1.795 1.00 0.00 C ATOM 292 CG LEU A 22 5.484 12.003 -0.888 1.00 0.00 C ATOM 293 CD1 LEU A 22 5.842 13.223 -1.717 1.00 0.00 C ATOM 294 CD2 LEU A 22 4.325 12.311 0.053 1.00 0.00 C ATOM 0 H LEU A 22 2.661 12.502 -2.023 1.00 0.00 H new ATOM 0 HA LEU A 22 3.834 10.213 -3.358 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.319 9.895 -1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.900 10.795 -2.605 1.00 0.00 H new ATOM 0 HG LEU A 22 6.344 11.736 -0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.061 14.061 -1.055 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.718 13.004 -2.328 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.004 13.482 -2.364 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.583 13.164 0.681 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.435 12.546 -0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.127 11.444 0.683 1.00 0.00 H new ATOM 306 N CYS A 23 1.965 9.160 -2.076 1.00 0.00 N ATOM 307 CA CYS A 23 1.001 8.380 -1.303 1.00 0.00 C ATOM 308 C CYS A 23 1.596 7.049 -0.826 1.00 0.00 C ATOM 309 O CYS A 23 0.949 6.006 -0.913 1.00 0.00 O ATOM 310 CB CYS A 23 -0.256 8.127 -2.133 1.00 0.00 C ATOM 311 SG CYS A 23 -1.458 9.494 -2.090 1.00 0.00 S ATOM 0 H CYS A 23 1.925 9.001 -3.083 1.00 0.00 H new ATOM 0 HA CYS A 23 0.740 8.960 -0.418 1.00 0.00 H new ATOM 0 HB2 CYS A 23 0.035 7.944 -3.168 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.740 7.219 -1.773 1.00 0.00 H new ATOM 316 N TYR A 24 2.828 7.105 -0.312 1.00 0.00 N ATOM 317 CA TYR A 24 3.539 5.924 0.200 1.00 0.00 C ATOM 318 C TYR A 24 3.233 4.653 -0.606 1.00 0.00 C ATOM 319 O TYR A 24 3.939 4.351 -1.567 1.00 0.00 O ATOM 320 CB TYR A 24 3.220 5.713 1.687 1.00 0.00 C ATOM 321 CG TYR A 24 4.403 5.951 2.602 1.00 0.00 C ATOM 322 CD1 TYR A 24 5.342 6.937 2.318 1.00 0.00 C ATOM 323 CD2 TYR A 24 4.582 5.186 3.748 1.00 0.00 C ATOM 324 CE1 TYR A 24 6.422 7.152 3.152 1.00 0.00 C ATOM 325 CE2 TYR A 24 5.661 5.398 4.587 1.00 0.00 C ATOM 326 CZ TYR A 24 6.578 6.381 4.284 1.00 0.00 C ATOM 327 OH TYR A 24 7.652 6.596 5.115 1.00 0.00 O ATOM 0 H TYR A 24 3.363 7.970 -0.238 1.00 0.00 H new ATOM 0 HA TYR A 24 4.606 6.118 0.086 1.00 0.00 H new ATOM 0 HB2 TYR A 24 2.409 6.382 1.974 1.00 0.00 H new ATOM 0 HB3 TYR A 24 2.859 4.695 1.831 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.225 7.544 1.432 1.00 0.00 H new ATOM 0 HD2 TYR A 24 3.867 4.413 3.988 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.142 7.922 2.918 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.784 4.796 5.475 1.00 0.00 H new ATOM 0 HH TYR A 24 7.614 5.970 5.868 1.00 0.00 H new ATOM 337 N ARG A 25 2.181 3.920 -0.204 1.00 0.00 N ATOM 338 CA ARG A 25 1.759 2.675 -0.871 1.00 0.00 C ATOM 339 C ARG A 25 2.095 1.440 -0.035 1.00 0.00 C ATOM 340 O ARG A 25 1.208 0.668 0.328 1.00 0.00 O ATOM 341 CB ARG A 25 2.391 2.523 -2.260 1.00 0.00 C ATOM 342 CG ARG A 25 1.845 1.343 -3.049 1.00 0.00 C ATOM 343 CD ARG A 25 2.857 0.838 -4.065 1.00 0.00 C ATOM 344 NE ARG A 25 2.703 1.488 -5.364 1.00 0.00 N ATOM 345 CZ ARG A 25 1.777 1.147 -6.258 1.00 0.00 C ATOM 346 NH1 ARG A 25 0.918 0.170 -5.994 1.00 0.00 N ATOM 347 NH2 ARG A 25 1.710 1.786 -7.418 1.00 0.00 N ATOM 0 H ARG A 25 1.598 4.174 0.594 1.00 0.00 H new ATOM 0 HA ARG A 25 0.677 2.749 -0.981 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.225 3.438 -2.828 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.469 2.408 -2.149 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.581 0.537 -2.365 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.929 1.639 -3.561 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.865 1.013 -3.690 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.744 -0.240 -4.184 1.00 0.00 H new ATOM 0 HE ARG A 25 3.342 2.247 -5.600 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.965 -0.324 -5.103 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.211 -0.087 -6.682 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.367 2.538 -7.625 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.001 1.526 -8.104 1.00 0.00 H new ATOM 361 N LYS A 26 3.379 1.250 0.252 1.00 0.00 N ATOM 362 CA LYS A 26 3.834 0.097 1.026 1.00 0.00 C ATOM 363 C LYS A 26 3.498 -1.201 0.300 1.00 0.00 C ATOM 364 O LYS A 26 2.340 -1.452 -0.031 1.00 0.00 O ATOM 365 CB LYS A 26 3.192 0.094 2.410 1.00 0.00 C ATOM 366 CG LYS A 26 3.977 -0.698 3.444 1.00 0.00 C ATOM 367 CD LYS A 26 4.349 0.159 4.643 1.00 0.00 C ATOM 368 CE LYS A 26 4.776 -0.694 5.827 1.00 0.00 C ATOM 369 NZ LYS A 26 3.668 -1.555 6.324 1.00 0.00 N ATOM 0 H LYS A 26 4.126 1.881 -0.040 1.00 0.00 H new ATOM 0 HA LYS A 26 4.916 0.170 1.138 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.088 1.123 2.755 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.187 -0.320 2.334 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.385 -1.551 3.776 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.882 -1.097 2.987 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.159 0.836 4.370 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.498 0.778 4.927 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.619 -1.321 5.537 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.122 -0.047 6.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.499 -1.356 7.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.803 -1.355 5.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.927 -2.556 6.207 1.00 0.00 H new ATOM 383 N MET A 27 4.511 -2.025 0.045 1.00 0.00 N ATOM 384 CA MET A 27 4.289 -3.287 -0.652 1.00 0.00 C ATOM 385 C MET A 27 5.202 -4.392 -0.131 1.00 0.00 C ATOM 386 O MET A 27 6.392 -4.175 0.101 1.00 0.00 O ATOM 387 CB MET A 27 4.503 -3.104 -2.155 1.00 0.00 C ATOM 388 CG MET A 27 5.931 -2.741 -2.528 1.00 0.00 C ATOM 389 SD MET A 27 6.173 -2.614 -4.310 1.00 0.00 S ATOM 390 CE MET A 27 7.910 -3.029 -4.445 1.00 0.00 C ATOM 0 H MET A 27 5.480 -1.845 0.307 1.00 0.00 H new ATOM 0 HA MET A 27 3.259 -3.588 -0.463 1.00 0.00 H new ATOM 0 HB2 MET A 27 4.226 -4.025 -2.668 1.00 0.00 H new ATOM 0 HB3 MET A 27 3.833 -2.324 -2.516 1.00 0.00 H new ATOM 0 HG2 MET A 27 6.194 -1.792 -2.061 1.00 0.00 H new ATOM 0 HG3 MET A 27 6.610 -3.493 -2.126 1.00 0.00 H new ATOM 0 HE1 MET A 27 8.212 -2.994 -5.492 1.00 0.00 H new ATOM 0 HE2 MET A 27 8.501 -2.314 -3.873 1.00 0.00 H new ATOM 0 HE3 MET A 27 8.076 -4.032 -4.053 1.00 0.00 H new ATOM 400 N TRP A 28 4.633 -5.582 0.037 1.00 0.00 N ATOM 401 CA TRP A 28 5.385 -6.735 0.516 1.00 0.00 C ATOM 402 C TRP A 28 5.030 -7.978 -0.297 1.00 0.00 C ATOM 403 O TRP A 28 3.877 -8.167 -0.681 1.00 0.00 O ATOM 404 CB TRP A 28 5.102 -6.980 2.000 1.00 0.00 C ATOM 405 CG TRP A 28 6.191 -7.734 2.702 1.00 0.00 C ATOM 406 CD1 TRP A 28 7.451 -7.980 2.239 1.00 0.00 C ATOM 407 CD2 TRP A 28 6.113 -8.340 3.997 1.00 0.00 C ATOM 408 NE1 TRP A 28 8.162 -8.704 3.167 1.00 0.00 N ATOM 409 CE2 TRP A 28 7.362 -8.937 4.255 1.00 0.00 C ATOM 410 CE3 TRP A 28 5.109 -8.435 4.964 1.00 0.00 C ATOM 411 CZ2 TRP A 28 7.631 -9.618 5.438 1.00 0.00 C ATOM 412 CZ3 TRP A 28 5.377 -9.112 6.139 1.00 0.00 C ATOM 413 CH2 TRP A 28 6.629 -9.696 6.367 1.00 0.00 C ATOM 0 H TRP A 28 3.649 -5.772 -0.153 1.00 0.00 H new ATOM 0 HA TRP A 28 6.448 -6.527 0.392 1.00 0.00 H new ATOM 0 HB2 TRP A 28 4.957 -6.021 2.497 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.168 -7.533 2.097 1.00 0.00 H new ATOM 0 HD1 TRP A 28 7.834 -7.654 1.283 1.00 0.00 H new ATOM 0 HE1 TRP A 28 9.127 -9.017 3.063 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.141 -7.987 4.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 8.596 -10.069 5.