USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=27 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 8 THR OG1 : rot -100:sc= 1.37 USER MOD Set 1.2: B 191 THR OG1 : rot -166:sc= -5.32! USER MOD Set 2.1: A 34 SER OG : rot 180:sc= 0.00104 USER MOD Set 2.2: A 35 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 9 SER OG : rot 71:sc= 0.656 USER MOD Set 3.2: A 12 SER OG : rot 132:sc= 0.777 USER MOD Set 4.1: A 4 HIS : no HE2:sc= -7.16! C(o=-17!,f=-19!) USER MOD Set 4.2: A 66 ASN : amide:sc= -9.45! C(o=-17!,f=-20!) USER MOD Single : A 1 ILE N :NH3+ -149:sc= -0.245 (180deg=-1.29!) USER MOD Single : A 5 THR OG1 : rot -150:sc= -0.111 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0503 USER MOD Single : A 15 THR OG1 : rot 28:sc= 0.623 USER MOD Single : A 21 ASN : amide:sc= -6.82 K(o=-6.8,f=-8.9!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -162:sc= -0.189 (180deg=-0.712) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -139:sc= -0.465 (180deg=-2.22) USER MOD Single : A 47 THR OG1 : rot 180:sc= -2.01! USER MOD Single : A 50 SER OG : rot 170:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -7:sc= -0.704 USER MOD Single : A 61 SER OG : rot 130:sc= -1.83! USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.576 USER MOD Single : A 64 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00514) USER MOD Single : A 68 HIS : no HD1:sc= -1.74 K(o=-1.7,f=-3.1!) USER MOD Single : A 70 LYS NZ :NH3+ 176:sc= -1.82 (180deg=-1.89) USER MOD Single : A 71 GLN : amide:sc= -0.438 X(o=-0.44,f=-0.42) 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= -0.0468 X(o=-0.047,f=-0.37) 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 196 THR OG1 : rot -56:sc= 0.597 USER MOD Single : B 198 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -4.262 15.917 -7.253 1.00 0.00 N ATOM 2 CA ILE A 1 -2.927 15.652 -6.657 1.00 0.00 C ATOM 3 C ILE A 1 -3.057 15.075 -5.251 1.00 0.00 C ATOM 4 O ILE A 1 -2.567 15.654 -4.281 1.00 0.00 O ATOM 5 CB ILE A 1 -2.080 16.940 -6.592 1.00 0.00 C ATOM 6 CG1 ILE A 1 -2.164 17.705 -7.915 1.00 0.00 C ATOM 7 CG2 ILE A 1 -0.634 16.606 -6.254 1.00 0.00 C ATOM 8 CD1 ILE A 1 -2.903 19.020 -7.801 1.00 0.00 C ATOM 0 H1 ILE A 1 -4.212 15.795 -8.285 1.00 0.00 H new ATOM 0 H2 ILE A 1 -4.957 15.251 -6.859 1.00 0.00 H new ATOM 0 H3 ILE A 1 -4.553 16.891 -7.033 1.00 0.00 H new ATOM 0 HA ILE A 1 -2.430 14.926 -7.300 1.00 0.00 H new ATOM 0 HB ILE A 1 -2.479 17.579 -5.804 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -1.155 17.894 -8.282 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -2.661 17.080 -8.657 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -0.049 17.525 -6.212 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -0.593 16.105 -5.287 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -0.223 15.949 -7.021 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -2.926 19.510 -8.774 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -3.923 18.836 -7.464 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -2.394 19.663 -7.083 1.00 0.00 H new ATOM 22 N VAL A 2 -3.723 13.928 -5.144 1.00 0.00 N ATOM 23 CA VAL A 2 -3.915 13.280 -3.854 1.00 0.00 C ATOM 24 C VAL A 2 -4.271 11.803 -4.025 1.00 0.00 C ATOM 25 O VAL A 2 -4.399 11.310 -5.145 1.00 0.00 O ATOM 26 CB VAL A 2 -5.012 13.998 -3.029 1.00 0.00 C ATOM 27 CG1 VAL A 2 -6.375 13.340 -3.214 1.00 0.00 C ATOM 28 CG2 VAL A 2 -4.628 14.041 -1.559 1.00 0.00 C ATOM 0 H VAL A 2 -4.137 13.431 -5.933 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.972 13.347 -3.312 1.00 0.00 H new ATOM 0 HB VAL A 2 -5.091 15.020 -3.398 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -7.119 13.871 -2.620 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -6.657 13.377 -4.266 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -6.325 12.301 -2.888 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -5.409 14.549 -0.994 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.511 13.024 -1.184 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.688 14.581 -1.444 1.00 0.00 H new ATOM 38 N CYS A 3 -4.431 11.105 -2.904 1.00 0.00 N ATOM 39 CA CYS A 3 -4.776 9.689 -2.925 1.00 0.00 C ATOM 40 C CYS A 3 -6.193 9.498 -3.462 1.00 0.00 C ATOM 41 O CYS A 3 -6.727 10.379 -4.135 1.00 0.00 O ATOM 42 CB CYS A 3 -4.651 9.098 -1.519 1.00 0.00 C ATOM 43 SG CYS A 3 -3.187 9.672 -0.594 1.00 0.00 S ATOM 0 H CYS A 3 -4.327 11.499 -1.969 1.00 0.00 H new ATOM 0 HA CYS A 3 -4.084 9.166 -3.585 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.547 9.348 -0.951 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -4.615 8.011 -1.596 1.00 0.00 H new ATOM 48 N HIS A 4 -6.808 8.352 -3.167 1.00 0.00 N ATOM 49 CA HIS A 4 -8.163 8.089 -3.640 1.00 0.00 C ATOM 50 C HIS A 4 -8.883 7.053 -2.777 1.00 0.00 C ATOM 51 O HIS A 4 -8.286 6.080 -2.315 1.00 0.00 O ATOM 52 CB HIS A 4 -8.145 7.636 -5.103 1.00 0.00 C ATOM 53 CG HIS A 4 -7.307 6.419 -5.361 1.00 0.00 C ATOM 54 ND1 HIS A 4 -6.805 5.615 -4.358 1.00 0.00 N ATOM 55 CD2 HIS A 4 -6.899 5.860 -6.526 1.00 0.00 C ATOM 56 CE1 HIS A 4 -6.128 4.617 -4.895 1.00 0.00 C ATOM 57 NE2 HIS A 4 -6.169 4.742 -6.208 1.00 0.00 N ATOM 0 H HIS A 4 -6.395 7.603 -2.611 1.00 0.00 H new ATOM 0 HA HIS A 4 -8.717 9.025 -3.562 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -9.168 7.433 -5.421 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -7.776 8.455 -5.720 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -6.936 5.768 -3.358 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -7.109 6.226 -7.520 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -5.625 3.831 -4.351 1.00 0.00 H new ATOM 66 N THR A 5 -10.176 7.282 -2.569 1.00 0.00 N ATOM 67 CA THR A 5 -11.017 6.403 -1.775 1.00 0.00 C ATOM 68 C THR A 5 -10.944 4.969 -2.270 1.00 0.00 C ATOM 69 O THR A 5 -11.061 4.026 -1.489 1.00 0.00 O ATOM 70 CB THR A 5 -12.456 6.906 -1.829 1.00 0.00 C ATOM 71 OG1 THR A 5 -13.059 6.582 -3.072 1.00 0.00 O ATOM 72 CG2 THR A 5 -12.555 8.398 -1.644 1.00 0.00 C ATOM 0 H THR A 5 -10.670 8.089 -2.951 1.00 0.00 H new ATOM 0 HA THR A 5 -10.658 6.414 -0.746 1.00 0.00 H new ATOM 0 HB THR A 5 -12.974 6.411 -1.007 1.00 0.00 H new ATOM 0 HG1 THR A 5 -13.731 7.260 -3.296 1.00 0.00 H new ATOM 0 HG21 THR A 5 -13.601 8.702 -1.691 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.141 8.673 -0.674 1.00 0.00 H new ATOM 0 HG23 THR A 5 -11.995 8.900 -2.433 1.00 0.00 H new ATOM 80 N THR A 6 -10.732 4.809 -3.572 1.00 0.00 N ATOM 81 CA THR A 6 -10.625 3.483 -4.162 1.00 0.00 C ATOM 82 C THR A 6 -9.471 2.705 -3.531 1.00 0.00 C ATOM 83 O THR A 6 -9.288 1.519 -3.806 1.00 0.00 O ATOM 84 CB THR A 6 -10.417 3.588 -5.674 1.00 0.00 C ATOM 85 OG1 THR A 6 -11.015 4.768 -6.182 1.00 0.00 O ATOM 86 CG2 THR A 6 -10.991 2.416 -6.439 1.00 0.00 C ATOM 0 H THR A 6 -10.632 5.578 -4.235 1.00 0.00 H new ATOM 0 HA THR A 6 -11.555 2.948 -3.969 1.00 0.00 H new ATOM 0 HB THR A 6 -9.337 3.600 -5.817 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.870 4.818 -7.150 1.00 0.00 H new ATOM 0 HG21 THR A 6 -10.809 2.553 -7.505 1.00 0.00 H new ATOM 0 HG22 THR A 6 -10.514 1.495 -6.105 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.064 2.354 -6.259 1.00 0.00 H new ATOM 94 N ALA A 7 -8.695 3.380 -2.683 1.00 0.00 N ATOM 95 CA ALA A 7 -7.562 2.746 -2.016 1.00 0.00 C ATOM 96 C ALA A 7 -8.030 1.785 -0.927 1.00 0.00 C ATOM 97 O ALA A 7 -8.883 2.129 -0.109 1.00 0.00 O ATOM 98 CB ALA A 7 -6.637 3.801 -1.430 1.00 0.00 C ATOM 0 H ALA A 7 -8.831 4.362 -2.443 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.012 2.169 -2.760 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.797 3.314 -0.936 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.266 4.443 -2.229 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.185 4.403 -0.705 1.00 0.00 H new ATOM 104 N THR A 8 -7.462 0.581 -0.921 1.00 0.00 N ATOM 105 CA THR A 8 -7.816 -0.434 0.069 1.00 0.00 C ATOM 106 C THR A 8 -9.276 -0.858 -0.077 1.00 0.00 C ATOM 107 O THR A 8 -9.572 -1.924 -0.617 1.00 0.00 O ATOM 108 CB THR A 8 -7.562 0.094 1.486 1.00 0.00 C ATOM 109 OG1 THR A 8 -6.201 0.449 1.653 1.00 0.00 O ATOM 110 CG2 THR A 8 -7.913 -0.903 2.570 1.00 0.00 C ATOM 0 H THR A 8 -6.753 0.284 -1.592 1.00 0.00 H new ATOM 0 HA THR A 8 -7.187 -1.307 -0.104 1.00 0.00 H new ATOM 0 HB THR A 8 -8.212 0.962 1.590 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.730 -0.271 2.122 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.709 -0.465 3.547 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.970 -1.159 2.501 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.313 -1.804 2.444 1.00 0.00 H new ATOM 118 N SER A 9 -10.182 -0.018 0.409 1.00 0.00 N ATOM 119 CA SER A 9 -11.610 -0.302 0.335 1.00 0.00 C ATOM 120 C SER A 9 -12.256 0.483 -0.803 1.00 0.00 C ATOM 121 O SER A 9 -11.614 1.337 -1.414 1.00 0.00 O ATOM 122 CB SER A 9 -12.282 0.049 1.667 1.00 0.00 C ATOM 123 OG SER A 9 -11.403 0.776 2.510 1.00 0.00 O ATOM 0 H SER A 9 -9.952 0.868 0.860 1.00 0.00 H new ATOM 0 HA SER A 9 -11.743 -1.366 0.138 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.180 0.638 1.480 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.599 -0.865 2.169 1.00 0.00 H new ATOM 0 HG SER A 9 -11.277 1.679 2.151 1.00 0.00 H new ATOM 129 N PRO A 10 -13.541 0.218 -1.101 1.00 0.00 N ATOM 130 CA PRO A 10 -14.261 0.921 -2.168 1.00 0.00 C ATOM 131 C PRO A 10 -14.143 2.431 -2.018 1.00 0.00 C ATOM 132 O PRO A 10 -13.924 3.153 -2.992 1.00 0.00 O ATOM 133 CB PRO A 10 -15.720 0.473 -1.985 1.00 0.00 C ATOM 134 CG PRO A 10 -15.766 -0.171 -0.639 1.00 0.00 C ATOM 135 CD PRO A 10 -14.405 -0.762 -0.429 1.00 0.00 C ATOM 0 HA PRO A 10 -13.863 0.690 -3.156 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -16.402 1.321 -2.039 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -16.018 -0.226 -2.766 