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 4.608 -9.192 6.893 1.00 0.00 H new ATOM 0 HH2 TRP A 28 6.808 -10.219 7.295 1.00 0.00 H new ATOM 424 N CYS A 29 6.028 -8.817 -0.559 1.00 0.00 N ATOM 425 CA CYS A 29 5.824 -10.042 -1.331 1.00 0.00 C ATOM 426 C CYS A 29 5.537 -9.737 -2.800 1.00 0.00 C ATOM 427 O CYS A 29 5.146 -10.624 -3.557 1.00 0.00 O ATOM 428 CB CYS A 29 4.687 -10.875 -0.730 1.00 0.00 C ATOM 429 SG CYS A 29 4.521 -12.547 -1.443 1.00 0.00 S ATOM 0 H CYS A 29 6.989 -8.672 -0.248 1.00 0.00 H new ATOM 0 HA CYS A 29 6.748 -10.619 -1.283 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.847 -10.965 0.344 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.748 -10.339 -0.868 1.00 0.00 H new ATOM 434 N ASP A 30 5.738 -8.484 -3.201 1.00 0.00 N ATOM 435 CA ASP A 30 5.501 -8.076 -4.581 1.00 0.00 C ATOM 436 C ASP A 30 6.803 -8.056 -5.379 1.00 0.00 C ATOM 437 O ASP A 30 7.068 -7.116 -6.129 1.00 0.00 O ATOM 438 CB ASP A 30 4.844 -6.695 -4.619 1.00 0.00 C ATOM 439 CG ASP A 30 3.857 -6.555 -5.761 1.00 0.00 C ATOM 440 OD1 ASP A 30 4.301 -6.309 -6.902 1.00 0.00 O ATOM 441 OD2 ASP A 30 2.640 -6.691 -5.515 1.00 0.00 O ATOM 0 H ASP A 30 6.064 -7.735 -2.590 1.00 0.00 H new ATOM 0 HA ASP A 30 4.831 -8.804 -5.038 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.331 -6.514 -3.675 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.616 -5.931 -4.714 1.00 0.00 H new ATOM 446 N ALA A 31 7.609 -9.100 -5.216 1.00 0.00 N ATOM 447 CA ALA A 31 8.881 -9.207 -5.924 1.00 0.00 C ATOM 448 C ALA A 31 9.586 -10.520 -5.587 1.00 0.00 C ATOM 449 O ALA A 31 9.400 -11.525 -6.274 1.00 0.00 O ATOM 450 CB ALA A 31 9.771 -8.015 -5.599 1.00 0.00 C ATOM 0 H ALA A 31 7.404 -9.886 -4.599 1.00 0.00 H new ATOM 0 HA ALA A 31 8.678 -9.203 -6.995 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.716 -8.110 -6.135 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.272 -7.095 -5.903 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.963 -7.986 -4.526 1.00 0.00 H new ATOM 456 N PHE A 32 10.387 -10.512 -4.523 1.00 0.00 N ATOM 457 CA PHE A 32 11.105 -11.708 -4.098 1.00 0.00 C ATOM 458 C PHE A 32 10.332 -12.417 -2.991 1.00 0.00 C ATOM 459 O PHE A 32 10.679 -12.321 -1.814 1.00 0.00 O ATOM 460 CB PHE A 32 12.511 -11.341 -3.614 1.00 0.00 C ATOM 461 CG PHE A 32 13.609 -11.983 -4.416 1.00 0.00 C ATOM 462 CD1 PHE A 32 13.544 -13.325 -4.755 1.00 0.00 C ATOM 463 CD2 PHE A 32 14.704 -11.243 -4.831 1.00 0.00 C ATOM 464 CE1 PHE A 32 14.553 -13.917 -5.492 1.00 0.00 C ATOM 465 CE2 PHE A 32 15.715 -11.829 -5.568 1.00 0.00 C ATOM 466 CZ PHE A 32 15.639 -13.168 -5.899 1.00 0.00 C ATOM 0 H PHE A 32 10.554 -9.691 -3.941 1.00 0.00 H new ATOM 0 HA PHE A 32 11.197 -12.383 -4.949 1.00 0.00 H new ATOM 0 HB2 PHE A 32 12.629 -10.258 -3.653 1.00 0.00 H new ATOM 0 HB3 PHE A 32 12.615 -11.635 -2.570 1.00 0.00 H new ATOM 0 HD1 PHE A 32 12.696 -13.915 -4.440 1.00 0.00 H new ATOM 0 HD2 PHE A 32 14.768 -10.196 -4.575 1.00 0.00 H new ATOM 0 HE1 PHE A 32 14.492 -14.964 -5.749 1.00 0.00 H new ATOM 0 HE2 PHE A 32 16.564 -11.241 -5.885 1.00 0.00 H new ATOM 0 HZ PHE A 32 16.428 -13.628 -6.475 1.00 0.00 H new ATOM 476 N CYS A 33 9.270 -13.116 -3.377 1.00 0.00 N ATOM 477 CA CYS A 33 8.432 -13.826 -2.420 1.00 0.00 C ATOM 478 C CYS A 33 7.595 -14.894 -3.120 1.00 0.00 C ATOM 479 O CYS A 33 7.337 -14.805 -4.320 1.00 0.00 O ATOM 480 CB CYS A 33 7.530 -12.820 -1.695 1.00 0.00 C ATOM 481 SG CYS A 33 6.148 -13.551 -0.755 1.00 0.00 S ATOM 0 H CYS A 33 8.970 -13.206 -4.348 1.00 0.00 H new ATOM 0 HA CYS A 33 9.068 -14.329 -1.692 1.00 0.00 H new ATOM 0 HB2 CYS A 33 8.144 -12.234 -1.011 1.00 0.00 H new ATOM 0 HB3 CYS A 33 7.122 -12.127 -2.430 1.00 0.00 H new ATOM 486 N SER A 34 7.174 -15.904 -2.362 1.00 0.00 N ATOM 487 CA SER A 34 6.366 -16.990 -2.911 1.00 0.00 C ATOM 488 C SER A 34 5.164 -16.443 -3.677 1.00 0.00 C ATOM 489 O SER A 34 4.959 -16.774 -4.845 1.00 0.00 O ATOM 490 CB SER A 34 5.894 -17.919 -1.791 1.00 0.00 C ATOM 491 OG SER A 34 5.842 -17.237 -0.550 1.00 0.00 O ATOM 0 H SER A 34 7.379 -15.993 -1.367 1.00 0.00 H new ATOM 0 HA SER A 34 6.987 -17.556 -3.605 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.908 -18.314 -2.034 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.569 -18.772 -1.713 1.00 0.00 H new ATOM 0 HG SER A 34 5.536 -17.852 0.149 1.00 0.00 H new ATOM 497 N SER A 35 4.378 -15.603 -3.014 1.00 0.00 N ATOM 498 CA SER A 35 3.201 -15.007 -3.635 1.00 0.00 C ATOM 499 C SER A 35 3.577 -13.736 -4.388 1.00 0.00 C ATOM 500 O SER A 35 4.690 -13.228 -4.252 1.00 0.00 O ATOM 501 CB SER A 35 2.141 -14.695 -2.578 1.00 0.00 C ATOM 502 OG SER A 35 1.296 -15.811 -2.357 1.00 0.00 O ATOM 0 H SER A 35 4.534 -15.319 -2.047 1.00 0.00 H new ATOM 0 HA SER A 35 2.790 -15.724 -4.345 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.627 -14.412 -1.644 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.544 -13.841 -2.898 1.00 0.00 H new ATOM 0 HG SER A 35 0.628 -15.586 -1.676 1.00 0.00 H new ATOM 508 N ARG A 36 2.648 -13.231 -5.193 1.00 0.00 N ATOM 509 CA ARG A 36 2.889 -12.028 -5.970 1.00 0.00 C ATOM 510 C ARG A 36 2.252 -10.804 -5.313 1.00 0.00 C ATOM 511 O ARG A 36 1.364 -10.170 -5.885 1.00 0.00 O ATOM 512 CB ARG A 36 2.344 -12.217 -7.386 1.00 0.00 C ATOM 513 CG ARG A 36 0.825 -12.262 -7.461 1.00 0.00 C ATOM 514 CD ARG A 36 0.277 -11.151 -8.342 1.00 0.00 C ATOM 515 NE ARG A 36 -0.983 -10.617 -7.831 1.00 0.00 N ATOM 516 CZ ARG A 36 -2.143 -11.266 -7.896 1.00 0.00 C ATOM 517 NH1 ARG A 36 -2.206 -12.473 -8.445 1.00 0.00 N ATOM 518 NH2 ARG A 36 -3.243 -10.707 -7.412 1.00 0.00 N ATOM 0 H ARG A 36 1.722 -13.639 -5.322 1.00 0.00 H new ATOM 0 HA ARG A 36 3.964 -11.855 -6.014 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.705 -11.404 -8.015 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.746 -13.142 -7.799 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.508 -13.228 -7.853 1.00 0.00 H new ATOM 0 HG3 ARG A 36 0.407 -12.172 -6.458 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.010 -10.347 -8.410 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.126 -11.531 -9.352 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.973 -9.693 -7.399 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.363 -12.908 -8.820 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.098 -12.966 -8.492 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.200 -9.779 -6.990 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.132 -11.204 -7.462 1.00 0.00 H new ATOM 532 N GLY A 37 2.716 -10.467 -4.114 1.00 0.00 N ATOM 533 CA GLY A 37 2.181 -9.314 -3.417 1.00 0.00 C ATOM 534 C GLY A 37 0.843 -9.586 -2.755 1.00 0.00 C ATOM 535 O GLY A 37 0.012 -10.323 -3.286 1.00 0.00 O ATOM 0 H GLY A 37 3.450 -10.970 -3.615 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.895 -8.991 -2.660 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.070 -8.490 -4.122 1.00 0.00 H new ATOM 539 N LYS A 38 0.643 -8.973 -1.593 1.00 0.00 N ATOM 540 CA LYS A 38 -0.589 -9.115 -0.826 1.00 0.00 C ATOM 541 C LYS A 38 -0.493 -8.303 0.463 1.00 0.00 C ATOM 542 O LYS A 38 -1.043 -8.678 1.498 1.00 0.00 O ATOM 543 CB LYS A 38 -0.884 -10.593 -0.530 1.00 0.00 C ATOM 544 CG LYS A 38 -0.053 -11.191 0.597 1.00 0.00 C ATOM 545 CD LYS A 38 1.433 -11.150 0.283 1.00 0.00 C ATOM 546 CE LYS A 38 2.219 -12.051 1.223 1.00 0.00 C ATOM 547 NZ LYS A 38 1.760 -13.464 1.150 1.00 0.00 N ATOM 0 H LYS A 38 1.333 -8.362 -1.156 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.419 -8.729 -1.418 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.940 -10.696 -0.280 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.713 -11.173 -1.437 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.245 -10.644 1.520 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.360 -12.223 0.768 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.598 -11.463 -0.748 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.797 -10.126 0.367 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.279 -12.000 0.973 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.115 -11.688 2.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.528 -14.095 1.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.936 -13.594 1.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.495 -13.693 0.171 1.00 0.00 H new ATOM 561 N VAL A 39 0.216 -7.179 0.376 1.00 0.00 N ATOM 562 CA VAL A 39 0.408 -6.287 1.510 1.00 0.00 C ATOM 563 C VAL A 39 0.397 -4.837 1.044 1.00 0.00 C ATOM 564 O VAL A 39 1.025 -4.496 0.041 1.00 0.00 O ATOM 565 CB VAL A 39 1.737 -6.578 2.231 1.00 0.00 C ATOM 566 CG1 VAL A 39 1.887 -5.698 3.464 1.00 0.00 C ATOM 567 CG2 VAL A 39 1.831 -8.051 2.598 1.00 0.00 C ATOM 0 H VAL A 39 0.671 -6.865 -0.481 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.412 -6.457 2.208 1.00 0.00 H new ATOM 0 HB VAL A 39 2.556 -6.343 1.551 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.833 -5.921 3.957 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.871 -4.649 3.167 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.064 -5.893 4.152 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.776 -8.240 3.107 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.005 -8.315 3.258 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.779 -8.656 1.693 1.00 0.00 H new ATOM 577 N VAL A 40 -0.325 -3.987 1.763 1.00 0.00 N ATOM 578 CA VAL A 40 -0.417 -2.579 1.398 1.00 0.00 C ATOM 579 C VAL A 40 -0.496 -1.689 2.635 1.00 0.00 C ATOM 580 O VAL A 40 -0.845 -2.147 3.722 1.00 0.00 O ATOM 581 CB VAL A 40 -1.644 -2.309 0.497 1.00 0.00 C ATOM 582 CG1 VAL A 40 -1.261 -1.416 -0.672 1.00 0.00 C ATOM 583 CG2 VAL A 40 -2.249 -3.614 -0.004 1.00 0.00 C ATOM 0 H VAL A 40 -0.852 -4.245 2.597 1.00 0.00 H new ATOM 0 HA VAL A 40 0.490 -2.338 0.844 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.396 -1.794 1.095 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.137 -1.237 -1.295 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.883 -0.466 -0.295 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.488 -1.904 -1.265 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.110 -3.397 -0.635 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.505 -4.162 -0.582 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.565 -4.218 0.846 1.00 0.00 H new ATOM 593 N GLU A 41 -0.167 -0.412 2.458 1.00 0.00 N ATOM 594 CA GLU A 41 -0.200 0.544 3.558 1.00 0.00 C ATOM 595 C GLU A 41 -0.339 1.972 3.041 1.00 0.00 C ATOM 596 O GLU A 41 0.325 2.886 3.530 1.00 0.00 O ATOM 597 CB GLU A 41 1.067 0.422 4.406 1.00 0.00 C ATOM 598 CG GLU A 41 0.802 0.455 5.903 1.00 0.00 C ATOM 599 CD GLU A 41 -0.006 1.666 6.326 1.00 0.00 C ATOM 600 OE1 GLU A 41 -1.247 1.631 6.183 1.00 0.00 O ATOM 601 OE2 GLU A 41 0.601 2.649 6.801 1.00 0.00 O ATOM 0 H GLU A 41 0.125 -0.017 1.564 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.069 0.314 4.175 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.574 -0.510 4.155 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.747 1.234 4.148 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.271 -0.451 6.194 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.752 0.453 6.437 1.00 0.00 H new ATOM 608 N LEU A 42 -1.208 2.162 2.053 1.00 0.00 N ATOM 609 CA LEU A 42 -1.431 3.486 1.481 1.00 0.00 C ATOM 610 C LEU A 42 -1.717 4.504 2.581 1.00 0.00 C ATOM 611 O LEU A 42 -2.220 4.147 3.647 1.00 0.00 O ATOM 612 CB LEU A 42 -2.603 3.449 0.496 1.00 0.00 C ATOM 613 CG LEU A 42 -2.261 2.946 -0.905 1.00 0.00 C ATOM 614 CD1 LEU A 42 -1.370 3.942 -1.628 1.00 0.00 C ATOM 615 CD2 LEU A 42 -1.591 1.583 -0.831 1.00 0.00 C ATOM 0 H LEU A 42 -1.767 1.420 1.633 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.527 3.785 0.950 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.386 2.814 0.911 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.018 4.453 0.413 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.187 2.844 -1.470 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.137 3.566 -2.624 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.887 4.898 -1.713 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.446 4.078 -1.066 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.354 1.239 -1.838 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.673 1.660 -0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.265 0.872 -0.354 1.00 0.00 H new ATOM 627 N GLY A 43 -1.401 5.768 2.322 1.00 0.00 N ATOM 628 CA GLY A 43 -1.645 6.798 3.316 1.00 0.00 C ATOM 629 C GLY A 43 -0.807 8.050 3.118 1.00 0.00 C ATOM 630 O GLY A 43 -1.005 9.040 3.824 1.00 0.00 O ATOM 0 H GLY A 43 -0.984 6.096 1.451 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.700 7.070 3.292 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.443 6.390 4.306 1.00 0.00 H new ATOM 634 N CYS A 44 0.122 8.026 2.165 1.00 0.00 N ATOM 635 CA CYS A 44 0.965 9.188 1.907 1.00 0.00 C ATOM 636 C CYS A 44 1.803 9.552 3.127 1.00 0.00 C ATOM 637 O CYS A 44 1.419 9.282 4.264 1.00 0.00 O ATOM 638 CB CYS A 44 0.100 10.383 1.492 1.00 0.00 C ATOM 639 SG CYS A 44 1.041 11.903 1.138 1.00 0.00 S ATOM 0 H CYS A 44 0.308 7.223 1.565 1.00 0.00 H new ATOM 0 HA CYS A 44 1.646 8.933 1.095 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -0.474 10.111 0.607 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.617 10.590 2.286 1.00 0.00 H new ATOM 644 N ALA A 45 2.949 10.173 2.872 1.00 0.00 N ATOM 645 CA ALA A 45 3.853 10.588 3.937 1.00 0.00 C ATOM 646 C ALA A 45 4.218 12.061 3.792 1.00 0.00 C ATOM 647 O ALA A 45 3.659 12.916 4.479 1.00 0.00 O ATOM 648 CB ALA A 45 5.105 9.724 3.933 1.00 0.00 C ATOM 0 H ALA A 45 3.275 10.401 1.933 1.00 0.00 H new ATOM 0 HA ALA A 45 3.344 10.457 4.892 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.771 10.045 4.734 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.828 8.681 4.088 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.614 9.826 2.975 1.00 0.00 H new ATOM 654 N ALA A 46 5.155 12.354 2.888 1.00 0.00 N ATOM 655 CA ALA A 46 5.590 13.730 2.648 1.00 0.00 C ATOM 656 C ALA A 46 6.857 13.786 1.797 1.00 0.00 C ATOM 657 O ALA A 46 7.119 14.789 1.133 1.00 0.00 O ATOM 658 CB ALA A 46 5.817 14.460 3.966 1.00 0.00 C ATOM 0 H ALA A 46 5.626 11.657 2.311 1.00 0.00 H new ATOM 0 HA ALA A 46 4.793 14.227 2.096 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.140 15.481 3.765 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.888 14.479 4.536 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.585 13.943 4.541 1.00 0.00 H new ATOM 664 N THR A 47 7.651 12.719 1.825 1.00 0.00 N ATOM 665 CA THR A 47 8.891 12.677 1.057 1.00 0.00 C ATOM 666 C THR A 47 9.188 11.266 0.553 1.00 0.00 C ATOM 667 O THR A 47 9.087 10.294 1.304 1.00 0.00 O ATOM 668 CB THR A 47 10.053 13.180 1.919 1.00 0.00 C ATOM 669 OG1 THR A 47 11.226 13.340 1.143 1.00 0.00 O ATOM 670 CG2 THR A 47 10.389 12.259 3.073 1.00 0.00 C ATOM 0 H THR A 47 7.459 11.877 2.368 1.00 0.00 H new ATOM 0 HA THR A 47 8.773 13.325 0.189 1.00 0.00 H new ATOM 0 HB THR A 47 9.715 14.134 2.323 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.954 13.663 1.714 1.00 0.00 H new ATOM 0 HG21 THR A 47 11.220 12.676 3.641 1.00 0.00 H new ATOM 0 HG22 THR A 47 9.520 12.158 3.723 1.00 0.00 H new ATOM 0 HG23 THR A 47 10.669 11.279 2.687 1.00 0.00 H new ATOM 678 N CYS A 48 9.561 11.159 -0.722 1.00 0.00 N ATOM 679 CA CYS A 48 9.881 9.864 -1.316 1.00 0.00 C ATOM 680 C CYS A 48 11.283 9.421 -0.920 1.00 0.00 C ATOM 681 O CYS A 48 11.471 8.279 -0.505 1.00 0.00 O ATOM 682 CB CYS A 48 9.751 9.914 -2.841 1.00 0.00 C ATOM 683 SG CYS A 48 8.053 9.682 -3.456 1.00 0.00 S ATOM 0 H CYS A 48 9.648 11.950 -1.360 1.00 0.00 H new ATOM 0 HA CYS A 48 9.166 9.135 -0.935 1.00 0.00 H new ATOM 0 HB2 CYS A 48 10.125 10.875 -3.195 1.00 0.00 H new ATOM 0 HB3 CYS A 48 10.390 9.144 -3.274 1.00 0.00 H new ATOM 688 N PRO A 49 12.289 10.314 -1.023 1.00 0.00 N ATOM 689 CA PRO A 49 13.666 9.991 -0.640 1.00 0.00 C ATOM 690 C PRO A 49 13.756 9.749 0.861 1.00 0.00 C ATOM 691 O PRO A 49 14.465 10.453 1.582 1.00 0.00 O ATOM 692 CB PRO A 49 14.470 11.238 -1.040 1.00 0.00 C ATOM 693 CG PRO A 49 13.568 12.021 -1.935 1.00 0.00 C ATOM 694 CD PRO A 49 12.169 11.701 -1.495 1.00 0.00 C ATOM 0 HA PRO A 49 14.037 9.086 -1.121 1.00 0.00 H new ATOM 0 HB2 PRO A 49 14.755 11.820 -0.163 1.00 0.00 H new ATOM 0 HB3 PRO A 49 15.391 10.963 -1.554 1.00 0.00 H new ATOM 0 HG2 PRO A 49 13.768 13.089 -1.853 1.00 0.00 H new ATOM 0 HG3 PRO A 49 13.721 11.748 -2.979 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.830 12.370 -0.704 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.456 11.790 -2.315 1.00 0.00 H new ATOM 702 N SER A 50 13.003 