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -16.001 0.558 0.137 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -16.538 -0.940 -0.598 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -14.162 -0.863 0.629 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -14.318 -1.754 -0.872 1.00 0.00 H new ATOM 143 N ILE A 11 -14.280 2.898 -0.782 1.00 0.00 N ATOM 144 CA ILE A 11 -14.181 4.322 -0.485 1.00 0.00 C ATOM 145 C ILE A 11 -13.631 4.541 0.921 1.00 0.00 C ATOM 146 O ILE A 11 -14.158 3.996 1.890 1.00 0.00 O ATOM 147 CB ILE A 11 -15.549 5.020 -0.603 1.00 0.00 C ATOM 148 CG1 ILE A 11 -16.270 4.566 -1.876 1.00 0.00 C ATOM 149 CG2 ILE A 11 -15.381 6.532 -0.590 1.00 0.00 C ATOM 150 CD1 ILE A 11 -17.597 5.258 -2.103 1.00 0.00 C ATOM 0 H ILE A 11 -14.460 2.310 0.032 1.00 0.00 H new ATOM 0 HA ILE A 11 -13.501 4.756 -1.218 1.00 0.00 H new ATOM 0 HB ILE A 11 -16.157 4.738 0.257 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -15.623 4.749 -2.734 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -16.435 3.490 -1.825 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -16.358 7.007 -0.674 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -14.908 6.838 0.343 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -14.756 6.836 -1.430 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -18.049 4.886 -3.022 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -18.262 5.054 -1.264 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -17.437 6.333 -2.187 1.00 0.00 H new ATOM 162 N SER A 12 -12.565 5.330 1.030 1.00 0.00 N ATOM 163 CA SER A 12 -11.956 5.593 2.333 1.00 0.00 C ATOM 164 C SER A 12 -11.547 7.057 2.501 1.00 0.00 C ATOM 165 O SER A 12 -11.319 7.515 3.621 1.00 0.00 O ATOM 166 CB SER A 12 -10.737 4.692 2.536 1.00 0.00 C ATOM 167 OG SER A 12 -10.813 3.537 1.719 1.00 0.00 O ATOM 0 H SER A 12 -12.109 5.793 0.244 1.00 0.00 H new ATOM 0 HA SER A 12 -12.711 5.374 3.088 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.828 5.247 2.303 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.670 4.397 3.583 1.00 0.00 H new ATOM 0 HG SER A 12 -9.961 3.410 1.252 1.00 0.00 H new ATOM 173 N ALA A 13 -11.446 7.792 1.396 1.00 0.00 N ATOM 174 CA ALA A 13 -11.054 9.196 1.452 1.00 0.00 C ATOM 175 C ALA A 13 -9.704 9.355 2.146 1.00 0.00 C ATOM 176 O ALA A 13 -9.588 10.052 3.154 1.00 0.00 O ATOM 177 CB ALA A 13 -12.119 10.013 2.167 1.00 0.00 C ATOM 0 H ALA A 13 -11.629 7.440 0.456 1.00 0.00 H new ATOM 0 HA ALA A 13 -10.957 9.566 0.431 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -11.813 11.059 2.201 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -13.064 9.929 1.630 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -12.244 9.638 3.183 1.00 0.00 H new ATOM 183 N VAL A 14 -8.687 8.693 1.602 1.00 0.00 N ATOM 184 CA VAL A 14 -7.348 8.738 2.157 1.00 0.00 C ATOM 185 C VAL A 14 -6.522 9.861 1.523 1.00 0.00 C ATOM 186 O VAL A 14 -5.301 9.764 1.413 1.00 0.00 O ATOM 187 CB VAL A 14 -6.652 7.385 1.924 1.00 0.00 C ATOM 188 CG1 VAL A 14 -6.705 7.019 0.448 1.00 0.00 C ATOM 189 CG2 VAL A 14 -5.224 7.407 2.435 1.00 0.00 C ATOM 0 H VAL A 14 -8.772 8.114 0.767 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.425 8.937 3.226 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.185 6.620 2.489 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -6.210 6.060 0.293 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.745 6.947 0.128 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -6.198 7.787 -0.136 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.759 6.438 2.256 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.662 8.181 1.912 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.223 7.618 3.504 1.00 0.00 H new ATOM 199 N THR A 15 -7.194 10.927 1.104 1.00 0.00 N ATOM 200 CA THR A 15 -6.516 12.056 0.482 1.00 0.00 C ATOM 201 C THR A 15 -5.756 12.884 1.515 1.00 0.00 C ATOM 202 O THR A 15 -6.346 13.409 2.460 1.00 0.00 O ATOM 203 CB THR A 15 -7.527 12.940 -0.250 1.00 0.00 C ATOM 204 OG1 THR A 15 -8.359 13.619 0.673 1.00 0.00 O ATOM 205 CG2 THR A 15 -8.424 12.165 -1.193 1.00 0.00 C ATOM 0 H THR A 15 -8.205 11.032 1.184 1.00 0.00 H new ATOM 0 HA THR A 15 -5.796 11.661 -0.234 1.00 0.00 H new ATOM 0 HB THR A 15 -6.931 13.641 -0.834 1.00 0.00 H new ATOM 0 HG1 THR A 15 -7.875 13.750 1.515 1.00 0.00 H new ATOM 0 HG21 THR A 15 -9.118 12.850 -1.680 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.815 11.667 -1.948 1.00 0.00 H new ATOM 0 HG23 THR A 15 -8.986 11.419 -0.630 1.00 0.00 H new ATOM 213 N CYS A 16 -4.444 13.004 1.323 1.00 0.00 N ATOM 214 CA CYS A 16 -3.602 13.776 2.232 1.00 0.00 C ATOM 215 C CYS A 16 -4.089 15.226 2.312 1.00 0.00 C ATOM 216 O CYS A 16 -4.508 15.799 1.306 1.00 0.00 O ATOM 217 CB CYS A 16 -2.147 13.733 1.758 1.00 0.00 C ATOM 218 SG CYS A 16 -0.916 13.765 3.103 1.00 0.00 S ATOM 0 H CYS A 16 -3.941 12.576 0.545 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.665 13.335 3.227 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.997 12.830 1.166 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.968 14.581 1.097 1.00 0.00 H new ATOM 223 N PRO A 17 -4.051 15.838 3.511 1.00 0.00 N ATOM 224 CA PRO A 17 -4.503 17.222 3.700 1.00 0.00 C ATOM 225 C PRO A 17 -3.745 18.219 2.822 1.00 0.00 C ATOM 226 O PRO A 17 -4.357 19.038 2.137 1.00 0.00 O ATOM 227 CB PRO A 17 -4.237 17.500 5.184 1.00 0.00 C ATOM 228 CG PRO A 17 -4.123 16.157 5.823 1.00 0.00 C ATOM 229 CD PRO A 17 -3.578 15.234 4.769 1.00 0.00 C ATOM 0 HA PRO A 17 -5.549 17.339 3.416 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.323 18.078 5.318 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -5.048 18.079 5.627 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -3.461 16.193 6.688 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.094 15.812 6.178 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.490 15.180 4.805 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.952 14.217 4.892 1.00 0.00 H new ATOM 237 N PRO A 18 -2.401 18.168 2.828 1.00 0.00 N ATOM 238 CA PRO A 18 -1.576 19.073 2.026 1.00 0.00 C ATOM 239 C PRO A 18 -1.451 18.615 0.576 1.00 0.00 C ATOM 240 O PRO A 18 -2.120 17.672 0.152 1.00 0.00 O ATOM 241 CB PRO A 18 -0.222 19.007 2.726 1.00 0.00 C ATOM 242 CG PRO A 18 -0.158 17.625 3.282 1.00 0.00 C ATOM 243 CD PRO A 18 -1.576 17.227 3.611 1.00 0.00 C ATOM 0 HA PRO A 18 -1.999 20.076 1.967 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.595 19.193 2.029 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -0.145 19.756 3.514 1.00 0.00 H new ATOM 0 HG2 PRO A 18 0.280 16.936 2.559 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.470 17.594 4.173 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -1.776 16.193 3.331 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -1.777 17.313 4.679 1.00 0.00 H new ATOM 251 N GLY A 19 -0.585 19.285 -0.177 1.00 0.00 N ATOM 252 CA GLY A 19 -0.382 18.931 -1.570 1.00 0.00 C ATOM 253 C GLY A 19 1.003 18.365 -1.821 1.00 0.00 C ATOM 254 O GLY A 19 1.975 18.792 -1.200 1.00 0.00 O ATOM 0 H GLY A 19 -0.020 20.067 0.153 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.132 18.199 -1.870 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.531 19.813 -2.193 1.00 0.00 H new ATOM 258 N GLU A 20 1.093 17.399 -2.731 1.00 0.00 N ATOM 259 CA GLU A 20 2.370 16.775 -3.055 1.00 0.00 C ATOM 260 C GLU A 20 2.999 16.158 -1.809 1.00 0.00 C ATOM 261 O GLU A 20 3.977 16.677 -1.271 1.00 0.00 O ATOM 262 CB GLU A 20 3.322 17.804 -3.669 1.00 0.00 C ATOM 263 CG GLU A 20 2.675 18.659 -4.747 1.00 0.00 C ATOM 264 CD GLU A 20 3.538 18.782 -5.988 1.00 0.00 C ATOM 265 OE1 GLU A 20 4.778 18.696 -5.862 1.00 0.00 O ATOM 266 OE2 GLU A 20 2.973 18.966 -7.088 1.00 0.00 O ATOM 0 H GLU A 20 0.298 17.033 -3.255 1.00 0.00 H new ATOM 0 HA GLU A 20 2.190 15.982 -3.781 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.701 18.453 -2.880 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.181 17.285 -4.094 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.712 18.227 -5.020 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.476 19.653 -4.347 1.00 0.00 H new ATOM 273 N ASN A 21 2.421 15.052 -1.350 1.00 0.00 N ATOM 274 CA ASN A 21 2.913 14.368 -0.158 1.00 0.00 C ATOM 275 C ASN A 21 3.344 12.934 -0.468 1.00 0.00 C ATOM 276 O ASN A 21 3.911 12.254 0.388 1.00 0.00 O ATOM 277 CB ASN A 21 1.842 14.366 0.939 1.00 0.00 C ATOM 278 CG ASN A 21 0.448 14.637 0.402 1.00 0.00 C ATOM 279 OD1 ASN A 21 -0.112 15.712 0.612 1.00 0.00 O ATOM 280 ND2 ASN A 21 -0.116 13.660 -0.298 1.00 0.00 N ATOM 0 H ASN A 21 1.611 14.610 -1.785 1.00 0.00 H new ATOM 0 HA ASN A 21 3.788 14.914 0.195 1.00 0.00 H new ATOM 0 HB2 ASN A 21 1.850 13.401 1.446 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.092 15.120 1.685 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.051 13.785 -0.686 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.386 12.785 -0.447 1.00 0.00 H new ATOM 287 N LEU A 22 3.080 12.472 -1.688 1.00 0.00 N ATOM 288 CA LEU A 22 3.455 11.119 -2.084 1.00 0.00 C ATOM 289 C LEU A 22 2.742 10.082 -1.218 1.00 0.00 C ATOM 290 O LEU A 22 3.267 9.660 -0.189 1.00 0.00 O ATOM 291 CB LEU A 22 4.974 10.939 -1.973 1.00 0.00 C ATOM 292 CG LEU A 22 5.826 12.149 -2.391 1.00 0.00 C ATOM 293 CD1 LEU A 22 7.216 11.700 -2.817 1.00 0.00 C ATOM 294 CD2 LEU A 22 5.161 12.931 -3.517 1.00 0.00 C ATOM 0 H LEU A 22 2.611 13.012 -2.415 1.00 0.00 H new ATOM 0 HA LEU A 22 3.152 10.970 -3.120 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.216 10.688 -0.940 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.265 10.085 -2.585 1.00 0.00 H new ATOM 0 HG LEU A 22 5.915 12.807 -1.527 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.805 12.569 -3.110 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.705 11.193 -1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.134 11.016 -3.662 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.788 13.780 -3.790 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.031 12.282 -4.383 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.187 13.291 -3.184 1.00 0.00 H new ATOM 306 N CYS A 23 1.541 9.682 -1.643 1.00 0.00 N ATOM 307 CA CYS A 23 0.740 8.696 -0.912 1.00 0.00 C ATOM 308 C CYS A 23 1.480 7.365 -0.773 1.00 0.00 C ATOM 309 O CYS A 23 1.155 6.392 -1.453 1.00 0.00 O ATOM 310 CB CYS A 23 -0.596 8.476 -1.628 1.00 0.00 C ATOM 311 SG CYS A 23 -1.977 8.044 -0.520 1.00 0.00 S ATOM 0 H CYS A 23 1.099 10.028 -2.495 1.00 0.00 H new ATOM 0 HA CYS A 23 0.559 9.086 0.089 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -0.855 9.382 -2.176 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.474 7.682 -2.364 1.00 0.00 H new ATOM 316 N TYR A 24 2.481 7.333 0.101 1.00 0.00 N ATOM 317 CA TYR A 24 3.279 6.130 0.313 1.00 0.00 C ATOM 318 C TYR A 24 3.102 5.571 1.727 1.00 0.00 C ATOM 319 O TYR A 24 2.746 6.301 2.651 1.00 0.00 O ATOM 320 CB TYR A 24 4.753 6.453 0.040 1.00 0.00 C ATOM 321 CG TYR A 24 5.565 6.814 1.270 1.00 0.00 C ATOM 322 CD1 TYR A 24 5.043 7.624 2.274 1.00 0.00 C ATOM 323 CD2 TYR A 24 6.854 6.335 1.423 1.00 0.00 C ATOM 324 CE1 TYR A 24 5.789 7.936 3.394 1.00 0.00 C ATOM 325 CE2 TYR A 24 7.607 6.642 2.539 1.00 0.00 C ATOM 326 CZ TYR A 24 7.068 7.442 3.522 1.00 0.00 C ATOM 327 OH TYR A 24 7.814 7.752 4.637 1.00 0.00 O ATOM 0 H TYR A 24 2.760 8.129 0.675 1.00 0.00 H new ATOM 0 HA TYR A 24 2.936 5.360 -0.377 1.00 0.00 H new ATOM 0 HB2 TYR A 24 5.215 5.592 -0.443 1.00 0.00 H new ATOM 0 HB3 TYR A 24 4.804 7.281 -0.667 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.041 8.014 2.176 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.280 5.708 0.654 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.371 8.565 4.166 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.611 6.258 2.640 1.00 0.00 H new ATOM 0 HH TYR A 24 8.693 7.323 4.572 1.00 0.00 H new ATOM 337 N ARG A 25 3.366 4.276 1.896 1.00 0.00 N ATOM 338 CA ARG A 25 3.246 3.651 3.208 1.00 0.00 C ATOM 339 C ARG A 25 4.312 2.573 3.417 1.00 0.00 C ATOM 340 O ARG A 25 5.334 2.813 4.057 1.00 0.00 O ATOM 341 CB ARG A 25 1.857 3.046 3.410 1.00 0.00 C ATOM 342 CG ARG A 25 1.637 2.485 4.806 1.00 0.00 C ATOM 343 CD ARG A 25 0.234 1.920 4.969 1.00 0.00 C ATOM 344 NE ARG A 25 -0.465 2.512 6.106 1.00 0.00 N ATOM 345 CZ ARG A 25 -1.786 2.479 6.264 1.00 0.00 C ATOM 346 NH1 ARG A 25 -2.555 1.882 5.361 1.00 0.00 N ATOM 347 NH2 ARG A 25 -2.341 3.043 7.329 1.00 0.00 N ATOM 0 H ARG A 25 3.661 3.647 1.149 1.00 0.00 H new ATOM 0 HA ARG A 25 3.398 4.438 3.947 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.105 3.809 3.211 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.706 2.251 2.680 1.00 0.00 H new ATOM 0 HG2 ARG A 25 2.370 1.703 5.004 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.802 3.270 5.544 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.337 2.100 4.058 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.291 0.840 5.101 1.00 0.00 H new ATOM 0 HE ARG A 25 0.092 2.979 6.822 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.134 1.446 4.541 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.567 1.860 5.487 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.755 3.502 8.027 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.353 3.018 7.450 1.00 0.00 H new ATOM 361 N LYS A 26 4.056 1.382 2.874 1.00 0.00 N ATOM 362 CA LYS A 26 4.978 0.256 2.996 1.00 0.00 C ATOM 363 C LYS A 26 4.420 -0.968 2.270 1.00 0.00 C ATOM 364 O LYS A 26 3.429 -1.558 2.703 1.00 0.00 O ATOM 365 CB LYS A 26 5.218 -0.081 4.469 1.00 0.00 C ATOM 366 CG LYS A 26 6.602 0.306 4.965 1.00 0.00 C ATOM 367 CD LYS A 26 6.953 -0.418 6.256 1.00 0.00 C ATOM 368 CE LYS A 26 6.101 0.071 7.417 1.00 0.00 C ATOM 369 NZ LYS A 26 6.029 1.558 7.466 1.00 0.00 N ATOM 0 H LYS A 26 3.211 1.173 2.342 1.00 0.00 H new ATOM 0 HA LYS A 26 5.927 0.538 2.539 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.469 0.427 5.076 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.075 -1.152 4.616 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.343 0.070 4.201 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.644 1.383 5.127 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.809 -1.490 6.124 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.007 -0.264 6.486 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.095 -0.338 7.326 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.514 -0.303 8.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.713 1.859 8.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.969 1.958 7.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.354 1.897 6.751 1.00 0.00 H new ATOM 383 N MET A 27 5.056 -1.340 1.165 1.00 0.00 N ATOM 384 CA MET A 27 4.616 -2.488 0.376 1.00 0.00 C ATOM 385 C MET A 27 5.280 -3.772 0.868 1.00 0.00 C ATOM 386 O MET A 27 6.507 -3.872 0.901 1.00 0.00 O ATOM 387 CB MET A 27 4.944 -2.268 -1.102 1.00 0.00 C ATOM 388 CG MET A 27 3.810 -2.652 -2.042 1.00 0.00 C ATOM 389 SD MET A 27 4.280 -3.942 -3.213 1.00 0.00 S ATOM 390 CE MET A 27 4.889 -2.954 -4.577 1.00 0.00 C ATOM 0 H MET A 27 5.878 -0.864 0.794 1.00 0.00 H new ATOM 0 HA MET A 27 3.537 -2.589 0.494 1.00 0.00 H new ATOM 0 HB2 MET A 27 5.194 -1.219 -1.258 1.00 0.00 H new ATOM 0 HB3 MET A 27 5.830 -2.848 -1.359 1.00 0.00 H new ATOM 0 HG2 MET A 27 2.957 -2.993 -1.455 1.00 0.00 H new ATOM 0 HG3 MET A 27 3.485 -1.769 -2.592 1.00 0.00 H new ATOM 0 HE1 MET A 27 5.218 -3.610 -5.383 1.00 0.00 H new ATOM 0 HE2 MET A 27 4.092 -2.305 -4.940 1.00 0.00 H new ATOM 0 HE3 MET A 27 5.728 -2.345 -4.239 1.00 0.00 H new ATOM 400 N TRP A 28 4.467 -4.751 1.249 1.00 0.00 N ATOM 401 CA TRP A 28 4.986 -6.025 1.737 1.00 0.00 C ATOM 402 C TRP A 28 5.230 -6.994 0.583 1.00 0.00 C ATOM 403 O TRP A 28 4.997 -6.663 -0.579 1.00 0.00 O ATOM 404 CB TRP A 28 4.017 -6.647 2.746 1.00 0.00 C ATOM 405 CG TRP A 28 4.600 -6.792 4.118 1.00 0.00 C ATOM 406 CD1 TRP A 28 5.044 -5.789 4.930 1.00 0.00 C ATOM 407 CD2 TRP A 28 4.804 -8.013 4.841 1.00 0.00 C ATOM 408 NE1 TRP A 28 5.510 -6.311 6.112 1.00 0.00 N ATOM 409 CE2 TRP A 28 5.374 -7.674 6.082 1.00 0.00 C ATOM 410 CE3 TRP A 28 4.558 -9.361 4.559 1.00 0.00 C ATOM 411 CZ2 TRP A 28 5.702 -8.632 7.038 1.00 0.00 C ATOM 412 CZ3 TRP A 28 4.885 -10.311 5.509 1.00 0.00 C ATOM 413 CH2 TRP A 28 5.452 -9.942 6.736 1.00 0.00 C ATOM 0 H TRP A 28 3.449 -4.688 1.230 1.00 0.00 H new ATOM 0 HA TRP A 28 5.938 -5.832 2.232 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.119 -6.031 2.804 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.708 -7.628 2.385 1.00 0.00 H new ATOM 0 HD1 TRP A 28 5.031 -4.738 4.680 1.00 0.00 H new ATOM 0 HE1 TRP A 28 5.895 -5.771 6.887 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.121 -9.654 3.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.139 -8.350 7.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 4.700 -11.355 5.302 1.00 0.00 H new ATOM 0 HH2 TRP A 28 5.696 -10.707 7.458 1.00 0.00 H new ATOM 424 N CYS A 29 5.702 -8.191 0.915 1.00 0.00 N ATOM 425 CA CYS A 29 5.980 -9.211 -0.090 1.00 0.00 C ATOM 426 C CYS A 29 6.003 -10.600 0.540 1.00 0.00 C ATOM 427 O CYS A 29 5.768 -10.751 1.739 1.00 0.00 O ATOM 428 CB CYS A 29 7.318 -8.927 -0.776 1.00 0.00 C ATOM 429 SG CYS A 29 7.213 -7.742 -2.156 1.00 0.00 S ATOM 0 H CYS A 29 5.900 -8.479 1.873 1.00 0.00 H new ATOM 0 HA CYS A 29 5.184 -9.182 -0.834 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.019 -8.543 -0.035 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.729 -9.865 -1.148 1.00 0.00 H new ATOM 434 N ASP A 30 6.288 -11.611 -0.275 1.00 0.00 N ATOM 435 CA ASP A 30 6.342 -12.986 0.206 1.00 0.00 C ATOM 436 C ASP A 30 7.780 -13.498 0.227 1.00 0.00 C ATOM 437 O ASP A 30 8.399 -13.597 1.287 1.00 0.00 O ATOM 438 CB ASP A 30 5.475 -13.892 -0.674 1.00 0.00 C ATOM 439 CG ASP A 30 4.186 -14.297 0.013 1.00 0.00 C ATOM 440 OD1 ASP A 30 3.546 -13.423 0.635 1.00 0.00 O ATOM 441 OD2 ASP A 30 3.817 -15.487 -0.071 1.00 0.00 O ATOM 0 H ASP A 30 6.485 -11.504 -1.270 1.00 0.00 H new ATOM 0 HA ASP A 30 5.954 -13.005 1.225 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.241 -13.375 -1.605 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.040 -14.786 -0.939 1.00 0.00 H new ATOM 446 N ALA A 31 8.306 -13.820 -0.950 1.00 0.00 N ATOM 447 CA ALA A 31 9.670 -14.319 -1.065 1.00 0.00 C ATOM 448 C ALA A 31 10.463 -13.510 -2.086 1.00 0.00 C ATOM 449 O ALA A 31 11.367 -12.755 -1.729 1.00 0.00 O ATOM 450 CB ALA A 31 9.663 -15.792 -1.445 1.00 0.00 C ATOM 0 H ALA A 31 7.808 -13.744 -1.837 1.00 0.00 H new ATOM 0 HA ALA A 31 10.156 -14.209 -0.095 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.689 -16.151 -1.527 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.139 -16.363 -0.679 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.156 -15.919 -2.402 1.00 0.00 H new ATOM 456 N PHE A 32 10.115 -13.671 -3.359 1.00 0.00 N ATOM 457 CA PHE A 32 10.790 -12.954 -4.434 1.00 0.00 C ATOM 458 C PHE A 32 9.945 -11.781 -4.918 1.00 0.00 C ATOM 459 O PHE A 32 10.475 -10.773 -5.386 1.00 0.00 O ATOM 460 CB PHE A 32 11.086 -13.900 -5.599 1.00 0.00 C ATOM 461 CG PHE A 32 12.051 -13.334 -6.602 1.00 0.00 C ATOM 462 CD1 PHE A 32 13.386 -13.159 -6.275 1.00 0.00 C ATOM 463 CD2 PHE A 32 11.623 -12.977 -7.871 1.00 0.00 C ATOM 464 CE1 PHE A 32 14.276 -12.637 -7.195 1.00 0.00 C ATOM 465 CE2 PHE A 32 12.509 -12.456 -8.795 1.00 0.00 C ATOM 466 CZ PHE A 32 13.837 -12.286 -8.456 1.00 0.00 C ATOM 0 H PHE A 32 9.369 -14.292 -3.671 1.00 0.00 H new ATOM 0 HA PHE A 32 11.730 -12.565 -4.044 1.00 0.00 H new ATOM 0 HB2 PHE A 32 11.489 -14.833 -5.205 1.00 0.00 H new ATOM 0 HB3 PHE A 32 10.152 -14.145 -6.104 1.00 0.00 H new ATOM 0 HD1 PHE A 32 13.735 -13.433 -5.291 1.00 0.00 H new ATOM 0 HD2 PHE A 32 10.585 -13.107 -8.141 1.00 0.00 H new ATOM 0 HE1 PHE A 32 15.314 -12.504 -6.928 1.00 0.00 H new ATOM 0 HE2 PHE A 32 12.163 -12.182 -9.781 1.00 0.00 H new ATOM 0 HZ PHE A 32 14.531 -11.879 -9.176 1.00 0.00 H new ATOM 476 N CYS A 33 8.628 -11.919 -4.803 1.00 0.00 N ATOM 477 CA CYS A 33 7.708 -10.871 -5.228 1.00 0.00 C ATOM 478 C CYS A 33 7.834 -10.615 -6.727 1.00 0.00 C ATOM 479 O CYS A 33 8.570 -9.727 -7.157 1.00 0.00 O ATOM 480 CB CYS A 33 7.975 -9.580 -4.448 1.00 0.00 C ATOM 481 SG CYS A 33 6.486 -8.849 -3.694 1.00 0.00 S ATOM 0 H CYS A 33 8.174 -12.747 -4.419 1.00 0.00 H new ATOM 0 HA CYS A 33 6.691 -11.205 -5.020 1.00 0.00 H new ATOM 0 HB2 CYS A 33 8.703 -9.785 -3.664 1.00 0.00 H new ATOM 0 HB3 CYS A 33 8.426 -8.849 -5.119 1.00 0.00 H new ATOM 486 N SER A 34 7.110 -11.401 -7.518 1.00 0.00 N ATOM 487 CA SER A 34 7.140 -11.262 -8.970 1.00 0.00 C ATOM 488 C SER A 34 5.940 -10.461 -9.467 1.00 0.00 C ATOM 489 O SER A 34 6.098 -9.433 -10.124 1.00 0.00 O ATOM 490 CB SER A 34 7.159 -12.640 -9.635 1.00 0.00 C ATOM 491 OG SER A 34 6.183 -13.494 -9.063 1.00 0.00 O ATOM 0 H SER A 34 6.495 -12.141 -7.178 1.00 0.00 H new ATOM 0 HA SER A 34 8.049 -10.723 -9.239 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.973 -12.534 -10.704 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.147 -13.087 -9.526 1.00 0.00 H new ATOM 0 HG SER A 34 6.213 -14.368 -9.505 1.00 0.00 H new ATOM 497 N SER A 35 4.742 -10.940 -9.149 1.00 0.00 N ATOM 498 CA SER A 35 3.517 -10.267 -9.566 1.00 0.00 C ATOM 499 C SER A 35 2.519 -10.186 -8.415 1.00 0.00 C ATOM 500 O SER A 35 1.307 -10.213 -8.630 1.00 0.00 O ATOM 501 CB SER A 35 2.887 -11.000 -10.752 1.00 0.00 C ATOM 502 OG SER A 35 3.051 -12.402 -10.633 1.00 0.00 O ATOM 0 H SER A 35 4.593 -11.790 -8.605 1.00 0.00 H new ATOM 0 HA SER A 35 3.775 -9.252 -9.869 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.826 -10.759 -10.810 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.343 -10.655 -11.680 1.00 0.00 H new ATOM 0 HG SER A 35 2.638 -12.846 -11.403 1.00 0.00 H new ATOM 508 N ARG A 36 3.034 -10.085 -7.194 1.00 0.00 N ATOM 509 CA ARG A 36 2.186 -9.997 -6.013 1.00 0.00 C ATOM 510 C ARG A 36 2.215 -8.587 -5.426 1.00 0.00 C ATOM 511 O ARG A 36 1.317 -7.784 -5.675 1.00 0.00 O ATOM 512 CB ARG A 36 2.631 -11.017 -4.961 1.00 0.00 C ATOM 513 CG ARG A 36 1.774 -12.271 -4.925 1.00 0.00 C ATOM 514 CD ARG A 36 2.508 -13.431 -4.271 1.00 0.00 C ATOM 515 NE ARG A 36 1.626 -14.231 -3.425 1.00 0.00 N ATOM 516 CZ ARG A 36 0.732 -15.096 -3.898 1.00 0.00 C ATOM 517 NH1 ARG A 36 0.598 -15.276 -5.206 1.00 0.00 N ATOM 518 NH2 ARG A 36 -0.032 -15.784 -3.059 1.00 0.00 N ATOM 0 H ARG A 36 4.035 -10.062 -6.998 1.00 0.00 H new ATOM 0 HA ARG A 36 1.162 -10.223 -6.312 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.665 -11.300 -5.157 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.610 -10.545 -3.979 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.853 -12.068 -4.378 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.488 -12.546 -5.940 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.943 -14.066 -5.043 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.333 -13.046 -3.672 1.00 0.00 H new ATOM 0 HE ARG A 36 1.700 -14.120 -2.414 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.182 -14.750 -5.856 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.089 -15.941 -5.562 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.066 -15.650 -2.053 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.718 -16.447 -3.420 1.00 0.00 H new ATOM 532 N GLY A 37 3.254 -8.293 -4.648 1.00 0.00 N ATOM 533 CA GLY A 37 3.381 -6.978 -4.040 1.00 0.00 C ATOM 534 C GLY A 37 2.116 -6.535 -3.329 1.00 0.00 C ATOM 535 O GLY A 37 1.735 -5.365 -3.397 1.00 0.00 O ATOM 0 H GLY A 37 4.010 -8.941 -4.428 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.207 -6.990 -3.329 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.634 -6.249 -4.810 1.00 0.00 H new ATOM 539 N LYS A 38 1.461 -7.471 -2.650 1.00 0.00 N ATOM 540 CA LYS A 38 0.231 -7.170 -1.929 1.00 0.00 C ATOM 541 C LYS A 38 0.519 -6.368 -0.665 1.00 0.00 C ATOM 542 O LYS A 38 1.667 -6.026 -0.386 1.00 0.00 O ATOM 543 CB LYS A 38 -0.520 -8.463 -1.596 1.00 0.00 C ATOM 544 CG LYS A 38 0.210 -9.356 -0.608 1.00 0.00 C ATOM 545 CD LYS A 38 1.026 -10.424 -1.321 1.00 0.00 C ATOM 546 CE LYS A 38 2.461 -10.456 -0.818 1.00 0.00 C ATOM 547 NZ LYS A 38 3.263 -11.510 -1.497 1.00 0.00 N ATOM 0 H LYS A 38 1.762 -8.443 -2.584 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.402 -6.559 -2.572 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.499 -8.210 -1.189 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.692 -9.020 -2.517 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.867 -8.750 0.015 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.511 -9.831 0.057 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.564 -11.399 -1.168 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.019 -10.233 -2.394 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.925 -9.484 -0.983 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.465 -10.633 0.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.873 -11.984 -0.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.624 -12.207 -1.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.853 -11.076 -2.235 1.00 0.00 H new ATOM 561 N VAL A 39 -0.540 -6.044 0.076 1.00 0.00 N ATOM 562 CA VAL A 39 -0.427 -5.250 1.301 1.00 0.00 C ATOM 563 C VAL A 39 -0.323 -3.758 0.976 1.00 0.00 C ATOM 564 O VAL A 39 -0.303 -2.918 1.875 1.00 0.00 O ATOM 565 CB VAL A 39 0.779 -5.674 2.168 1.00 0.00 C ATOM 566 CG1 VAL A 39 0.772 -4.932 3.498 1.00 0.00 C ATOM 567 CG2 VAL A 39 0.772 -7.182 2.391 1.00 0.00 C ATOM 0 H VAL A 39 -1.494 -6.322 -0.153 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.335 -5.436 1.875 1.00 0.00 H new ATOM 0 HB VAL A 39 1.694 -5.410 1.637 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.629 -5.245 4.094 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.829 -3.859 3.316 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.147 -5.161 4.037 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.629 -7.463 3.004 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.148 -7.470 2.899 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.831 -7.692 1.430 1.00 0.00 H new ATOM 577 N VAL A 40 -0.277 -3.440 -0.321 1.00 0.00 N ATOM 578 CA VAL A 40 -0.194 -2.062 -0.798 1.00 0.00 C ATOM 579 C VAL A 40 0.794 -1.222 0.002 1.00 0.00 C ATOM 580 O VAL A 40 1.533 -1.738 0.839 1.00 0.00 O ATOM 581 CB VAL A 40 -1.579 -1.381 -0.785 1.00 0.00 C ATOM 582 CG1 VAL A 40 -2.577 -2.196 -1.591 1.00 0.00 C ATOM 583 CG2 VAL A 40 -2.070 -1.184 0.642 1.00 0.00 C ATOM 0 H VAL A 40 -0.296 -4.134 -1.068 1.00 0.00 H new ATOM 0 HA VAL A 40 0.171 -2.120 -1.824 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.484 -0.398 -1.247 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.549 -1.703 -1.572 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.232 -2.278 -2.622 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.667 -3.192 -1.158 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.048 -0.702 0.627 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.150 -2.152 1.136 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.365 -0.556 1.186 1.00 0.00 H new ATOM 593 N GLU A 41 0.813 0.079 -0.279 1.00 0.00 N ATOM 594 CA GLU A 41 1.726 0.982 0.402 1.00 0.00 C ATOM 595 C GLU A 41 1.396 2.445 0.111 1.00 0.00 C ATOM 596 O GLU A 41 1.916 3.027 -0.841 1.00 0.00 O ATOM 597 CB GLU A 41 3.159 0.678 -0.037 1.00 0.00 C ATOM 598 CG GLU A 41 3.414 0.947 -1.512 1.00 0.00 C ATOM 599 CD GLU A 41 4.334 2.131 -1.739 1.00 0.00 C ATOM 600 OE1 GLU A 41 5.382 2.205 -1.065 1.00 0.00 O ATOM 601 OE2 GLU A 41 4.005 2.982 -2.592 1.00 0.00 O ATOM 0 H GLU A 41 0.209 0.525 -0.969 1.00 0.00 H new ATOM 0 HA GLU A 41 1.621 0.826 1.476 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.847 1.279 0.558 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.382 -0.367 0.177 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.851 0.059 -1.969 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.464 1.129 -2.014 1.00 0.00 H new ATOM 608 N LEU A 42 0.540 3.047 0.934 1.00 0.00 N ATOM 609 CA LEU A 42 0.182 4.443 0.735 1.00 0.00 C ATOM 610 C LEU A 42 -0.347 5.092 2.009 1.00 0.00 C ATOM 611 O LEU A 42 -1.261 4.582 2.657 1.00 0.00 O ATOM 612 CB LEU A 42 -0.847 4.573 -0.389 1.00 0.00 C ATOM 613 CG LEU A 42 -2.241 4.037 -0.051 1.00 0.00 C ATOM 614 CD1 LEU A 42 -3.212 5.182 0.194 1.00 0.00 C ATOM 615 CD2 LEU A 42 -2.750 3.132 -1.163 1.00 0.00 C ATOM 0 H LEU A 42 0.090 2.597 1.731 1.00 0.00 H new ATOM 0 HA LEU A 42 1.093 4.972 0.455 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.934 5.625 -0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.474 4.045 -1.267 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.169 3.449 0.864 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.196 4.779 0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.856 5.789 1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.280 5.800 -0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.742 2.761 -0.905 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.805 3.696 -2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.069 2.290 -1.288 1.00 0.00 H new ATOM 627 N GLY A 43 0.250 6.228 2.350 1.00 0.00 N ATOM 628 CA GLY A 43 -0.137 6.969 3.535 1.00 0.00 C ATOM 629 C GLY A 43 0.235 8.438 3.449 1.00 0.00 C ATOM 630 O GLY A 43 -0.069 9.208 4.356 1.00 0.00 O ATOM 0 H GLY A 43 1.008 6.654 1.816 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.213 6.878 3.681 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.342 