8.759 1.320 1.00 0.00 N ATOM 703 CA SER A 50 12.942 8.408 2.725 1.00 0.00 C ATOM 704 C SER A 50 13.941 7.304 3.057 1.00 0.00 C ATOM 705 O SER A 50 14.608 7.346 4.091 1.00 0.00 O ATOM 706 CB SER A 50 11.516 7.962 3.061 1.00 0.00 C ATOM 707 OG SER A 50 11.444 7.394 4.358 1.00 0.00 O ATOM 0 H SER A 50 12.416 8.177 0.723 1.00 0.00 H new ATOM 0 HA SER A 50 13.206 9.279 3.325 1.00 0.00 H new ATOM 0 HB2 SER A 50 10.842 8.816 2.998 1.00 0.00 H new ATOM 0 HB3 SER A 50 11.178 7.234 2.324 1.00 0.00 H new ATOM 0 HG SER A 50 10.522 7.120 4.545 1.00 0.00 H new ATOM 713 N LYS A 51 14.043 6.323 2.169 1.00 0.00 N ATOM 714 CA LYS A 51 14.963 5.210 2.361 1.00 0.00 C ATOM 715 C LYS A 51 15.606 4.806 1.036 1.00 0.00 C ATOM 716 O LYS A 51 16.740 5.190 0.756 1.00 0.00 O ATOM 717 CB LYS A 51 14.233 4.017 2.985 1.00 0.00 C ATOM 718 CG LYS A 51 13.730 4.281 4.395 1.00 0.00 C ATOM 719 CD LYS A 51 14.522 3.498 5.433 1.00 0.00 C ATOM 720 CE LYS A 51 13.605 2.808 6.431 1.00 0.00 C ATOM 721 NZ LYS A 51 12.501 3.699 6.882 1.00 0.00 N ATOM 0 H LYS A 51 13.499 6.276 1.308 1.00 0.00 H new ATOM 0 HA LYS A 51 15.752 5.531 3.041 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.388 3.747 2.351 1.00 0.00 H new ATOM 0 HB3 LYS A 51 14.905 3.159 3.003 1.00 0.00 H new ATOM 0 HG2 LYS A 51 13.800 5.347 4.612 1.00 0.00 H new ATOM 0 HG3 LYS A 51 12.676 4.011 4.462 1.00 0.00 H new ATOM 0 HD2 LYS A 51 15.143 2.754 4.933 1.00 0.00 H new ATOM 0 HD3 LYS A 51 15.196 4.172 5.962 1.00 0.00 H new ATOM 0 HE2 LYS A 51 13.184 1.911 5.977 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.186 2.485 7.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.226 3.447 7.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.822 4.688 6.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.683 3.585 6.250 1.00 0.00 H new ATOM 735 N LYS A 52 14.860 4.033 0.234 1.00 0.00 N ATOM 736 CA LYS A 52 15.303 3.546 -1.085 1.00 0.00 C ATOM 737 C LYS A 52 15.623 2.049 -1.048 1.00 0.00 C ATOM 738 O LYS A 52 15.040 1.275 -1.809 1.00 0.00 O ATOM 739 CB LYS A 52 16.498 4.335 -1.642 1.00 0.00 C ATOM 740 CG LYS A 52 16.227 5.823 -1.793 1.00 0.00 C ATOM 741 CD LYS A 52 17.462 6.650 -1.473 1.00 0.00 C ATOM 742 CE LYS A 52 18.199 7.066 -2.736 1.00 0.00 C ATOM 743 NZ LYS A 52 17.419 8.050 -3.536 1.00 0.00 N ATOM 0 H LYS A 52 13.921 3.723 0.484 1.00 0.00 H new ATOM 0 HA LYS A 52 14.466 3.709 -1.764 1.00 0.00 H new ATOM 0 HB2 LYS A 52 17.354 4.195 -0.982 1.00 0.00 H new ATOM 0 HB3 LYS A 52 16.773 3.924 -2.613 1.00 0.00 H new ATOM 0 HG2 LYS A 52 15.901 6.033 -2.812 1.00 0.00 H new ATOM 0 HG3 LYS A 52 15.411 6.114 -1.131 1.00 0.00 H new ATOM 0 HD2 LYS A 52 17.171 7.538 -0.912 1.00 0.00 H new ATOM 0 HD3 LYS A 52 18.131 6.074 -0.834 1.00 0.00 H new ATOM 0 HE2 LYS A 52 19.163 7.499 -2.468 1.00 0.00 H new ATOM 0 HE3 LYS A 52 18.403 6.185 -3.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 18.063 8.581 -4.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 16.716 7.547 -4.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 16.932 8.710 -2.896 1.00 0.00 H new ATOM 757 N PRO A 53 16.542 1.604 -0.167 1.00 0.00 N ATOM 758 CA PRO A 53 16.899 0.184 -0.064 1.00 0.00 C ATOM 759 C PRO A 53 15.695 -0.683 0.295 1.00 0.00 C ATOM 760 O PRO A 53 14.550 -0.297 0.059 1.00 0.00 O ATOM 761 CB PRO A 53 17.938 0.145 1.064 1.00 0.00 C ATOM 762 CG PRO A 53 18.442 1.541 1.179 1.00 0.00 C ATOM 763 CD PRO A 53 17.294 2.427 0.793 1.00 0.00 C ATOM 0 HA PRO A 53 17.272 -0.209 -1.010 1.00 0.00 H new ATOM 0 HB2 PRO A 53 17.491 -0.191 2.000 1.00 0.00 H new ATOM 0 HB3 PRO A 53 18.747 -0.548 0.831 1.00 0.00 H new ATOM 0 HG2 PRO A 53 18.775 1.753 2.195 1.00 0.00 H new ATOM 0 HG3 PRO A 53 19.297 1.702 0.523 1.00 0.00 H new ATOM 0 HD2 PRO A 53 16.685 2.696 1.656 1.00 0.00 H new ATOM 0 HD3 PRO A 53 17.638 3.358 0.343 1.00 0.00 H new ATOM 771 N TYR A 54 15.959 -1.850 0.871 1.00 0.00 N ATOM 772 CA TYR A 54 14.885 -2.769 1.269 1.00 0.00 C ATOM 773 C TYR A 54 13.999 -2.130 2.334 1.00 0.00 C ATOM 774 O TYR A 54 14.214 -2.327 3.531 1.00 0.00 O ATOM 775 CB TYR A 54 15.484 -4.077 1.801 1.00 0.00 C ATOM 776 CG TYR A 54 16.980 -4.003 1.919 1.00 0.00 C ATOM 777 CD1 TYR A 54 17.574 -3.434 3.032 1.00 0.00 C ATOM 778 CD2 TYR A 54 17.793 -4.440 0.886 1.00 0.00 C ATOM 779 CE1 TYR A 54 18.941 -3.307 3.120 1.00 0.00 C ATOM 780 CE2 TYR A 54 19.163 -4.326 0.965 1.00 0.00 C ATOM 781 CZ TYR A 54 19.736 -3.755 2.085 1.00 0.00 C ATOM 782 OH TYR A 54 21.105 -3.631 2.167 1.00 0.00 O ATOM 0 H TYR A 54 16.900 -2.186 1.074 1.00 0.00 H new ATOM 0 HA TYR A 54 14.273 -2.986 0.394 1.00 0.00 H new ATOM 0 HB2 TYR A 54 15.054 -4.302 2.777 1.00 0.00 H new ATOM 0 HB3 TYR A 54 15.213 -4.897 1.136 1.00 0.00 H new ATOM 0 HD1 TYR A 54 16.954 -3.084 3.844 1.00 0.00 H new ATOM 0 HD2 TYR A 54 17.346 -4.877 0.005 1.00 0.00 H new ATOM 0 HE1 TYR A 54 19.389 -2.859 3.994 1.00 0.00 H new ATOM 0 HE2 TYR A 54 19.785 -4.681 0.157 1.00 0.00 H new ATOM 0 HH TYR A 54 21.516 -3.996 1.356 1.00 0.00 H new ATOM 792 N GLU A 55 13.008 -1.358 1.897 1.00 0.00 N ATOM 793 CA GLU A 55 12.101 -0.690 2.824 1.00 0.00 C ATOM 794 C GLU A 55 10.721 -1.353 2.825 1.00 0.00 C ATOM 795 O GLU A 55 10.480 -2.283 3.595 1.00 0.00 O ATOM 796 CB GLU A 55 11.989 0.799 2.481 1.00 0.00 C ATOM 797 CG GLU A 55 11.349 1.634 3.578 1.00 0.00 C ATOM 798 CD GLU A 55 10.627 2.853 3.038 1.00 0.00 C ATOM 799 OE1 GLU A 55 10.929 3.265 1.898 1.00 0.00 O ATOM 800 OE2 GLU A 55 9.760 3.396 3.755 1.00 0.00 O ATOM 0 H GLU A 55 12.813 -1.180 0.912 1.00 0.00 H new ATOM 0 HA GLU A 55 12.514 -0.785 3.828 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.985 1.190 2.273 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.406 0.909 1.567 1.00 0.00 H new ATOM 0 HG2 GLU A 55 10.644 1.016 4.135 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.118 1.954 4.281 1.00 0.00 H new ATOM 807 N GLU A 56 9.814 -0.871 1.972 1.00 0.00 N ATOM 808 CA GLU A 56 8.467 -1.419 1.896 1.00 0.00 C ATOM 809 C GLU A 56 7.610 -0.597 0.939 1.00 0.00 C ATOM 810 O GLU A 56 6.952 -1.140 0.051 1.00 0.00 O ATOM 811 CB GLU A 56 7.820 -1.429 3.284 1.00 0.00 C ATOM 812 CG GLU A 56 7.064 -2.710 3.598 1.00 0.00 C ATOM 813 CD GLU A 56 7.739 -3.537 4.675 1.00 0.00 C ATOM 814 OE1 GLU A 56 8.259 -2.943 5.642 1.00 0.00 O ATOM 815 OE2 GLU A 56 7.749 -4.780 4.549 1.00 0.00 O ATOM 0 H GLU A 56 9.993 -0.102 1.326 1.00 0.00 H new ATOM 0 HA GLU A 56 8.534 -2.441 1.524 1.00 0.00 H new ATOM 0 HB2 GLU A 56 8.594 -1.281 4.037 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.135 -0.585 3.361 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.052 -2.461 3.917 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.974 -3.306 2.690 1.00 0.00 H new ATOM 822 N VAL A 57 7.621 0.718 1.135 1.00 0.00 N ATOM 823 CA VAL A 57 6.843 1.626 0.301 1.00 0.00 C ATOM 824 C VAL A 57 7.662 2.147 -0.875 1.00 0.00 C ATOM 825 O VAL A 57 8.842 1.825 -1.019 1.00 0.00 O ATOM 826 CB VAL A 57 6.315 2.823 1.118 1.00 0.00 C ATOM 827 CG1 VAL A 57 5.441 2.345 2.267 1.00 0.00 C ATOM 828 CG2 VAL A 57 7.468 3.672 1.638 1.00 0.00 C ATOM 0 H VAL A 57 8.162 1.179 1.867 1.00 0.00 H new ATOM 0 HA VAL A 57 5.999 1.053 -0.082 1.00 0.00 H new ATOM 0 HB VAL A 57 5.706 3.442 0.459 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.079 3.205 2.831 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.592 1.787 1.871 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.024 1.700 2.924 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.073 4.511 2.211 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.108 3.064 2.278 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.050 4.050 0.797 1.00 0.00 H new ATOM 838 N THR A 58 7.022 2.955 -1.712 1.00 0.00 N ATOM 839 CA THR A 58 7.677 3.531 -2.878 1.00 0.00 C ATOM 840 C THR A 58 6.822 4.646 -3.473 1.00 0.00 C ATOM 841 O THR A 58 6.804 4.850 -4.687 1.00 0.00 O ATOM 842 CB THR A 58 7.938 2.449 -3.929 1.00 0.00 C ATOM 843 OG1 THR A 58 7.041 1.365 -3.766 1.00 0.00 O ATOM 844 CG2 THR A 58 9.345 1.892 -3.876 1.00 0.00 C ATOM 0 H THR A 58 6.045 3.227 -1.603 1.00 0.00 H new ATOM 0 HA THR