6.527 4.409 1.00 0.00 H new ATOM 634 N CYS A 44 0.871 8.826 2.344 1.00 0.00 N ATOM 635 CA CYS A 44 1.259 10.210 2.115 1.00 0.00 C ATOM 636 C CYS A 44 2.197 10.763 3.190 1.00 0.00 C ATOM 637 O CYS A 44 1.925 10.672 4.388 1.00 0.00 O ATOM 638 CB CYS A 44 -0.002 11.077 1.987 1.00 0.00 C ATOM 639 SG CYS A 44 -0.613 11.808 3.548 1.00 0.00 S ATOM 0 H CYS A 44 1.129 8.191 1.589 1.00 0.00 H new ATOM 0 HA CYS A 44 1.827 10.240 1.185 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.202 11.884 1.283 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.797 10.470 1.554 1.00 0.00 H new ATOM 644 N ALA A 45 3.294 11.361 2.729 1.00 0.00 N ATOM 645 CA ALA A 45 4.286 11.969 3.609 1.00 0.00 C ATOM 646 C ALA A 45 5.016 13.095 2.883 1.00 0.00 C ATOM 647 O ALA A 45 5.745 12.854 1.922 1.00 0.00 O ATOM 648 CB ALA A 45 5.277 10.934 4.105 1.00 0.00 C ATOM 0 H ALA A 45 3.518 11.437 1.737 1.00 0.00 H new ATOM 0 HA ALA A 45 3.767 12.384 4.473 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.006 11.412 4.759 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.747 10.159 4.658 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.791 10.486 3.255 1.00 0.00 H new ATOM 654 N ALA A 46 4.805 14.324 3.341 1.00 0.00 N ATOM 655 CA ALA A 46 5.431 15.492 2.727 1.00 0.00 C ATOM 656 C ALA A 46 6.955 15.421 2.787 1.00 0.00 C ATOM 657 O ALA A 46 7.584 16.074 3.621 1.00 0.00 O ATOM 658 CB ALA A 46 4.937 16.763 3.400 1.00 0.00 C ATOM 0 H ALA A 46 4.204 14.539 4.137 1.00 0.00 H new ATOM 0 HA ALA A 46 5.146 15.504 1.675 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.410 17.628 2.935 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.855 16.837 3.289 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.192 16.736 4.460 1.00 0.00 H new ATOM 664 N THR A 47 7.544 14.634 1.887 1.00 0.00 N ATOM 665 CA THR A 47 8.998 14.482 1.819 1.00 0.00 C ATOM 666 C THR A 47 9.377 13.308 0.914 1.00 0.00 C ATOM 667 O THR A 47 9.769 13.507 -0.235 1.00 0.00 O ATOM 668 CB THR A 47 9.601 14.303 3.220 1.00 0.00 C ATOM 669 OG1 THR A 47 10.882 13.707 3.146 1.00 0.00 O ATOM 670 CG2 THR A 47 8.751 13.460 4.148 1.00 0.00 C ATOM 0 H THR A 47 7.034 14.089 1.192 1.00 0.00 H new ATOM 0 HA THR A 47 9.411 15.395 1.389 1.00 0.00 H new ATOM 0 HB THR A 47 9.658 15.311 3.632 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.248 13.604 4.049 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.242 13.379 5.118 1.00 0.00 H new ATOM 0 HG22 THR A 47 7.775 13.929 4.274 1.00 0.00 H new ATOM 0 HG23 THR A 47 8.624 12.465 3.721 1.00 0.00 H new ATOM 678 N CYS A 48 9.247 12.085 1.428 1.00 0.00 N ATOM 679 CA CYS A 48 9.565 10.886 0.654 1.00 0.00 C ATOM 680 C CYS A 48 10.913 11.005 -0.055 1.00 0.00 C ATOM 681 O CYS A 48 10.989 10.966 -1.285 1.00 0.00 O ATOM 682 CB CYS A 48 8.451 10.613 -0.354 1.00 0.00 C ATOM 683 SG CYS A 48 7.612 9.022 -0.088 1.00 0.00 S ATOM 0 H CYS A 48 8.924 11.899 2.377 1.00 0.00 H new ATOM 0 HA CYS A 48 9.640 10.048 1.347 1.00 0.00 H new ATOM 0 HB2 CYS A 48 7.716 11.416 -0.299 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.869 10.631 -1.360 1.00 0.00 H new ATOM 688 N PRO A 49 12.004 11.127 0.718 1.00 0.00 N ATOM 689 CA PRO A 49 13.351 11.220 0.188 1.00 0.00 C ATOM 690 C PRO A 49 14.021 9.850 0.155 1.00 0.00 C ATOM 691 O PRO A 49 15.229 9.735 -0.049 1.00 0.00 O ATOM 692 CB PRO A 49 14.033 12.131 1.208 1.00 0.00 C ATOM 693 CG PRO A 49 13.310 11.893 2.504 1.00 0.00 C ATOM 694 CD PRO A 49 12.027 11.154 2.185 1.00 0.00 C ATOM 0 HA PRO A 49 13.395 11.591 -0.836 1.00 0.00 H new ATOM 0 HB2 PRO A 49 15.093 11.893 1.300 1.00 0.00 H new ATOM 0 HB3 PRO A 49 13.966 13.177 0.907 1.00 0.00 H new ATOM 0 HG2 PRO A 49 13.929 11.309 3.186 1.00 0.00 H new ATOM 0 HG3 PRO A 49 13.094 12.839 3.001 1.00 0.00 H new ATOM 0 HD2 PRO A 49 12.028 10.148 2.605 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.156 11.668 2.591 1.00 0.00 H new ATOM 702 N SER A 50 13.212 8.816 0.374 1.00 0.00 N ATOM 703 CA SER A 50 13.687 7.442 0.394 1.00 0.00 C ATOM 704 C SER A 50 14.277 7.029 -0.950 1.00 0.00 C ATOM 705 O SER A 50 13.771 7.404 -2.007 1.00 0.00 O ATOM 706 CB SER A 50 12.531 6.512 0.767 1.00 0.00 C ATOM 707 OG SER A 50 12.943 5.157 0.775 1.00 0.00 O ATOM 0 H SER A 50 12.210 8.911 0.542 1.00 0.00 H new ATOM 0 HA SER A 50 14.481 7.366 1.137 1.00 0.00 H new ATOM 0 HB2 SER A 50 12.146 6.783 1.750 1.00 0.00 H new ATOM 0 HB3 SER A 50 11.714 6.642 0.058 1.00 0.00 H new ATOM 0 HG SER A 50 12.237 4.603 1.169 1.00 0.00 H new ATOM 713 N LYS A 51 15.350 6.245 -0.892 1.00 0.00 N ATOM 714 CA LYS A 51 16.023 5.762 -2.091 1.00 0.00 C ATOM 715 C LYS A 51 16.963 4.612 -1.740 1.00 0.00 C ATOM 716 O LYS A 51 18.154 4.649 -2.052 1.00 0.00 O ATOM 717 CB LYS A 51 16.802 6.895 -2.761 1.00 0.00 C ATOM 718 CG LYS A 51 15.939 7.799 -3.626 1.00 0.00 C ATOM 719 CD LYS A 51 16.718 8.350 -4.811 1.00 0.00 C ATOM 720 CE LYS A 51 16.578 9.861 -4.917 1.00 0.00 C ATOM 721 NZ LYS A 51 15.499 10.253 -5.866 1.00 0.00 N ATOM 0 H LYS A 51 15.774 5.929 -0.019 1.00 0.00 H new ATOM 0 HA LYS A 51 15.269 5.400 -2.790 1.00 0.00 H new ATOM 0 HB2 LYS A 51 17.286 7.497 -1.991 1.00 0.00 H new ATOM 0 HB3 LYS A 51 17.594 6.466 -3.375 1.00 0.00 H new ATOM 0 HG2 LYS A 51 15.074 7.242 -3.986 1.00 0.00 H new ATOM 0 HG3 LYS A 51 15.559 8.624 -3.024 1.00 0.00 H new ATOM 0 HD2 LYS A 51 17.771 8.088 -4.709 1.00 0.00 H new ATOM 0 HD3 LYS A 51 16.361 7.885 -5.730 1.00 0.00 H new ATOM 0 HE2 LYS A 51 16.364 10.276 -3.932 1.00 0.00 H new ATOM 0 HE3 LYS A 51 17.524 10.291 -5.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 15.435 11.290 -5.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 15.716 9.879 -6.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 14.591 9.864 -5.540 1.00 0.00 H new ATOM 735 N LYS A 52 16.417 3.595 -1.081 1.00 0.00 N ATOM 736 CA LYS A 52 17.201 2.432 -0.672 1.00 0.00 C ATOM 737 C LYS A 52 16.764 1.183 -1.436 1.00 0.00 C ATOM 738 O LYS A 52 15.733 1.189 -2.109 1.00 0.00 O ATOM 739 CB LYS A 52 17.071 2.196 0.840 1.00 0.00 C ATOM 740 CG LYS A 52 15.874 2.884 1.484 1.00 0.00 C ATOM 741 CD LYS A 52 16.025 2.964 2.995 1.00 0.00 C ATOM 742 CE LYS A 52 15.647 4.339 3.525 1.00 0.00 C ATOM 743 NZ LYS A 52 16.776 4.984 4.252 1.00 0.00 N ATOM 0 H LYS A 52 15.433 3.552 -0.818 1.00 0.00 H new ATOM 0 HA LYS A 52 18.246 2.634 -0.908 1.00 0.00 H new ATOM 0 HB2 LYS A 52 17.000 1.124 1.023 1.00 0.00 H new ATOM 0 HB3 LYS A 52 17.981 2.544 1.329 1.00 0.00 H new ATOM 0 HG2 LYS A 52 15.766 3.888 1.074 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.963 2.339 1.236 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.396 2.207 3.464 1.00 0.00 H new ATOM 0 HD3 LYS A 52 17.055 2.738 3.270 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.338 4.975 2.696 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.790 4.248 4.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 16.478 5.919 4.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 17.054 4.390 5.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 17.585 5.095 3.608 1.00 0.00 H new ATOM 757 N PRO A 53 17.548 0.090 -1.345 1.00 0.00 N ATOM 758 CA PRO A 53 17.238 -1.170 -2.032 1.00 0.00 C ATOM 759 C PRO A 53 15.852 -1.700 -1.676 1.00 0.00 C ATOM 760 O PRO A 53 15.005 -0.963 -1.175 1.00 0.00 O ATOM 761 CB PRO A 53 18.327 -2.137 -1.539 1.00 0.00 C ATOM 762 CG PRO A 53 18.926 -1.483 -0.341 1.00 0.00 C ATOM 763 CD PRO A 53 18.796 -0.007 -0.571 1.00 0.00 C ATOM 0 HA PRO A 53 17.226 -1.045 -3.115 1.00 0.00 H new ATOM 0 HB2 PRO A 53 17.904 -3.109 -1.285 1.00 0.00 H new ATOM 0 HB3 PRO A 53 19.078 -2.308 -2.310 1.00 0.00 H new ATOM 0 HG2 PRO A 53 18.407 -1.784 0.569 1.00 0.00 H new ATOM 0 HG3 PRO A 53 19.971 -1.769 -0.221 1.00 0.00 H new ATOM 0 HD2 PRO A 53 18.735 0.545 0.367 1.00 0.00 H new ATOM 0 HD3 PRO A 53 19.647 0.394 -1.122 1.00 0.00 H new ATOM 771 N TYR A 54 15.628 -2.985 -1.942 1.00 0.00 N ATOM 772 CA TYR A 54 14.334 -3.618 -1.650 1.00 0.00 C ATOM 773 C TYR A 54 13.949 -3.435 -0.185 1.00 0.00 C ATOM 774 O TYR A 54 14.275 -4.265 0.663 1.00 0.00 O ATOM 775 CB TYR A 54 14.389 -5.110 -1.994 1.00 0.00 C ATOM 776 CG TYR A 54 15.761 -5.536 -2.430 1.00 0.00 C ATOM 777 CD1 TYR A 54 16.732 -5.848 -1.497 1.00 0.00 C ATOM 778 CD2 TYR A 54 16.098 -5.562 -3.772 1.00 0.00 C ATOM 779 CE1 TYR A 54 18.009 -6.184 -1.886 1.00 0.00 C ATOM 780 CE2 TYR A 54 17.370 -5.902 -4.176 1.00 0.00 C ATOM 781 CZ TYR A 54 18.327 -6.211 -3.229 1.00 0.00 C ATOM 782 OH TYR A 54 19.601 -6.546 -3.625 1.00 0.00 O ATOM 0 H TYR A 54 16.319 -3.610 -2.357 1.00 0.00 H new ATOM 0 HA TYR A 54 13.575 -3.134 -2.264 1.00 0.00 H new ATOM 0 HB2 TYR A 54 14.087 -5.694 -1.125 1.00 0.00 H new ATOM 0 HB3 TYR A 54 13.673 -5.326 -2.787 1.00 0.00 H new ATOM 0 HD1 TYR A 54 16.485 -5.828 -0.446 1.00 0.00 H new ATOM 0 HD2 TYR A 54 15.353 -5.312 -4.513 1.00 0.00 H new ATOM 0 HE1 TYR A 54 18.757 -6.425 -1.145 1.00 0.00 H new ATOM 0 HE2 TYR A 54 17.618 -5.927 -5.227 1.00 0.00 H new ATOM 0 HH TYR A 54 19.657 -6.518 -4.603 1.00 0.00 H new ATOM 792 N GLU A 55 13.248 -2.343 0.104 1.00 0.00 N ATOM 793 CA GLU A 55 12.812 -2.054 1.465 1.00 0.00 C ATOM 794 C GLU A 55 11.334 -2.381 1.633 1.00 0.00 C ATOM 795 O GLU A 55 10.974 -3.377 2.262 1.00 0.00 O ATOM 796 CB GLU A 55 13.066 -0.582 1.803 1.00 0.00 C ATOM 797 CG GLU A 55 14.372 -0.345 2.544 1.00 0.00 C ATOM 798 CD GLU A 55 14.247 -0.581 4.036 1.00 0.00 C ATOM 799 OE1 GLU A 55 13.714 -1.641 4.427 1.00 0.00 O ATOM 800 OE2 GLU A 55 14.683 0.295 4.813 1.00 0.00 O ATOM 0 H GLU A 55 12.970 -1.645 -0.586 1.00 0.00 H new ATOM 0 HA GLU A 55 13.387 -2.677 2.150 1.00 0.00 H new ATOM 0 HB2 GLU A 55 13.071 -0.002 0.880 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.241 -0.209 2.410 1.00 0.00 H new ATOM 0 HG2 GLU A 55 15.140 -1.004 2.139 1.00 0.00 H new ATOM 0 HG3 GLU A 