A 58 8.632 3.954 -2.564 1.00 0.00 H new ATOM 0 HB THR A 58 7.794 2.940 -4.892 1.00 0.00 H new ATOM 0 HG1 THR A 58 7.223 0.685 -4.448 1.00 0.00 H new ATOM 0 HG21 THR A 58 9.464 1.130 -4.646 1.00 0.00 H new ATOM 0 HG22 THR A 58 10.061 2.696 -4.047 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.524 1.449 -2.896 1.00 0.00 H new ATOM 852 N CYS A 59 6.114 5.363 -2.605 1.00 0.00 N ATOM 853 CA CYS A 59 5.251 6.459 -3.034 1.00 0.00 C ATOM 854 C CYS A 59 4.048 5.924 -3.806 1.00 0.00 C ATOM 855 O CYS A 59 4.011 4.750 -4.173 1.00 0.00 O ATOM 856 CB CYS A 59 6.035 7.458 -3.895 1.00 0.00 C ATOM 857 SG CYS A 59 7.778 7.672 -3.398 1.00 0.00 S ATOM 0 H CYS A 59 6.121 5.204 -1.598 1.00 0.00 H new ATOM 0 HA CYS A 59 4.890 6.977 -2.145 1.00 0.00 H new ATOM 0 HB2 CYS A 59 6.003 7.128 -4.933 1.00 0.00 H new ATOM 0 HB3 CYS A 59 5.536 8.426 -3.853 1.00 0.00 H new ATOM 862 N CYS A 60 3.063 6.784 -4.040 1.00 0.00 N ATOM 863 CA CYS A 60 1.858 6.380 -4.757 1.00 0.00 C ATOM 864 C CYS A 60 1.087 7.591 -5.284 1.00 0.00 C ATOM 865 O CYS A 60 -0.142 7.595 -5.300 1.00 0.00 O ATOM 866 CB CYS A 60 0.959 5.545 -3.841 1.00 0.00 C ATOM 867 SG CYS A 60 0.353 4.003 -4.603 1.00 0.00 S ATOM 0 H CYS A 60 3.074 7.761 -3.746 1.00 0.00 H new ATOM 0 HA CYS A 60 2.163 5.778 -5.613 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.511 5.298 -2.934 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.104 6.150 -3.539 1.00 0.00 H new ATOM 872 N SER A 61 1.811 8.619 -5.710 1.00 0.00 N ATOM 873 CA SER A 61 1.180 9.828 -6.232 1.00 0.00 C ATOM 874 C SER A 61 0.620 9.598 -7.636 1.00 0.00 C ATOM 875 O SER A 61 0.446 8.457 -8.063 1.00 0.00 O ATOM 876 CB SER A 61 2.183 10.982 -6.247 1.00 0.00 C ATOM 877 OG SER A 61 1.629 12.141 -5.648 1.00 0.00 O ATOM 0 H SER A 61 2.831 8.641 -5.705 1.00 0.00 H new ATOM 0 HA SER A 61 0.349 10.085 -5.575 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.088 10.690 -5.714 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.475 11.202 -7.274 1.00 0.00 H new ATOM 0 HG SER A 61 0.748 12.322 -6.038 1.00 0.00 H new ATOM 883 N THR A 62 0.342 10.693 -8.346 1.00 0.00 N ATOM 884 CA THR A 62 -0.199 10.631 -9.706 1.00 0.00 C ATOM 885 C THR A 62 -1.692 10.310 -9.693 1.00 0.00 C ATOM 886 O THR A 62 -2.222 9.738 -10.645 1.00 0.00 O ATOM 887 CB THR A 62 0.556 9.605 -10.562 1.00 0.00 C ATOM 888 OG1 THR A 62 -0.002 8.311 -10.418 1.00 0.00 O ATOM 889 CG2 THR A 62 2.032 9.511 -10.234 1.00 0.00 C ATOM 0 H THR A 62 0.484 11.641 -7.998 1.00 0.00 H new ATOM 0 HA THR A 62 -0.062 11.616 -10.152 1.00 0.00 H new ATOM 0 HB THR A 62 0.453 9.964 -11.586 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.130 8.114 -9.467 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.501 8.767 -10.878 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.503 10.480 -10.397 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.155 9.218 -9.191 1.00 0.00 H new ATOM 897 N ASP A 63 -2.365 10.696 -8.613 1.00 0.00 N ATOM 898 CA ASP A 63 -3.800 10.466 -8.477 1.00 0.00 C ATOM 899 C ASP A 63 -4.136 8.978 -8.517 1.00 0.00 C ATOM 900 O ASP A 63 -3.447 8.193 -9.168 1.00 0.00 O ATOM 901 CB ASP A 63 -4.562 11.197 -9.583 1.00 0.00 C ATOM 902 CG ASP A 63 -6.059 11.212 -9.343 1.00 0.00 C ATOM 903 OD1 ASP A 63 -6.547 12.157 -8.689 1.00 0.00 O ATOM 904 OD2 ASP A 63 -6.744 10.277 -9.808 1.00 0.00 O ATOM 0 H ASP A 63 -1.938 11.171 -7.817 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.105 10.857 -7.506 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.198 12.222 -9.654 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.355 10.718 -10.540 1.00 0.00 H new ATOM 909 N LYS A 64 -5.209 8.609 -7.813 1.00 0.00 N ATOM 910 CA LYS A 64 -5.683 7.221 -7.746 1.00 0.00 C ATOM 911 C LYS A 64 -4.549 6.207 -7.899 1.00 0.00 C ATOM 912 O LYS A 64 -4.257 5.747 -9.003 1.00 0.00 O ATOM 913 CB LYS A 64 -6.752 6.974 -8.814 1.00 0.00 C ATOM 914 CG LYS A 64 -6.245 7.132 -10.239 1.00 0.00 C ATOM 915 CD LYS A 64 -6.167 5.794 -10.957 1.00 0.00 C ATOM 916 CE LYS A 64 -7.453 5.488 -11.711 1.00 0.00 C ATOM 917 NZ LYS A 64 -7.289 5.656 -13.182 1.00 0.00 N ATOM 0 H LYS A 64 -5.775 9.263 -7.273 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.114 7.079 -6.755 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.150 5.967 -8.690 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.579 7.666 -8.654 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.906 7.802 -10.789 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -5.259 7.596 -10.226 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.329 5.803 -11.654 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.972 5.003 -10.233 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.766 4.466 -11.495 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -8.247 6.146 -11.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.187 5.438 -13.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.015 6.637 -13.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.550 5.010 -13.525 1.00 0.00 H new ATOM 931 N CYS A 65 -3.917 5.860 -6.784 1.00 0.00 N ATOM 932 CA CYS A 65 -2.819 4.897 -6.792 1.00 0.00 C ATOM 933 C CYS A 65 -3.103 3.723 -5.854 1.00 0.00 C ATOM 934 O CYS A 65 -2.387 2.721 -5.867 1.00 0.00 O ATOM 935 CB CYS A 65 -1.515 5.584 -6.389 1.00 0.00 C ATOM 936 SG CYS A 65 -0.040 4.525 -6.524 1.00 0.00 S ATOM 0 H CYS A 65 -4.145 6.231 -5.862 1.00 0.00 H new ATOM 0 HA CYS A 65 -2.722 4.505 -7.805 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -1.374 6.466 -7.014 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.604 5.934 -5.360 1.00 0.00 H new ATOM 941 N ASN A 66 -4.148 3.851 -5.039 1.00 0.00 N ATOM 942 CA ASN A 66 -4.523 2.804 -4.096 1.00 0.00 C ATOM 943 C ASN A 66 -4.925 1.515 -4.818 1.00 0.00 C ATOM 944 O ASN A 66 -4.346 0.457 -4.571 1.00 0.00 O ATOM 945 CB ASN A 66 -5.669 3.284 -3.202 1.00 0.00 C ATOM 946 CG ASN A 66 -5.214 4.292 -2.161 1.00 0.00 C ATOM 947 OD1 ASN A 66 -5.015 3.949 -0.996 1.00 0.00 O ATOM 948 ND2 ASN A 66 -5.053 5.544 -2.576 1.00 0.00 N ATOM 0 H ASN A 66 -4.751 4.673 -5.014 1.00 0.00 H new ATOM 0 HA ASN A 66 -3.652 2.585 -3.479 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -6.445 3.733 -3.822 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -6.117 2.426 -2.700 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -4.753 6.264 -1.919 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.229 5.785 -3.551 1.00 0.00 H new ATOM 955 N PRO A 67 -5.928 1.577 -5.718 1.00 0.00 N ATOM 956 CA PRO A 67 -6.404 0.409 -6.464 1.00 0.00 C ATOM 957 C PRO A 67 -5.268 -0.471 -6.980 1.00 0.00 C ATOM 958 O PRO A 67 -4.107 -0.061 -6.996 1.00 0.00 O ATOM 959 CB PRO A 67 -7.192 1.016 -7.640 1.00 0.00 C ATOM 960 CG PRO A 67 -7.044 2.501 -7.516 1.00 0.00 C ATOM 961 CD PRO A 67 -6.689 2.775 -6.084 1.00 0.00 C ATOM 0 HA PRO A 67 -7.000 -0.248 -5.831 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.801 0.664 -8.594 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.241 0.724 -7.598 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.268 2.871 -8.186 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.969 3.007 -7.790 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.095 3.683 -5.979 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.575 2.900 -5.462 1.00 0.00 H new ATOM 969 N HIS A 68 -5.616 -1.687 -7.396 1.00 0.00 N ATOM 970 CA HIS A 68 -4.635 -2.636 -7.910 1.00 0.00 C ATOM 971 C HIS A 68 -3.542 -2.909 -6.878 1.00 0.00 C ATOM 972 O HIS A 68 -2.352 -2.796 -7.178 1.00 0.00 O ATOM 973 CB HIS A 68 -4.008 -2.106 -9.202 1.00 0.00 C ATOM 974 CG HIS A 68 -5.005 -1.531 -10.160 1.00 0.00 C ATOM 975 ND1 HIS A 68 -6.359 -1.775 -10.072 1.00 0.00 N ATOM 976 CD2 HIS A 68 -4.839 -0.716 -11.230 1.00 0.00 C ATOM 977 CE1 HIS A 68 -6.983 -1.137 -11.046 1.00 0.00 C ATOM 978 NE2 HIS A 68 -6.084 -0.487 -11.762 1.00 0.00 N ATOM 0 H HIS A 68 -6.574 -2.038 -7.386 1.00 0.00 H new ATOM 0 HA HIS A 68 -5.152 -3.572 -8.120 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -3.273 -1.341 -8.952 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -3.470 -2.916 -9.694 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.903 -0.321 -11.596 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -8.048 -1.146 -11.226 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -6.282 0.092 -12.578 1.00 0.00 H new ATOM 987 N PRO A 69 -3.925 -3.267 -5.638 1.00 0.00 N ATOM 988 CA PRO A 69 -2.969 -3.545 -4.573 1.00 0.00 C ATOM 989 C PRO A 69 -2.483 -4.992 -4.567 1.00 0.00 C ATOM 990 O PRO A 69 -1.285 -5.253 -4.459 1.00 0.00 O ATOM 991 CB PRO A 69 -3.782 -3.251 -3.317 1.00 0.00 C ATOM 992 CG PRO A 69 -5.183 -3.624 -3.676 1.00 0.00 C ATOM 993 CD PRO A 69 -5.319 -3.423 -5.170 1.00 0.00 C ATOM 0 HA PRO A 69 -2.058 -2.955 -4.675 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -3.423 -3.832 -2.468 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -3.712 -2.200 -3.037 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -5.389 -4.659 -3.405 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -5.899 -3.004 -3.136 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -5.806 -4.275 -5.645 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -5.919 -2.543 -5.401 1.00 0.00 H new ATOM 1001 N LYS A 70 -3.421 -5.931 -4.665 1.00 0.00 N ATOM 1002 CA LYS A 70 -3.086 -7.351 -4.650 1.00 0.00 C ATOM 1003 C LYS A 70 -4.347 -8.205 -4.802 1.00 0.00 C ATOM 1004 O LYS A 70 -5.399 -7.700 -5.192 1.00 0.00 O ATOM 1005 CB LYS A 70 -2.357 -7.710 -3.344 1.00 0.00 C ATOM 1006 CG LYS A 70 -2.669 -6.784 -2.172 1.00 0.00 C ATOM 1007 CD LYS A 70 -4.167 -6.600 -1.974 1.00 0.00 C ATOM 1008 CE LYS A 70 -4.756 -7.705 -1.109 1.00 0.00 C ATOM 1009 NZ LYS A 70 -6.241 -7.756 -1.207 1.00 0.00 N ATOM 0 H LYS A 70 -4.418 -5.734 -4.756 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.426 -7.558 -5.492 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.619 -8.730 -3.065 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.282 -7.696 -3.526 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.230 -7.191 -1.261 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.204 -5.813 -2.343 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.357 -5.633 -1.509 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.665 -6.591 -2.944 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.339 -8.665 -1.413 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.466 -7.546 -0.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.553 -8.748 -1.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.660 -7.282 -0.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.548 -7.274 -2.076 1.00 0.00 H new ATOM 1023 N GLN A 71 -4.238 -9.494 -4.482 1.00 0.00 N ATOM 1024 CA GLN A 71 -5.367 -10.411 -4.571 1.00 0.00 C ATOM 1025 C GLN A 71 -5.961 -10.442 -5.981 1.00 0.00 C ATOM 1026 O GLN A 71 -5.654 -11.337 -6.768 1.00 0.00 O ATOM 1027 CB GLN A 71 -6.427 -10.013 -3.547 1.00 0.00 C ATOM 1028 CG GLN A 71 -7.710 -10.828 -3.634 1.00 0.00 C ATOM 1029 CD GLN A 71 -7.929 -11.707 -2.417 1.00 0.00 C ATOM 1030 OE1 GLN A 71 -7.968 -12.933 -2.523 1.00 0.00 O ATOM 1031 NE2 GLN A 71 -8.076 -11.082 -1.255 1.00 0.00 N ATOM 0 H GLN A 71 -3.373 -9.926 -4.157 1.00 0.00 H new ATOM 0 HA GLN A 71 -5.011 -11.418 -4.352 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.008 -10.119 -2.546 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -6.669 -8.959 -3.681 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.558 -10.152 -3.746 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -7.679 -11.452 -4.527 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.036 -10.064 -1.215 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.229 -11.620 -0.402 1.00 0.00 H new ATOM 1040 N ARG A 72 -6.815 -9.471 -6.294 1.00 0.00 N ATOM 1041 CA ARG A 72 -7.450 -9.408 -7.608 1.00 0.00 C ATOM 1042 C ARG A 72 -6.407 -9.350 -8.723 1.00 0.00 C ATOM 1043 O ARG A 72 -5.339 -8.761 -8.553 1.00 0.00 O ATOM 1044 CB ARG A 72 -8.378 -8.193 -7.696 1.00 0.00 C ATOM 1045 CG ARG A 72 -7.646 -6.859 -7.733 1.00 0.00 C ATOM 1046 CD ARG A 72 -8.558 -5.717 -7.318 1.00 0.00 C ATOM 1047 NE ARG A 72 -9.083 -5.909 -5.969 1.00 0.00 N ATOM 1048 CZ ARG A 72 -10.259 -5.445 -5.553 1.00 0.00 C ATOM 1049 NH1 ARG A 72 -11.029 -4.730 -6.364 1.00 0.00 N ATOM 1050 NH2 ARG A 72 -10.662 -5.693 -4.315 1.00 0.00 N ATOM 0 H ARG A 72 -7.083 -8.719 -5.659 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.039 -10.316 -7.737 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.994 -8.283 -8.591 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -9.054 -8.202 -6.841 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.782 -6.897 -7.069 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.267 -6.677 -8.739 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.008 -4.777 -7.364 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.386 -5.637 -8.023 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.513 -6.431 -5.304 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.721 -4.532 -7.316 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.929 -4.379 -6.035 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -10.072 -6.237 -3.686 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -11.562 -5.340 -3.991 1.00 0.00 H new ATOM 1064 N PRO A 73 -6.706 -9.960 -9.885 1.00 0.00 N ATOM 1065 CA PRO A 73 -5.789 -9.972 -11.031 1.00 0.00 C ATOM 1066 C PRO A 73 -5.444 -8.564 -11.505 1.00 0.00 C ATOM 1067 O PRO A 73 -6.051 -8.048 -12.445 1.00 0.00 O ATOM 1068 CB PRO A 73 -6.568 -10.724 -12.116 1.00 0.00 C ATOM 1069 CG PRO A 73 -7.601 -11.506 -11.379 1.00 0.00 C ATOM 1070 CD PRO A 73 -7.957 -10.683 -10.174 1.00 0.00 C ATOM 0 HA PRO A 73 -4.835 -10.436 -10.781 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.027 -10.033 -12.823 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.913 -11.379 -12.690 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.476 -11.683 -12.004 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.216 -12.483 -11.085 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.780 -9.999 -10.381 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -8.265 -11.307 -9.335 1.00 0.00 H new ATOM 1078 N GLY A 74 -4.468 -7.946 -10.850 1.00 0.00 N ATOM 1079 CA GLY A 74 -4.063 -6.602 -11.220 1.00 0.00 C ATOM 1080 C GLY A 74 -5.202 -5.607 -11.117 1.00 0.00 C ATOM 1081 O GLY A 74 -5.002 -4.435 -11.498 1.00 0.00 O ATOM 1082 OXT GLY A 74 -6.294 -5.999 -10.657 1.00 0.00 O ATOM 0 H GLY A 74 -3.950 -8.351 -10.070 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -3.245 -6.282 -10.575 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -3.681 -6.609 -12.241 1.00 0.00 H new TER 1086 GLY A 74 ATOM 1087 N TYR B 181 -0.262 -19.497 23.255 1.00 0.00 N ATOM 1088 CA TYR B 181 -1.693 -19.898 23.242 1.00 0.00 C ATOM 1089 C TYR B 181 -2.566 -18.803 22.634 1.00 0.00 C ATOM 1090 O TYR B 181 -3.053 -18.937 21.511 1.00 0.00 O ATOM 1091 CB TYR B 181 -2.130 -20.188 24.681 1.00 0.00 C ATOM 1092 CG TYR B 181 -3.593 -20.547 24.813 1.00 0.00 C ATOM 1093 CD1 TYR B 181 -4.065 -21.785 24.396 1.00 0.00 C ATOM 1094 CD2 TYR B 181 -4.502 -19.647 25.356 1.00 0.00 C ATOM 1095 CE1 TYR B 181 -5.402 -22.117 24.515 1.00 0.00 C ATOM 1096 CE2 TYR B 181 -5.841 -19.972 25.480 1.00 0.00 C ATOM 1097 CZ TYR B 181 -6.284 -21.207 25.058 1.00 0.00 C ATOM 1098 OH TYR B 181 -7.616 -21.533 25.179 1.00 0.00 O ATOM 0 HA TYR B 181 -1.811 -20.790 22.627 1.00 0.00 H new ATOM 0 HB2 TYR B 181 -1.528 -21.006 25.076 1.00 0.00 H new ATOM 0 HB3 TYR B 181 -1.923 -19.313 25.297 1.00 0.00 H new ATOM 0 HD1 TYR B 181 -3.376 -22.500 23.972 1.00 0.00 H new ATOM 0 HD2 TYR B 181 -4.158 -18.678 25.687 1.00 0.00 H new ATOM 0 HE1 TYR B 181 -5.753 -23.083 24.185 1.00 0.00 H new ATOM 0 HE2 TYR B 181 -6.535 -19.262 25.905 1.00 0.00 H new ATOM 0 HH TYR B 181 -8.101 -20.783 25.582 1.00 0.00 H new ATOM 1110 N ARG B 182 -2.759 -17.722 23.383 1.00 0.00 N ATOM 1111 CA ARG B 182 -3.573 -16.605 22.915 1.00 0.00 C ATOM 1112 C ARG B 182 -2.833 -15.798 21.853 1.00 0.00 C ATOM 1113 O ARG B 182 -2.411 -14.668 22.098 1.00 0.00 O ATOM 1114 CB ARG B 182 -3.956 -15.700 24.088 1.00 0.00 C ATOM 1115 CG ARG B 182 -5.331 -15.068 23.947 1.00 0.00 C ATOM 1116 CD ARG B 182 -6.415 -16.124 23.799 1.00 0.00 C ATOM 1117 NE ARG B 182 -6.763 -16.356 22.399 1.00 0.00 N ATOM 1118 CZ ARG B 182 -7.849 -17.019 22.005 1.00 0.00 C ATOM 1119 NH1 ARG B 182 -8.694 -17.515 22.901 1.00 0.00 N ATOM 1120 NH2 ARG B 182 -8.091 -17.185 20.712 1.00 0.00 N ATOM 0 H ARG B 182 -2.364 -17.596 24.315 1.00 0.00 H new ATOM 0 HA ARG B 182 -4.480 -17.011 22.468 1.00 0.00 H new ATOM 0 HB2 ARG B 182 -3.926 -16.282 25.009 1.00 0.00 H new ATOM 0 HB3 ARG B 182 -3.211 -14.910 24.185 1.00 0.00 H new ATOM 0 HG2 ARG B 182 -5.540 -14.450 24.820 1.00 0.00 H new ATOM 0 HG3 ARG B 182 -5.343 -14.408 23.079 1.00 0.00 H new ATOM 0 HD2 ARG B 182 -6.076 -17.057 24.248 1.00 0.00 H new ATOM 0 HD3 ARG B 182 -7.304 -15.811 24.347 1.00 0.00 H new ATOM 0 HE ARG B 182 -6.138 -15.989 21.682 1.00 0.00 H new ATOM 0 HH11 ARG B 182 -8.513 -17.389 23.897 1.00 0.00 H new ATOM 0 HH12 ARG B 182 -9.524 -18.022 22.593 1.00 0.00 H new ATOM 0 HH21 ARG B 182 -7.446 -16.805 20.019 1.00 0.00 H new ATOM 0 HH22 ARG B 182 -8.922 -17.693 20.410 1.00 0.00 H new ATOM 1134 N GLY B 183 -2.678 -16.388 20.672 1.00 0.00 N ATOM 1135 CA GLY B 183 -1.989 -15.711 19.590 1.00 0.00 C ATOM 1136 C GLY B 183 -2.706 -15.864 18.264 1.00 0.00 C ATOM 1137 O GLY B 183 -3.742 -16.523 18.184 1.00 0.00 O ATOM 0 H GLY B 183 -3.017 -17.323 20.446 1.00 0.00 H new ATOM 0 HA2 GLY B 183 -1.895 -14.652 19.829 1.00 0.00 H new ATOM 0 HA3 GLY B 183 -0.978 -16.109 19.501 1.00 0.00 H new ATOM 1141 N TRP B 184 -2.154 -15.254 17.220 1.00 0.00 N ATOM 1142 CA TRP B 184 -2.749 -15.325 15.891 1.00 0.00 C ATOM 1143 C TRP B 184 -4.164 -14.754 15.898 1.00 0.00 C ATOM 1144 O TRP B 184 -5.113 -15.426 16.304 1.00 0.00 O ATOM 1145 CB TRP B 184 -2.775 -16.772 15.390 1.00 0.00 C ATOM 1146 CG TRP B 184 -1.535 -17.545 15.728 1.00 0.00 C ATOM 1147 CD1 TRP B 184 -1.469 -18.843 16.147 1.00 0.00 C ATOM 1148 CD2 TRP B 184 -0.184 -17.070 15.678 1.00 0.00 C ATOM 1149 NE1 TRP B 184 -0.159 -19.203 16.360 1.00 0.00 N ATOM 1150 CE2 TRP B 184 0.647 -18.133 16.078 1.00 0.00 C ATOM 1151 CE3 TRP B 184 0.402 -15.849 15.331 1.00 0.00 C ATOM 1152 CZ2 TRP B 184 2.032 -18.010 16.143 1.00 0.00 C ATOM 1153 CZ3 TRP B 184 1.778 -15.729 15.395 1.00 0.00 C ATOM 1154 CH2 TRP B 184 2.580 -16.804 15.798 1.00 0.00 C ATOM 0 H TRP B 184 -1.296 -14.705 17.269 1.00 0.00 H new ATOM 0 HA TRP B 184 -2.135 -14.728 15.217 1.00 0.00 H new ATOM 0 HB2 TRP B 184 -3.639 -17.281 15.818 1.00 0.00 H new ATOM 0 HB3 TRP B 184 -2.909 -16.771 14.308 1.00 0.00 H new ATOM 0 HD1 TRP B 184 -2.321 -19.492 16.290 1.00 0.00 H new ATOM 0 HE1 TRP B 184 0.160 -20.119 16.677 1.00 0.00 H new ATOM 0 HE3 TRP B 184 -0.209 -15.015 15.019 1.00 0.00 H new ATOM 0 HZ2 TRP B 184 2.653 -18.837 16.455 1.00 0.00 H new ATOM 0 HZ3 TRP B 184 2.242 -14.791 15.130 1.00 0.00 H new ATOM 0 HH2 TRP B 184 3.652 -16.679 15.837 1.00 0.00 H new ATOM 1165 N LYS B 185 -4.296 -13.512 15.447 1.00 0.00 N ATOM 1166 CA LYS B 185 -5.594 -12.849 15.403 1.00 0.00 C ATOM 1167 C LYS B 185 -5.735 -12.015 14.133 1.00 0.00 C ATOM 1168 O LYS B 185 -6.759 -12.075 13.450 1.00 0.00 O ATOM 1169 CB LYS B 185 -5.781 -11.961 16.634 1.00 0.00 C ATOM 1170 CG LYS B 185 -4.574 -11.089 16.946 1.00 0.00 C ATOM 1171 CD LYS B 185 -4.222 -11.131 18.423 1.00 0.00 C ATOM 1172 CE LYS B 185 -5.318 -10.511 19.275 1.00 0.00 C ATOM 1173 NZ LYS B 185 -4.762 -9.738 20.419 1.00 0.00 N ATOM 0 H LYS B 185 -3.520 -12.944 15.107 1.00 0.00 H new ATOM 0 HA LYS B 185 -6.366 -13.618 15.400 1.00 0.00 H new ATOM 0 HB2 LYS B 185 -6.651 -11.322 16.482 1.00 0.00 H new ATOM 0 HB3 LYS B 185 -5.996 -12.591 17.497 1.00 0.00 H new ATOM 0 HG2 LYS B 185 -3.720 -11.425 16.358 1.00 0.00 H new ATOM 0 HG3 LYS B 185 -4.781 -10.061 16.650 1.00 0.00 H new ATOM 0 HD2 LYS B 185 -4.061 -12.164 18.731 1.00 0.00 H new ATOM 0 HD3 LYS B 185 -3.285 -10.599 18.590 1.00 0.00 H new ATOM 0 HE2 LYS B 185 -5.931 -9.855 18.657 1.00 0.00 H new ATOM 0 HE3 LYS B 185 -5.973 -11.297 19.652 1.00 0.00 H new ATOM 0 HZ1 LYS B 185 -5.541 -9.332 20.975 1.00 0.00 H new ATOM 0 HZ2 LYS B 185 -4.198 -10.369 21.023 1.00 0.00 H new ATOM 0 HZ3 LYS B 185 -4.157 -8.972 20.059 1.00 0.00 H new ATOM 1187 N HIS B 186 -4.702 -11.241 13.821 1.00 0.00 N ATOM 1188 CA HIS B 186 -4.710 -10.396 12.633 1.00 0.00 C ATOM 1189 C HIS B 186 -3.613 -10.813 11.660 1.00 0.00 C ATOM 1190 O HIS B 186 -2.436 -10.526 11.877 1.00 0.00 O ATOM 1191 CB HIS B 186 -4.530 -8.927 13.022 1.00 0.00 C ATOM 1192 CG HIS B 186 -5.822 -8.192 13.200 1.00 0.00 C ATOM 1193 ND1 HIS B 186 -6.938 -8.432 12.427 1.00 0.00 N ATOM 1194 CD2 HIS B 186 -6.172 -7.215 14.070 1.00 0.00 C ATOM 1195 CE1 HIS B 186 -7.918 -7.635 12.812 1.00 0.00 C ATOM 1196 NE2 HIS B 186 -7.479 -6.887 13.808 1.00 0.00 N ATOM 0 H HIS B 186 -3.848 -11.181 14.375 1.00 0.00 H new ATOM 0 HA HIS B 186 -5.674 -10.518 12.140 1.00 0.00 H new ATOM 0 HB2 HIS B 186 -3.960 -8.873 13.949 1.00 0.00 H new ATOM 0 HB3 HIS B 186 -3.939 -8.426 12.255 1.00 0.00 H new ATOM 0 HD2 HIS B 186 -5.541 -6.776 14.828 1.00 0.00 H new ATOM 0 HE1 HIS B 186 -8.909 -7.601 12.385 1.00 0.00 H new ATOM 0 HE2 HIS B 186 -8.023 -6.180 14.303 1.00 0.00 H new ATOM 1205 N TRP B 187 -4.008 -11.491 10.587 1.00 0.00 N ATOM 1206 CA TRP B 187 -3.058 -11.945 9.577 1.00 0.00 C ATOM 1207 C TRP B 187 -2.359 -10.750 8.921 1.00 0.00 C ATOM 1208 O TRP B 187 -2.177 -9.710 9.555 1.00 0.00 O ATOM 1209 CB TRP B 187 -3.783 -12.800 8.530 1.00 0.00 C ATOM 1210 CG TRP B 187 -4.750 -12.028 7.684 1.00 0.00 C ATOM 1211 CD1 TRP B 187 -5.149 -10.734 7.863 1.00 0.00 C ATOM 1212 CD2 TRP B 187 -5.444 -12.505 6.525 1.00 0.00 C ATOM 1213 NE1 TRP B 187 -6.047 -10.377 6.886 1.00 0.00 N ATOM 1214 CE2 TRP B 187 -6.244 -11.447 6.052 1.00 0.00 C ATOM 1215 CE3 TRP B 187 -5.466 -13.724 5.840 1.00 0.00 C ATOM 1216 CZ2 TRP B 187 -7.056 -11.573 4.929 1.00 0.00 C ATOM 1217 CZ3 TRP B 187 -6.272 -13.846 4.725 1.00 0.00 C ATOM 1218 CH2 TRP B 187 -7.057 -12.776 4.279 1.00 0.00 C ATOM 0 H TRP B 187 -4.979 -11.738 10.394 1.00 0.00 H new ATOM 0 HA TRP B 187 -2.293 -12.556 10.056 1.00 0.00 H new ATOM 0 HB2 TRP B 187 -3.043 -13.270 7.883 1.00 0.00 H new ATOM 0 HB3 TRP B 187 -4.318 -13.603 9.037 1.00 0.00 H new ATOM 0 HD1 TRP B 187 -4.808 -10.086 8.657 1.00 0.00 H new ATOM 0 HE1 TRP B 187 -6.494 -9.465 6.796 1.00 0.00 H new ATOM 0 HE3 TRP B 187 -4.864 -14.555 6.177 1.00 0.00 H new ATOM 0 HZ2 TRP B 187 -7.664 -10.750 4.583 1.00 0.00 H new ATOM 0 HZ3 TRP B 187 -6.297 -14.783 4.188 1.00 0.00 H new ATOM 0 HH2 TRP B 187 -7.676 -12.903 3.403 1.00 0.00 H new ATOM 1229 N VAL B 188 -1.964 -10.896 7.657 1.00 0.00 N ATOM 1230 CA VAL B 188 -1.288 -9.822 6.944 1.00 0.00 C ATOM 1231 C VAL B 188 -2.288 -8.784 6.447 1.00 0.00 C ATOM 1232 O VAL B 188 -3.500 -8.978 6.545 1.00 0.00 O ATOM 1233 CB VAL B 188 -0.476 -10.358 5.744 1.00 0.00 C ATOM 1234 CG1 VAL B 188 0.825 -9.589 5.606 1.00 0.00 C ATOM 1235 CG2 VAL B 188 -0.207 -11.853 5.883 1.00 0.00 C ATOM 0 H VAL B 188 -2.101 -11.746 7.110 1.00 0.00 H new ATOM 0 HA VAL B 188 -0.602 -9.356 7.651 1.00 0.00 H new ATOM 0 HB VAL B 188 -1.067 -10.211 4.840 1.00 0.00 H new ATOM 0 HG11 VAL B 188 1.388 -9.976 4.757 1.00 0.00 H new ATOM 0 HG12 VAL B 188 0.608 -8.533 5.446 1.00 0.00 H new ATOM 0 HG13 VAL B 188 1.414 -9.705 6.516 1.00 0.00 H new ATOM 0 HG21 VAL B 188 0.366 -12.201 5.024 1.00 0.00 H new ATOM 0 HG22 VAL B 188 0.360 -12.037 6.796 1.00 0.00 H new ATOM 0 HG23 VAL B 188 -1.154 -12.390 5.929 1.00 0.00 H new ATOM 1245 N TYR B 189 -1.774 -7.678 5.919 1.00 0.00 N ATOM 1246 CA TYR B 189 -2.623 -6.606 5.412 1.00 0.00 C ATOM 1247 C TYR B 189 -3.035 -6.864 3.966 1.00 0.00 C ATOM 1248 O TYR B 189 -2.219 -7.274 3.142 1.00 0.00 O ATOM 1249 CB TYR B 189 -1.896 -5.263 5.514 1.00 0.00 C ATOM 1250 CG TYR B 189 -1.742 -4.763 6.933 1.00 0.00 C ATOM 1251 CD1 TYR B 189 -0.676 -5.176 7.723 1.00 0.00 C ATOM 1252 CD2 TYR B 189 -2.662 -3.879 7.482 1.00 0.00 C ATOM 1253 CE1 TYR B 189 -0.533 -4.722 9.020 1.00 0.00 C ATOM 1254 CE2 TYR B 189 -2.526 -3.421 8.778 1.00 0.00 C ATOM 1255 CZ TYR B 189 -1.459 -3.844 9.543 1.00 0.00 C