55 14.705 0.678 2.368 1.00 0.00 H new ATOM 807 N GLU A 56 10.478 -1.536 1.063 1.00 0.00 N ATOM 808 CA GLU A 56 9.034 -1.735 1.146 1.00 0.00 C ATOM 809 C GLU A 56 8.286 -0.538 0.565 1.00 0.00 C ATOM 810 O GLU A 56 7.234 -0.693 -0.052 1.00 0.00 O ATOM 811 CB GLU A 56 8.605 -1.962 2.599 1.00 0.00 C ATOM 812 CG GLU A 56 8.290 -3.414 2.920 1.00 0.00 C ATOM 813 CD GLU A 56 8.910 -3.870 4.227 1.00 0.00 C ATOM 814 OE1 GLU A 56 8.399 -3.475 5.296 1.00 0.00 O ATOM 815 OE2 GLU A 56 9.906 -4.622 4.180 1.00 0.00 O ATOM 0 H GLU A 56 10.760 -0.707 0.539 1.00 0.00 H new ATOM 0 HA GLU A 56 8.783 -2.620 0.561 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.398 -1.616 3.262 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.726 -1.353 2.809 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.209 -3.545 2.970 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.651 -4.048 2.110 1.00 0.00 H new ATOM 822 N VAL A 57 8.830 0.655 0.776 1.00 0.00 N ATOM 823 CA VAL A 57 8.202 1.875 0.282 1.00 0.00 C ATOM 824 C VAL A 57 8.719 2.262 -1.100 1.00 0.00 C ATOM 825 O VAL A 57 9.919 2.207 -1.369 1.00 0.00 O ATOM 826 CB VAL A 57 8.430 3.056 1.243 1.00 0.00 C ATOM 827 CG1 VAL A 57 7.552 2.920 2.475 1.00 0.00 C ATOM 828 CG2 VAL A 57 9.898 3.157 1.633 1.00 0.00 C ATOM 0 H VAL A 57 9.702 0.804 1.284 1.00 0.00 H new ATOM 0 HA VAL A 57 7.135 1.661 0.216 1.00 0.00 H new ATOM 0 HB VAL A 57 8.153 3.976 0.727 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.728 3.764 3.142 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.504 2.906 2.175 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.793 1.992 2.993 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.037 3.998 2.312 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.207 2.236 2.127 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.502 3.309 0.739 1.00 0.00 H new ATOM 838 N THR A 58 7.796 2.669 -1.967 1.00 0.00 N ATOM 839 CA THR A 58 8.138 3.088 -3.323 1.00 0.00 C ATOM 840 C THR A 58 7.972 4.601 -3.474 1.00 0.00 C ATOM 841 O THR A 58 8.530 5.209 -4.387 1.00 0.00 O ATOM 842 CB THR A 58 7.262 2.362 -4.345 1.00 0.00 C ATOM 843 OG1 THR A 58 5.898 2.695 -4.161 1.00 0.00 O ATOM 844 CG2 THR A 58 7.380 0.855 -4.274 1.00 0.00 C ATOM 0 H THR A 58 6.800 2.718 -1.753 1.00 0.00 H new ATOM 0 HA THR A 58 9.181 2.829 -3.507 1.00 0.00 H new ATOM 0 HB THR A 58 7.622 2.692 -5.319 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.799 3.231 -3.346 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.733 0.404 -5.026 1.00 0.00 H new ATOM 0 HG22 THR A 58 8.413 0.562 -4.461 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.080 0.513 -3.284 1.00 0.00 H new ATOM 852 N CYS A 59 7.200 5.195 -2.566 1.00 0.00 N ATOM 853 CA CYS A 59 6.946 6.632 -2.569 1.00 0.00 C ATOM 854 C CYS A 59 6.080 7.054 -3.754 1.00 0.00 C ATOM 855 O CYS A 59 6.549 7.140 -4.888 1.00 0.00 O ATOM 856 CB CYS A 59 8.260 7.416 -2.549 1.00 0.00 C ATOM 857 SG CYS A 59 8.912 7.683 -0.873 1.00 0.00 S ATOM 0 H CYS A 59 6.734 4.694 -1.809 1.00 0.00 H new ATOM 0 HA CYS A 59 6.390 6.866 -1.661 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.003 6.881 -3.140 1.00 0.00 H new ATOM 0 HB3 CYS A 59 8.106 8.382 -3.030 1.00 0.00 H new ATOM 862 N CYS A 60 4.808 7.318 -3.462 1.00 0.00 N ATOM 863 CA CYS A 60 3.841 7.738 -4.471 1.00 0.00 C ATOM 864 C CYS A 60 4.084 9.192 -4.881 1.00 0.00 C ATOM 865 O CYS A 60 5.171 9.726 -4.663 1.00 0.00 O ATOM 866 CB CYS A 60 2.424 7.572 -3.910 1.00 0.00 C ATOM 867 SG CYS A 60 1.330 6.518 -4.921 1.00 0.00 S ATOM 0 H CYS A 60 4.420 7.247 -2.521 1.00 0.00 H new ATOM 0 HA CYS A 60 3.957 7.115 -5.358 1.00 0.00 H new ATOM 0 HB2 CYS A 60 2.491 7.149 -2.908 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.968 8.557 -3.810 1.00 0.00 H new ATOM 872 N SER A 61 3.070 9.831 -5.470 1.00 0.00 N ATOM 873 CA SER A 61 3.187 11.229 -5.895 1.00 0.00 C ATOM 874 C SER A 61 2.028 11.641 -6.799 1.00 0.00 C ATOM 875 O SER A 61 1.626 10.896 -7.692 1.00 0.00 O ATOM 876 CB SER A 61 4.524 11.472 -6.610 1.00 0.00 C ATOM 877 OG SER A 61 4.335 12.069 -7.883 1.00 0.00 O ATOM 0 H SER A 61 2.163 9.406 -5.663 1.00 0.00 H new ATOM 0 HA SER A 61 3.150 11.844 -4.996 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.154 12.115 -5.996 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.052 10.526 -6.726 1.00 0.00 H new ATOM 0 HG SER A 61 4.919 12.852 -7.967 1.00 0.00 H new ATOM 883 N THR A 62 1.512 12.849 -6.557 1.00 0.00 N ATOM 884 CA THR A 62 0.405 13.416 -7.334 1.00 0.00 C ATOM 885 C THR A 62 -0.602 12.345 -7.773 1.00 0.00 C ATOM 886 O THR A 62 -1.548 12.043 -7.047 1.00 0.00 O ATOM 887 CB THR A 62 0.944 14.192 -8.547 1.00 0.00 C ATOM 888 OG1 THR A 62 -0.008 14.219 -9.597 1.00 0.00 O ATOM 889 CG2 THR A 62 2.233 13.630 -9.111 1.00 0.00 C ATOM 0 H THR A 62 1.850 13.463 -5.816 1.00 0.00 H new ATOM 0 HA THR A 62 -0.131 14.108 -6.684 1.00 0.00 H new ATOM 0 HB THR A 62 1.144 15.194 -8.168 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.357 14.719 -10.357 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.550 14.231 -9.964 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.007 13.653 -8.343 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.071 12.601 -9.432 1.00 0.00 H new ATOM 897 N ASP A 63 -0.399 11.780 -8.963 1.00 0.00 N ATOM 898 CA ASP A 63 -1.297 10.756 -9.483 1.00 0.00 C ATOM 899 C ASP A 63 -1.425 9.590 -8.513 1.00 0.00 C ATOM 900 O ASP A 63 -0.427 8.997 -8.104 1.00 0.00 O ATOM 901 CB ASP A 63 -0.798 10.253 -10.840 1.00 0.00 C ATOM 902 CG ASP A 63 0.579 9.626 -10.754 1.00 0.00 C ATOM 903 OD1 ASP A 63 1.559 10.372 -10.550 1.00 0.00 O ATOM 904 OD2 ASP A 63 0.677 8.388 -10.890 1.00 0.00 O ATOM 0 H ASP A 63 0.377 12.015 -9.581 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.282 11.206 -9.606 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.503 9.521 -11.235 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.772 11.084 -11.545 1.00 0.00 H new ATOM 909 N LYS A 64 -2.663 9.266 -8.150 1.00 0.00 N ATOM 910 CA LYS A 64 -2.931 8.167 -7.230 1.00 0.00 C ATOM 911 C LYS A 64 -2.327 6.870 -7.752 1.00 0.00 C ATOM 912 O LYS A 64 -2.990 6.096 -8.444 1.00 0.00 O ATOM 913 CB LYS A 64 -4.438 7.997 -7.030 1.00 0.00 C ATOM 914 CG LYS A 64 -5.221 7.934 -8.332 1.00 0.00 C ATOM 915 CD LYS A 64 -6.483 8.778 -8.267 1.00 0.00 C ATOM 916 CE LYS A 64 -7.122 8.931 -9.639 1.00 0.00 C ATOM 917 NZ LYS A 64 -7.591 7.625 -10.180 1.00 0.00 N ATOM 0 H LYS A 64 -3.497 9.751 -8.480 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.471 8.405 -6.271 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.620 7.085 -6.462 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.812 8.827 -6.430 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.593 8.281 -9.152 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -5.485 6.899 -8.549 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -7.195 8.318 -7.582 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.244 9.762 -7.864 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.964 9.620 -9.573 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.402 9.372 -10.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.051 7.776 -11.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.779 6.987 -10.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.272 7.200 -9.519 1.00 0.00 H new ATOM 931 N CYS A 65 -1.061 6.643 -7.422 1.00 0.00 N ATOM 932 CA CYS A 65 -0.361 5.438 -7.866 1.00 0.00 C ATOM 933 C CYS A 65 -0.772 4.222 -7.040 1.00 0.00 C ATOM 934 O CYS A 65 0.064 3.567 -6.418 1.00 0.00 O ATOM 935 CB CYS A 65 1.170 5.609 -7.818 1.00 0.00 C ATOM 936 SG CYS A 65 1.780 7.023 -6.835 1.00 0.00 S ATOM 0 H CYS A 65 -0.498 7.273 -6.851 1.00 0.00 H new ATOM 0 HA CYS A 65 -0.652 5.274 -8.904 1.00 0.00 H new ATOM 0 HB2 CYS A 65 1.607 4.695 -7.415 1.00 0.00 H new ATOM 0 HB3 CYS A 65 1.537 5.715 -8.839 1.00 0.00 H new ATOM 941 N ASN A 66 -2.064 3.916 -7.049 1.00 0.00 N ATOM 942 CA ASN A 66 -2.576 2.770 -6.314 1.00 0.00 C ATOM 943 C ASN A 66 -4.011 2.451 -6.738 1.00 0.00 C ATOM 944 O ASN A 66 -4.916 2.402 -5.905 1.00 0.00 O ATOM 945 CB ASN A 66 -2.513 3.021 -4.800 1.00 0.00 C ATOM 946 CG ASN A 66 -2.760 4.473 -4.428 1.00 0.00 C ATOM 947 OD1 ASN A 66 -2.140 5.383 -4.977 1.00 0.00 O ATOM 948 ND2 ASN A 66 -3.667 4.695 -3.484 1.00 0.00 N ATOM 0 H ASN A 66 -2.773 4.445 -7.556 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.946 1.912 -6.549 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.252 2.393 -4.302 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -1.535 2.718 -4.427 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -3.872 5.649 -3.188 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -4.158 3.911 -3.055 1.00 0.00 H new ATOM 955 N PRO A 67 -4.241 2.228 -8.048 1.00 0.00 N ATOM 956 CA PRO A 67 -5.576 1.918 -8.573 1.00 0.00 C ATOM 957 C PRO A 67 -6.139 0.621 -8.001 1.00 0.00 C ATOM 958 O PRO A 67 -7.136 0.630 -7.278 1.00 0.00 O ATOM 959 CB PRO A 67 -5.358 1.780 -10.086 1.00 0.00 C ATOM 960 CG PRO A 67 -4.052 2.444 -10.358 1.00 0.00 C ATOM 961 CD PRO A 67 -3.228 2.261 -9.117 1.00 0.00 C ATOM 0 HA PRO A 67 -6.298 2.689 -8.305 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.337 0.732 -10.386 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.165 2.255 -10.644 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -3.560 1.998 -11.222 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -4.191 3.502 -10.581 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -2.647 1.339 -9.151 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -2.521 3.079 -8.978 1.00 0.00 H new ATOM 969 N HIS A 68 -5.497 -0.494 -8.332 1.00 0.00 N ATOM 970 CA HIS A 68 -5.937 -1.801 -7.853 1.00 0.00 C ATOM 971 C HIS A 68 -4.936 -2.376 -6.852 1.00 0.00 C ATOM 972 O HIS A 68 -3.772 -1.978 -6.831 1.00 0.00 O ATOM 973 