ATOM 1256 OH TYR B 189 -1.319 -3.390 10.834 1.00 0.00 O ATOM 0 H TYR B 189 -0.773 -7.501 5.831 1.00 0.00 H new ATOM 0 HA TYR B 189 -3.525 -6.575 6.023 1.00 0.00 H new ATOM 0 HB2 TYR B 189 -0.909 -5.359 5.062 1.00 0.00 H new ATOM 0 HB3 TYR B 189 -2.441 -4.519 4.933 1.00 0.00 H new ATOM 0 HD1 TYR B 189 0.052 -5.863 7.317 1.00 0.00 H new ATOM 0 HD2 TYR B 189 -3.498 -3.544 6.886 1.00 0.00 H new ATOM 0 HE1 TYR B 189 0.300 -5.053 9.622 1.00 0.00 H new ATOM 0 HE2 TYR B 189 -3.251 -2.735 9.190 1.00 0.00 H new ATOM 0 HH TYR B 189 -2.054 -2.778 11.047 1.00 0.00 H new ATOM 1266 N TYR B 190 -4.306 -6.618 3.665 1.00 0.00 N ATOM 1267 CA TYR B 190 -4.827 -6.818 2.318 1.00 0.00 C ATOM 1268 C TYR B 190 -5.785 -5.695 1.939 1.00 0.00 C ATOM 1269 O TYR B 190 -6.782 -5.463 2.623 1.00 0.00 O ATOM 1270 CB TYR B 190 -5.550 -8.165 2.218 1.00 0.00 C ATOM 1271 CG TYR B 190 -4.646 -9.362 2.413 1.00 0.00 C ATOM 1272 CD1 TYR B 190 -4.114 -9.657 3.661 1.00 0.00 C ATOM 1273 CD2 TYR B 190 -4.331 -10.200 1.351 1.00 0.00 C ATOM 1274 CE1 TYR B 190 -3.291 -10.752 3.845 1.00 0.00 C ATOM 1275 CE2 TYR B 190 -3.511 -11.298 1.526 1.00 0.00 C ATOM 1276 CZ TYR B 190 -2.994 -11.570 2.775 1.00 0.00 C ATOM 1277 OH TYR B 190 -2.176 -12.662 2.953 1.00 0.00 O ATOM 0 H TYR B 190 -4.995 -6.279 4.337 1.00 0.00 H new ATOM 0 HA TYR B 190 -3.984 -6.812 1.627 1.00 0.00 H new ATOM 0 HB2 TYR B 190 -6.344 -8.196 2.964 1.00 0.00 H new ATOM 0 HB3 TYR B 190 -6.028 -8.238 1.241 1.00 0.00 H new ATOM 0 HD1 TYR B 190 -4.347 -9.020 4.502 1.00 0.00 H new ATOM 0 HD2 TYR B 190 -4.734 -9.990 0.371 1.00 0.00 H new ATOM 0 HE1 TYR B 190 -2.883 -10.966 4.822 1.00 0.00 H new ATOM 0 HE2 TYR B 190 -3.276 -11.940 0.689 1.00 0.00 H new ATOM 0 HH TYR B 190 -2.069 -13.133 2.100 1.00 0.00 H new ATOM 1287 N THR B 191 -5.483 -4.998 0.847 1.00 0.00 N ATOM 1288 CA THR B 191 -6.335 -3.900 0.391 1.00 0.00 C ATOM 1289 C THR B 191 -7.414 -4.400 -0.565 1.00 0.00 C ATOM 1290 O THR B 191 -7.619 -3.842 -1.643 1.00 0.00 O ATOM 1291 CB THR B 191 -5.495 -2.808 -0.278 1.00 0.00 C ATOM 1292 OG1 THR B 191 -4.520 -2.303 0.619 1.00 0.00 O ATOM 1293 CG2 THR B 191 -6.315 -1.631 -0.763 1.00 0.00 C ATOM 0 H THR B 191 -4.663 -5.170 0.265 1.00 0.00 H new ATOM 0 HA THR B 191 -6.828 -3.475 1.265 1.00 0.00 H new ATOM 0 HB THR B 191 -5.033 -3.291 -1.139 1.00 0.00 H new ATOM 0 HG1 THR B 191 -4.449 -1.332 0.512 1.00 0.00 H new ATOM 0 HG21 THR B 191 -5.657 -0.896 -1.226 1.00 0.00 H new ATOM 0 HG22 THR B 191 -7.047 -1.974 -1.494 1.00 0.00 H new ATOM 0 HG23 THR B 191 -6.832 -1.175 0.081 1.00 0.00 H new ATOM 1301 N CYS B 192 -8.109 -5.456 -0.156 1.00 0.00 N ATOM 1302 CA CYS B 192 -9.177 -6.035 -0.963 1.00 0.00 C ATOM 1303 C CYS B 192 -10.496 -5.401 -0.642 1.00 0.00 C ATOM 1304 O CYS B 192 -10.652 -4.701 0.359 1.00 0.00 O ATOM 1305 CB CYS B 192 -9.310 -7.552 -0.694 1.00 0.00 C ATOM 1306 SG CYS B 192 -11.023 -8.269 -0.708 1.00 0.00 S ATOM 0 H CYS B 192 -7.951 -5.930 0.733 1.00 0.00 H new ATOM 0 HA CYS B 192 -8.918 -5.857 -2.007 1.00 0.00 H new ATOM 0 HB2 CYS B 192 -8.716 -8.081 -1.440 1.00 0.00 H new ATOM 0 HB3 CYS B 192 -8.863 -7.763 0.277 1.00 0.00 H new ATOM 1311 N CYS B 193 -11.468 -5.772 -1.445 1.00 0.00 N ATOM 1312 CA CYS B 193 -12.835 -5.376 -1.217 1.00 0.00 C ATOM 1313 C CYS B 193 -12.947 -3.915 -0.774 1.00 0.00 C ATOM 1314 O CYS B 193 -13.212 -3.631 0.395 1.00 0.00 O ATOM 1315 CB CYS B 193 -13.393 -6.323 -0.143 1.00 0.00 C ATOM 1316 SG CYS B 193 -12.105 -7.307 0.749 1.00 0.00 S ATOM 0 H CYS B 193 -11.332 -6.355 -2.271 1.00 0.00 H new ATOM 0 HA CYS B 193 -13.406 -5.447 -2.143 1.00 0.00 H new ATOM 0 HB2 CYS B 193 -13.954 -5.737 0.585 1.00 0.00 H new ATOM 0 HB3 CYS B 193 -14.098 -7.010 -0.612 1.00 0.00 H new ATOM 1321 N PRO B 194 -12.741 -2.968 -1.705 1.00 0.00 N ATOM 1322 CA PRO B 194 -12.815 -1.536 -1.403 1.00 0.00 C ATOM 1323 C PRO B 194 -14.224 -1.098 -0.996 1.00 0.00 C ATOM 1324 O PRO B 194 -14.551 -1.075 0.190 1.00 0.00 O ATOM 1325 CB PRO B 194 -12.381 -0.865 -2.712 1.00 0.00 C ATOM 1326 CG PRO B 194 -12.636 -1.883 -3.770 1.00 0.00 C ATOM 1327 CD PRO B 194 -12.415 -3.220 -3.121 1.00 0.00 C ATOM 0 HA PRO B 194 -12.187 -1.265 -0.554 1.00 0.00 H new ATOM 0 HB2 PRO B 194 -12.950 0.046 -2.896 1.00 0.00 H new ATOM 0 HB3 PRO B 194 -11.329 -0.583 -2.681 1.00 0.00 H new ATOM 0 HG2 PRO B 194 -13.652 -1.799 -4.155 1.00 0.00 H new ATOM 0 HG3 PRO B 194 -11.963 -1.744 -4.616 1.00 0.00 H new ATOM 0 HD2 PRO B 194 -13.058 -3.987 -3.551 1.00 0.00 H new ATOM 0 HD3 PRO B 194 -11.387 -3.561 -3.243 1.00 0.00 H new ATOM 1335 N ASP B 195 -15.056 -0.749 -1.976 1.00 0.00 N ATOM 1336 CA ASP B 195 -16.420 -0.312 -1.697 1.00 0.00 C ATOM 1337 C ASP B 195 -17.440 -1.386 -2.069 1.00 0.00 C ATOM 1338 O ASP B 195 -18.638 -1.113 -2.142 1.00 0.00 O ATOM 1339 CB ASP B 195 -16.724 0.980 -2.457 1.00 0.00 C ATOM 1340 CG ASP B 195 -18.063 1.577 -2.070 1.00 0.00 C ATOM 1341 OD1 ASP B 195 -18.456 1.439 -0.893 1.00 0.00 O ATOM 1342 OD2 ASP B 195 -18.717 2.183 -2.945 1.00 0.00 O ATOM 0 H ASP B 195 -14.810 -0.761 -2.966 1.00 0.00 H new ATOM 0 HA ASP B 195 -16.498 -0.130 -0.625 1.00 0.00 H new ATOM 0 HB2 ASP B 195 -15.935 1.707 -2.262 1.00 0.00 H new ATOM 0 HB3 ASP B 195 -16.715 0.779 -3.528 1.00 0.00 H new ATOM 1347 N THR B 196 -16.965 -2.607 -2.305 1.00 0.00 N ATOM 1348 CA THR B 196 -17.851 -3.708 -2.667 1.00 0.00 C ATOM 1349 C THR B 196 -18.549 -4.311 -1.455 1.00 0.00 C ATOM 1350 O THR B 196 -19.620 -4.899 -1.608 1.00 0.00 O ATOM 1351 CB THR B 196 -17.088 -4.789 -3.435 1.00 0.00 C ATOM 1352 OG1 THR B 196 -16.013 -5.288 -2.661 1.00 0.00 O ATOM 1353 CG2 THR B 196 -16.521 -4.303 -4.751 1.00 0.00 C ATOM 0 H THR B 196 -15.978 -2.857 -2.252 1.00 0.00 H new ATOM 0 HA THR B 196 -18.624 -3.293 -3.314 1.00 0.00 H new ATOM 0 HB THR B 196 -17.821 -5.568 -3.642 1.00 0.00 H new ATOM 0 HG1 THR B 196 -15.538 -5.979 -3.168 1.00 0.00 H new ATOM 0 HG21 THR B 196 -15.993 -5.120 -5.243 1.00 0.00 H new ATOM 0 HG22 THR B 196 -17.333 -3.958 -5.391 1.00 0.00 H new ATOM 0 HG23 THR B 196 -15.829 -3.481 -4.568 1.00 0.00 H new ATOM 1361 N PRO B 197 -18.012 -4.156 -0.221 1.00 0.00 N ATOM 1362 CA PRO B 197 -18.688 -4.670 0.975 1.00 0.00 C ATOM 1363 C PRO B 197 -20.014 -3.929 1.175 1.00 0.00 C ATOM 1364 O PRO B 197 -20.502 -3.765 2.293 1.00 0.00 O ATOM 1365 CB PRO B 197 -17.718 -4.353 2.123 1.00 0.00 C ATOM 1366 CG PRO B 197 -16.422 -4.009 1.469 1.00 0.00 C ATOM 1367 CD PRO B 197 -16.764 -3.455 0.116 1.00 0.00 C ATOM 0 HA PRO B 197 -18.920 -5.733 0.911 1.00 0.00 H new ATOM 0 HB2 PRO B 197 -18.084 -3.524 2.728 1.00 0.00 H new ATOM 0 HB3 PRO B 197 -17.606 -5.208 2.789 1.00 0.00 H new ATOM 0 HG2 PRO B 197 -15.871 -3.278 2.060 1.00 0.00 H new ATOM 0 HG3 PRO B 197 -15.787 -4.890 1.379 1.00 0.00 H new ATOM 0 HD2 PRO B 197 -16.903 -2.374 0.145 1.00 0.00 H new ATOM 0 HD3 PRO B 197 -15.979 -3.656 -0.613 1.00 0.00 H new ATOM 1375 N TYR B 198 -20.559 -3.469 0.051 1.00 0.00 N ATOM 1376 CA TYR B 198 -21.791 -2.718 -0.012 1.00 0.00 C ATOM 1377 C TYR B 198 -23.006 -3.638 0.079 1.00 0.00 C ATOM 1378 O TYR B 198 -23.231 -4.415 -0.872 1.00 0.00 O ATOM 1379 CB TYR B 198 -21.796 -1.952 -1.339 1.00 0.00 C ATOM 1380 CG TYR B 198 -22.877 -0.898 -1.435 1.00 0.00 C ATOM 1381 CD1 TYR B 198 -23.068 0.022 -0.413 1.00 0.00 C ATOM 1382 CD2 TYR B 198 -23.704 -0.823 -2.549 1.00 0.00 C ATOM 1383 CE1 TYR B 198 -24.054 0.987 -0.497 1.00 0.00 C ATOM 1384 CE2 TYR B 198 -24.692 0.139 -2.641 1.00 0.00 C ATOM 1385 CZ TYR B 198 -24.863 1.041 -1.611 1.00 0.00 C ATOM 1386 OH TYR B 198 -25.845 2.000 -1.699 1.00 0.00 O ATOM 0 H TYR B 198 -20.135 -3.618 -0.865 1.00 0.00 H new ATOM 0 HA TYR B 198 -21.851 -2.030 0.831 1.00 0.00 H new ATOM 0 HB2 TYR B 198 -20.825 -1.476 -1.476 1.00 0.00 H new ATOM 0 HB3 TYR B 198 -21.921 -2.662 -2.157 1.00 0.00 H new ATOM 0 HD1 TYR B 198 -22.436 -0.017 0.462 1.00 0.00 H new ATOM 0 HD2 TYR B 198 -23.573 -1.528 -3.356 1.00 0.00 H new ATOM 0 HE1 TYR B 198 -24.190 1.695 0.307 1.00 0.00 H new ATOM 0 HE2 TYR B 198 -25.326 0.184 -3.514 1.00 0.00 H new ATOM 0 HH TYR B 198 -26.324 1.900 -2.548 1.00 0.00 H new TER 1396 TYR B 198