CB HIS A 68 -6.128 -2.776 -9.025 1.00 0.00 C ATOM 974 CG HIS A 68 -5.538 -2.303 -10.319 1.00 0.00 C ATOM 975 ND1 HIS A 68 -6.130 -1.340 -11.109 1.00 0.00 N ATOM 976 CD2 HIS A 68 -4.401 -2.665 -10.960 1.00 0.00 C ATOM 977 CE1 HIS A 68 -5.384 -1.130 -12.179 1.00 0.00 C ATOM 978 NE2 HIS A 68 -4.329 -1.921 -12.111 1.00 0.00 N ATOM 0 H HIS A 68 -4.671 -0.520 -8.930 1.00 0.00 H new ATOM 0 HA HIS A 68 -6.895 -1.668 -7.351 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.680 -3.734 -8.763 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -7.194 -2.951 -9.167 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.685 -3.402 -10.627 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -5.600 -0.431 -12.973 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -3.581 -1.971 -12.803 1.00 0.00 H new ATOM 987 N PRO A 69 -5.380 -3.319 -6.001 1.00 0.00 N ATOM 988 CA PRO A 69 -4.521 -3.940 -4.994 1.00 0.00 C ATOM 989 C PRO A 69 -3.488 -4.881 -5.613 1.00 0.00 C ATOM 990 O PRO A 69 -2.306 -4.548 -5.694 1.00 0.00 O ATOM 991 CB PRO A 69 -5.498 -4.718 -4.093 1.00 0.00 C ATOM 992 CG PRO A 69 -6.868 -4.300 -4.521 1.00 0.00 C ATOM 993 CD PRO A 69 -6.747 -3.849 -5.947 1.00 0.00 C ATOM 0 HA PRO A 69 -3.938 -3.196 -4.451 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -5.364 -5.794 -4.208 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -5.329 -4.486 -3.041 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -7.572 -5.128 -4.434 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -7.243 -3.495 -3.889 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -6.890 -4.673 -6.646 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -7.487 -3.088 -6.196 1.00 0.00 H new ATOM 1001 N LYS A 70 -3.936 -6.057 -6.050 1.00 0.00 N ATOM 1002 CA LYS A 70 -3.040 -7.039 -6.660 1.00 0.00 C ATOM 1003 C LYS A 70 -3.786 -8.330 -7.019 1.00 0.00 C ATOM 1004 O LYS A 70 -4.485 -8.380 -8.031 1.00 0.00 O ATOM 1005 CB LYS A 70 -1.845 -7.342 -5.742 1.00 0.00 C ATOM 1006 CG LYS A 70 -2.101 -7.132 -4.251 1.00 0.00 C ATOM 1007 CD LYS A 70 -3.442 -7.698 -3.785 1.00 0.00 C ATOM 1008 CE LYS A 70 -3.906 -7.084 -2.465 1.00 0.00 C ATOM 1009 NZ LYS A 70 -3.198 -5.813 -2.134 1.00 0.00 N ATOM 0 H LYS A 70 -4.911 -6.353 -5.994 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.659 -6.604 -7.584 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.539 -8.376 -5.900 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.007 -6.713 -6.043 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.298 -7.601 -3.682 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.068 -6.065 -4.030 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.196 -7.517 -4.551 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.357 -8.779 -3.670 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.978 -6.894 -2.516 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.747 -7.802 -1.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.600 -5.408 -1.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.186 -6.007 -1.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.313 -5.138 -2.916 1.00 0.00 H new ATOM 1023 N GLN A 71 -3.632 -9.378 -6.203 1.00 0.00 N ATOM 1024 CA GLN A 71 -4.295 -10.650 -6.469 1.00 0.00 C ATOM 1025 C GLN A 71 -5.810 -10.524 -6.326 1.00 0.00 C ATOM 1026 O GLN A 71 -6.359 -10.735 -5.245 1.00 0.00 O ATOM 1027 CB GLN A 71 -3.772 -11.730 -5.520 1.00 0.00 C ATOM 1028 CG GLN A 71 -3.974 -13.144 -6.039 1.00 0.00 C ATOM 1029 CD GLN A 71 -3.360 -13.356 -7.409 1.00 0.00 C ATOM 1030 OE1 GLN A 71 -2.142 -13.286 -7.574 1.00 0.00 O ATOM 1031 NE2 GLN A 71 -4.203 -13.617 -8.401 1.00 0.00 N ATOM 0 H GLN A 71 -3.058 -9.367 -5.360 1.00 0.00 H new ATOM 0 HA GLN A 71 -4.070 -10.935 -7.497 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.709 -11.564 -5.345 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -4.273 -11.630 -4.557 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -3.536 -13.851 -5.335 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -5.041 -13.361 -6.086 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -5.205 -13.666 -8.219 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.848 -13.769 -9.345 1.00 0.00 H new ATOM 1040 N ARG A 72 -6.478 -10.182 -7.424 1.00 0.00 N ATOM 1041 CA ARG A 72 -7.929 -10.034 -7.420 1.00 0.00 C ATOM 1042 C ARG A 72 -8.483 -10.065 -8.843 1.00 0.00 C ATOM 1043 O ARG A 72 -9.126 -9.117 -9.292 1.00 0.00 O ATOM 1044 CB ARG A 72 -8.333 -8.730 -6.723 1.00 0.00 C ATOM 1045 CG ARG A 72 -7.438 -7.547 -7.062 1.00 0.00 C ATOM 1046 CD ARG A 72 -7.854 -6.885 -8.365 1.00 0.00 C ATOM 1047 NE ARG A 72 -7.111 -7.408 -9.511 1.00 0.00 N ATOM 1048 CZ ARG A 72 -5.918 -6.954 -9.892 1.00 0.00 C ATOM 1049 NH1 ARG A 72 -5.305 -6.008 -9.191 1.00 0.00 N ATOM 1050 NH2 ARG A 72 -5.331 -7.459 -10.968 1.00 0.00 N ATOM 0 H ARG A 72 -6.038 -10.002 -8.326 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.353 -10.873 -6.868 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.360 -8.486 -6.996 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.319 -8.886 -5.644 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.478 -6.817 -6.254 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.404 -7.883 -7.138 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.921 -7.039 -8.525 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -7.695 -5.809 -8.291 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.531 -8.165 -10.050 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.747 -5.625 -8.356 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -4.392 -5.664 -9.488 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -5.793 -8.194 -11.503 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.418 -7.112 -11.261 1.00 0.00 H new ATOM 1064 N PRO A 73 -8.241 -11.167 -9.576 1.00 0.00 N ATOM 1065 CA PRO A 73 -8.720 -11.318 -10.955 1.00 0.00 C ATOM 1066 C PRO A 73 -10.242 -11.326 -11.038 1.00 0.00 C ATOM 1067 O PRO A 73 -10.820 -10.950 -12.057 1.00 0.00 O ATOM 1068 CB PRO A 73 -8.152 -12.674 -11.391 1.00 0.00 C ATOM 1069 CG PRO A 73 -7.869 -13.400 -10.122 1.00 0.00 C ATOM 1070 CD PRO A 73 -7.487 -12.347 -9.121 1.00 0.00 C ATOM 0 HA PRO A 73 -8.402 -10.489 -11.588 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -8.865 -13.221 -12.008 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.247 -12.550 -11.985 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.744 -13.958 -9.788 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.063 -14.122 -10.256 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.763 -12.636 -8.107 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.413 -12.163 -9.119 1.00 0.00 H new ATOM 1078 N GLY A 74 -10.885 -11.756 -9.958 1.00 0.00 N ATOM 1079 CA GLY A 74 -12.335 -11.805 -9.928 1.00 0.00 C ATOM 1080 C GLY A 74 -12.879 -11.989 -8.526 1.00 0.00 C ATOM 1081 O GLY A 74 -12.727 -13.099 -7.971 1.00 0.00 O ATOM 1082 OXT GLY A 74 -13.456 -11.025 -7.981 1.00 0.00 O ATOM 0 H GLY A 74 -10.428 -12.072 -9.103 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.736 -10.884 -10.352 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.681 -12.624 -10.559 1.00 0.00 H new TER 1086 GLY A 74 ATOM 1087 N TYR B 181 -5.617 -17.227 28.083 1.00 0.00 N ATOM 1088 CA TYR B 181 -4.856 -17.512 26.839 1.00 0.00 C ATOM 1089 C TYR B 181 -5.785 -17.958 25.714 1.00 0.00 C ATOM 1090 O TYR B 181 -7.007 -17.923 25.856 1.00 0.00 O ATOM 1091 CB TYR B 181 -3.821 -18.601 27.137 1.00 0.00 C ATOM 1092 CG TYR B 181 -4.354 -19.739 27.981 1.00 0.00 C ATOM 1093 CD1 TYR B 181 -5.410 -20.524 27.535 1.00 0.00 C ATOM 1094 CD2 TYR B 181 -3.799 -20.028 29.221 1.00 0.00 C ATOM 1095 CE1 TYR B 181 -5.899 -21.564 28.303 1.00 0.00 C ATOM 1096 CE2 TYR B 181 -4.281 -21.067 29.993 1.00 0.00 C ATOM 1097 CZ TYR B 181 -5.331 -21.832 29.530 1.00 0.00 C ATOM 1098 OH TYR B 181 -5.814 -22.866 30.297 1.00 0.00 O ATOM 0 HA TYR B 181 -4.356 -16.601 26.509 1.00 0.00 H new ATOM 0 HB2 TYR B 181 -3.450 -19.004 26.194 1.00 0.00 H new ATOM 0 HB3 TYR B 181 -2.970 -18.150 27.648 1.00 0.00 H new ATOM 0 HD1 TYR B 181 -5.856 -20.318 26.573 1.00 0.00 H new ATOM 0 HD2 TYR B 181 -2.977 -19.431 29.587 1.00 0.00 H new ATOM 0 HE1 TYR B 181 -6.722 -22.164 27.943 1.00 0.00 H new ATOM 0 HE2 TYR B 181 -3.838 -21.279 30.955 1.00 0.00 H new ATOM 0 HH TYR B 181 -5.303 -22.921 31.131 1.00 0.00 H new ATOM 1110 N ARG B 182 -5.200 -18.372 24.592 1.00 0.00 N ATOM 1111 CA ARG B 182 -5.975 -18.821 23.439 1.00 0.00 C ATOM 1112 C ARG B 182 -6.666 -17.641 22.760 1.00 0.00 C ATOM 1113 O ARG B 182 -7.763 -17.779 22.219 1.00 0.00 O ATOM 1114 CB ARG B 182 -7.015 -19.862 23.862 1.00 0.00 C ATOM 1115 CG ARG B 182 -7.219 -20.970 22.841 1.00 0.00 C ATOM 1116 CD ARG B 182 -8.319 -21.930 23.269 1.00 0.00 C ATOM 1117 NE ARG B 182 -9.483 -21.855 22.391 1.00 0.00 N ATOM 1118 CZ ARG B 182 -9.480 -22.253 21.120 1.00 0.00 C ATOM 1119 NH1 ARG B 182 -8.378 -22.751 20.575 1.00 0.00 N ATOM 1120 NH2 ARG B 182 -10.584 -22.152 20.392 1.00 0.00 N ATOM 0 H ARG B 182 -4.189 -18.406 24.457 1.00 0.00 H new ATOM 0 HA ARG B 182 -5.287 -19.279 22.728 1.00 0.00 H new ATOM 0 HB2 ARG B 182 -6.709 -20.305 24.810 1.00 0.00 H new ATOM 0 HB3 ARG B 182 -7.967 -19.361 24.037 1.00 0.00 H new ATOM 0 HG2 ARG B 182 -7.472 -20.533 21.875 1.00 0.00 H new ATOM 0 HG3 ARG B 182 -6.287 -21.519 22.708 1.00 0.00 H new ATOM 0 HD2 ARG B 182 -7.931 -22.949 23.270 1.00 0.00 H new ATOM 0 HD3 ARG B 182 -8.621 -21.703 24.291 1.00 0.00 H new ATOM 0 HE ARG B 182 -10.349 -21.476 22.773 1.00 0.00 H new ATOM 0 HH11 ARG B 182 -7.526 -22.831 21.130 1.00 0.00 H new ATOM 0 HH12 ARG B 182 -8.383 -23.054 19.601 1.00 0.00 H new ATOM 0 HH21 ARG B 182 -11.434 -21.770 20.806 1.00 0.00 H new ATOM 0 HH22 ARG B 182 -10.583 -22.457 19.419 1.00 0.00 H new ATOM 1134 N GLY B 183 -6.015 -16.483 22.795 1.00 0.00 N ATOM 1135 CA GLY B 183 -6.579 -15.294 22.182 1.00 0.00 C ATOM 1136 C GLY B 183 -5.862 -14.895 20.905 1.00 0.00 C ATOM 1137 O GLY B 183 -6.375 -14.092 20.125 1.00 0.00 O ATOM 0 H GLY B 183 -5.106 -16.346 23.237 1.00 0.00 H new ATOM 0 HA2 GLY B 183 -7.632 -15.469 21.963 1.00 0.00 H new ATOM 0 HA3 GLY B 183 -6.534 -14.468 22.892 1.00 0.00 H new ATOM 1141 N TRP B 184 -4.672 -15.450 20.690 1.00 0.00 N ATOM 1142 CA TRP B 184 -3.889 -15.143 19.498 1.00 0.00 C ATOM 1143 C TRP B 184 -4.685 -15.433 18.230 1.00 0.00 C ATOM 1144 O TRP B 184 -5.610 -16.247 18.238 1.00 0.00 O ATOM 1145 CB TRP B 184 -2.589 -15.953 19.497 1.00 0.00 C ATOM 1146 CG TRP B 184 -1.357 -15.102 19.531 1.00 0.00 C ATOM 1147 CD1 TRP B 184 -0.743 -14.594 20.639 1.00 0.00 C ATOM 1148 CD2 TRP B 184 -0.590 -14.658 18.406 1.00 0.00 C ATOM 1149 NE1 TRP B 184 0.360 -13.862 20.273 1.00 0.00 N ATOM 1150 CE2 TRP B 184 0.475 -13.886 18.907 1.00 0.00 C ATOM 1151 CE3 TRP B 184 -0.699 -14.840 17.025 1.00 0.00 C ATOM 1152 CZ2 TRP B 184 1.423 -13.297 18.075 1.00 0.00 C ATOM 1153 CZ3 TRP B 184 0.242 -14.254 16.200 1.00 0.00 C ATOM 1154 CH2 TRP B 184 1.291 -13.491 16.727 1.00 0.00 C ATOM 0 H TRP B 184 -4.230 -16.114 21.326 1.00 0.00 H new ATOM 0 HA TRP B 184 -3.649 -14.080 19.515 1.00 0.00 H new ATOM 0 HB2 TRP B 184 -2.585 -16.620 20.359 1.00 0.00 H new ATOM 0 HB3 TRP B 184 -2.562 -16.582 18.607 1.00 0.00 H new ATOM 0 HD1 TRP B 184 -1.076 -14.745 21.655 1.00 0.00 H new ATOM 0 HE1 TRP B 184 0.991 -13.379 20.913 1.00 0.00 H new ATOM 0 HE3 TRP B 184 -1.504 -15.428 16.610 1.00 0.00 H new ATOM 0 HZ2 TRP B 184 2.233 -12.708 18.479 1.00 0.00 H new ATOM 0 HZ3 TRP B 184 0.167 -14.387 15.131 1.00 0.00 H new ATOM 0 HH2 TRP B 184 2.011 -13.046 16.056 1.00 0.00 H new ATOM 1165 N LYS B 185 -4.320 -14.766 17.140 1.00 0.00 N ATOM 1166 CA LYS B 185 -5.000 -14.958 15.865 1.00 0.00 C ATOM 1167 C LYS B 185 -4.026 -14.807 14.698 1.00 0.00 C ATOM 1168 O LYS B 185 -2.810 -14.820 14.887 1.00 0.00 O ATOM 1169 CB LYS B 185 -6.161 -13.967 15.724 1.00 0.00 C ATOM 1170 CG LYS B 185 -5.723 -12.531 15.480 1.00 0.00 C ATOM 1171 CD LYS B 185 -6.868 -11.556 15.712 1.00 0.00 C ATOM 1172 CE LYS B 185 -7.772 -11.454 14.491 1.00 0.00 C ATOM 1173 NZ LYS B 185 -9.195 -11.732 14.829 1.00 0.00 N ATOM 0 H LYS B 185 -3.558 -14.089 17.114 1.00 0.00 H new ATOM 0 HA LYS B 185 -5.401 -15.971 15.843 1.00 0.00 H new ATOM 0 HB2 LYS B 185 -6.799 -14.286 14.900 1.00 0.00 H new ATOM 0 HB3 LYS B 185 -6.767 -14.002 16.629 1.00 0.00 H new ATOM 0 HG2 LYS B 185 -4.893 -12.284 16.142 1.00 0.00 H new ATOM 0 HG3 LYS B 185 -5.357 -12.429 14.458 1.00 0.00 H new ATOM 0 HD2 LYS B 185 -7.453 -11.879 16.573 1.00 0.00 H new ATOM 0 HD3 LYS B 185 -6.466 -10.572 15.951 1.00 0.00 H new ATOM 0 HE2 LYS B 185 -7.689 -10.456 14.061 1.00 0.00 H new ATOM 0 HE3 LYS B 185 -7.435 -12.158 13.730 1.00 0.00 H new ATOM 0 HZ1 LYS B 185 -9.778 -11.652 13.971 1.00 0.00 H new ATOM 0 HZ2 LYS B 185 -9.278 -12.694 15.216 1.00 0.00 H new ATOM 0 HZ3 LYS B 185 -9.525 -11.044 15.536 1.00 0.00 H new ATOM 1187 N HIS B 186 -4.570 -14.670 13.493 1.00 0.00 N ATOM 1188 CA HIS B 186 -3.752 -14.523 12.296 1.00 0.00 C ATOM 1189 C HIS B 186 -4.357 -13.495 11.345 1.00 0.00 C ATOM 1190 O HIS B 186 -5.116 -13.844 10.442 1.00 0.00 O ATOM 1191 CB HIS B 186 -3.611 -15.872 11.588 1.00 0.00 C ATOM 1192 CG HIS B 186 -2.801 -15.812 10.328 1.00 0.00 C ATOM 1193 ND1 HIS B 186 -1.806 -14.882 10.114 1.00 0.00 N ATOM 1194 CD2 HIS B 186 -2.844 -16.580 9.213 1.00 0.00 C ATOM 1195 CE1 HIS B 186 -1.272 -15.078 8.921 1.00 0.00 C ATOM 1196 NE2 HIS B 186 -1.884 -16.102 8.355 1.00 0.00 N ATOM 0 H HIS B 186 -5.575 -14.658 13.320 1.00 0.00 H new ATOM 0 HA HIS B 186 -2.765 -14.171 12.598 1.00 0.00 H new ATOM 0 HB2 HIS B 186 -3.150 -16.584 12.272 1.00 0.00 H new ATOM 0 HB3 HIS B 186 -4.604 -16.254 11.352 1.00 0.00 H new ATOM 0 HD2 HIS B 186 -3.508 -17.412 9.033 1.00 0.00 H new ATOM 0 HE1 HIS B 186 -0.472 -14.499 8.484 1.00 0.00 H new ATOM 0 HE2 HIS B 186 -1.677 -16.478 7.430 1.00 0.00 H new ATOM 1205 N TRP B 187 -4.018 -12.228 11.557 1.00 0.00 N ATOM 1206 CA TRP B 187 -4.530 -11.152 10.718 1.00 0.00 C ATOM 1207 C TRP B 187 -3.840 -11.141 9.361 1.00 0.00 C ATOM 1208 O TRP B 187 -2.776 -11.737 9.184 1.00 0.00 O ATOM 1209 CB TRP B 187 -4.338 -9.801 11.404 1.00 0.00 C ATOM 1210 CG TRP B 187 -2.899 -9.452 11.641 1.00 0.00 C ATOM 1211 CD1 TRP B 187 -2.083 -8.736 10.811 1.00 0.00 C ATOM 1212 CD2 TRP B 187 -2.104 -9.803 12.780 1.00 0.00 C ATOM 1213 NE1 TRP B 187 -0.831 -8.620 11.366 1.00 0.00 N ATOM 1214 CE2 TRP B 187 -0.819 -9.267 12.574 1.00 0.00 C ATOM 1215 CE3 TRP B 187 -2.355 -10.518 13.954 1.00 0.00 C ATOM 1216 CZ2 TRP B 187 0.211 -9.424 13.499 1.00 0.00 C ATOM 1217 CZ3 TRP B 187 -1.332 -10.673 14.872 1.00 0.00 C ATOM 1218 CH2 TRP B 187 -0.062 -10.128 14.638 1.00 0.00 C ATOM 0 H TRP B 187 -3.392 -11.922 12.302 1.00 0.00 H new ATOM 0 HA TRP B 187 -5.595 -11.328 10.565 1.00 0.00 H new ATOM 0 HB2 TRP B 187 -4.797 -9.023 10.793 1.00 0.00 H new ATOM 0 HB3 TRP B 187 -4.864 -9.809 12.359 1.00 0.00 H new ATOM 0 HD1 TRP B 187 -2.379 -8.322 9.858 1.00 0.00 H new ATOM 0 HE1 TRP B 187 -0.040 -8.132 10.947 1.00 0.00 H new ATOM 0 HE3 TRP B 187 -3.330 -10.942 14.141 1.00 0.00 H new ATOM 0 HZ2 TRP B 187 1.190 -9.004 13.322 1.00 0.00 H new ATOM 0 HZ3 TRP B 187 -1.515 -11.223 15.784 1.00 0.00 H new ATOM 0 HH2 TRP B 187 0.717 -10.267 15.373 1.00 0.00 H new ATOM 1229 N VAL B 188 -4.458 -10.460 8.405 1.00 0.00 N ATOM 1230 CA VAL B 188 -3.922 -10.362 7.059 1.00 0.00 C ATOM 1231 C VAL B 188 -3.163 -9.052 6.869 1.00 0.00 C ATOM 1232 O VAL B 188 -3.351 -8.102 7.627 1.00 0.00 O ATOM 1233 CB VAL B 188 -5.050 -10.446 6.011 1.00 0.00 C ATOM 1234 CG1 VAL B 188 -4.659 -11.389 4.888 1.00 0.00 C ATOM 1235 CG2 VAL B 188 -6.362 -10.886 6.652 1.00 0.00 C ATOM 0 H VAL B 188 -5.339 -9.964 8.542 1.00 0.00 H new ATOM 0 HA VAL B 188 -3.237 -11.198 6.920 1.00 0.00 H new ATOM 0 HB VAL B 188 -5.200 -9.451 5.592 1.00 0.00 H new ATOM 0 HG11 VAL B 188 -5.465 -11.438 4.156 1.00 0.00 H new ATOM 0 HG12 VAL B 188 -3.753 -11.024 4.405 1.00 0.00 H new ATOM 0 HG13 VAL B 188 -4.478 -12.384 5.295 1.00 0.00 H new ATOM 0 HG21 VAL B 188 -7.140 -10.937 5.890 1.00 0.00 H new ATOM 0 HG22 VAL B 188 -6.234 -11.869 7.106 1.00 0.00 H new ATOM 0 HG23 VAL B 188 -6.651 -10.167 7.419 1.00 0.00 H new ATOM 1245 N TYR B 189 -2.312 -9.003 5.848 1.00 0.00 N ATOM 1246 CA TYR B 189 -1.541 -7.809 5.557 1.00 0.00 C ATOM 1247 C TYR B 189 -1.998 -7.184 4.242 1.00 0.00 C ATOM 1248 O TYR B 189 -1.577 -6.086 3.892 1.00 0.00 O ATOM 1249 CB TYR B 189 -0.052 -8.149 5.483 1.00 0.00 C ATOM 1250 CG TYR B 189 0.614 -8.269 6.834 1.00 0.00 C ATOM 1251 CD1 TYR B 189 0.227 -9.253 7.737 1.00 0.00 C ATOM 1252 CD2 TYR B 189 1.632 -7.401 7.206 1.00 0.00 C ATOM 1253 CE1 TYR B 189 0.835 -9.364 8.973 1.00 0.00 C ATOM 1254 CE2 TYR B 189 2.245 -7.507 8.439 1.00 0.00 C ATOM 1255 CZ TYR B 189 1.844 -8.490 9.319 1.00 0.00 C ATOM 1256 OH TYR B 189 2.452 -8.598 10.547 1.00 0.00 O ATOM 0 H TYR B 189 -2.142 -9.781 5.210 1.00 0.00 H new ATOM 0 HA TYR B 189 -1.703 -7.090 6.360 1.00 0.00 H new ATOM 0 HB2 TYR B 189 0.070 -9.088 4.943 1.00 0.00 H new ATOM 0 HB3 TYR B 189 0.458 -7.380 4.904 1.00 0.00 H new ATOM 0 HD1 TYR B 189 -0.561 -9.941 7.468 1.00 0.00 H new ATOM 0 HD2 TYR B 189 1.950 -6.630 6.520 1.00 0.00 H new ATOM 0 HE1 TYR B 189 0.521 -10.132 9.665 1.00 0.00 H new ATOM 0 HE2 TYR B 189 3.035 -6.823 8.713 1.00 0.00 H new ATOM 0 HH TYR B 189 3.142 -7.907 10.632 1.00 0.00 H new ATOM 1266 N TYR B 190 -2.862 -7.892 3.515 1.00 0.00 N ATOM 1267 CA TYR B 190 -3.365 -7.402 2.236 1.00 0.00 C ATOM 1268 C TYR B 190 -4.476 -6.379 2.450 1.00 0.00 C ATOM 1269 O TYR B 190 -5.283 -6.507 3.370 1.00 0.00 O ATOM 1270 CB TYR B 190 -3.889 -8.557 1.369 1.00 0.00 C ATOM 1271 CG TYR B 190 -3.340 -9.920 1.739 1.00 0.00 C ATOM 1272 CD1 TYR B 190 -1.986 -10.103 1.992 1.00 0.00 C ATOM 1273 CD2 TYR B 190 -4.179 -11.024 1.838 1.00 0.00 C ATOM 1274 CE1 TYR B 190 -1.484 -11.345 2.331 1.00 0.00 C ATOM 1275 CE2 TYR B 190 -3.685 -12.269 2.176 1.00 0.00 C ATOM 1276 CZ TYR B 190 -2.337 -12.424 2.422 1.00 0.00 C ATOM 1277 OH TYR B 190 -1.840 -13.663 2.760 1.00 0.00 O ATOM 0 H TYR B 190 -3.226 -8.804 3.791 1.00 0.00 H new ATOM 0 HA TYR B 190 -2.534 -6.924 1.717 1.00 0.00 H new ATOM 0 HB2 TYR B 190 -4.976 -8.585 1.442 1.00 0.00 H new ATOM 0 HB3 TYR B 190 -3.645 -8.352 0.327 1.00 0.00 H new ATOM 0 HD1 TYR B 190 -1.314 -9.260 1.922 1.00 0.00 H new ATOM 0 HD2 TYR B 190 -5.235 -10.906 1.647 1.00 0.00 H new ATOM 0 HE1 TYR B 190 -0.429 -11.470 2.524 1.00 0.00 H new ATOM 0 HE2 TYR B 190 -4.351 -13.116 2.247 1.00 0.00 H new ATOM 0 HH TYR B 190 -2.572 -14.314 2.782 1.00 0.00 H new ATOM 1287 N THR B 191 -4.507 -5.363 1.595 1.00 0.00 N ATOM 1288 CA THR B 191 -5.518 -4.316 1.692 1.00 0.00 C ATOM 1289 C THR B 191 -6.880 -4.825 1.219 1.00 0.00 C ATOM 1290 O THR B 191 -7.922 -4.310 1.624 1.00 0.00 O ATOM 1291 CB THR B 191 -5.087 -3.091 0.877 1.00 0.00 C ATOM 1292 OG1 THR B 191 -5.690 -1.917 1.383 1.00 0.00 O ATOM 1293 CG2 THR B 191 -5.428 -3.185 -0.598 1.00 0.00 C ATOM 0 H THR B 191 -3.845 -5.242 0.828 1.00 0.00 H new ATOM 0 HA THR B 191 -5.614 -4.026 2.738 1.00 0.00 H new ATOM 0 HB THR B 191 -4.002 -3.056 0.973 1.00 0.00 H new ATOM 0 HG1 THR B 191 -5.591 -1.191 0.732 1.00 0.00 H new ATOM 0 HG21 THR B 191 -5.092 -2.282 -1.107 1.00 0.00 H new ATOM 0 HG22 THR B 191 -4.931 -4.053 -1.032 1.00 0.00 H new ATOM 0 HG23 THR B 191 -6.507 -3.288 -0.716 1.00 0.00 H new ATOM 1301 N CYS B 192 -6.858 -5.838 0.356 1.00 0.00 N ATOM 1302 CA CYS B 192 -8.082 -6.430 -0.186 1.00 0.00 C ATOM 1303 C CYS B 192 -9.119 -6.672 0.876 1.00 0.00 C ATOM 1304 O CYS B 192 -8.868 -6.545 2.075 1.00 0.00 O ATOM 1305 CB CYS B 192 -7.806 -7.816 -0.800 1.00 0.00 C ATOM 1306 SG CYS B 192 -8.073 -9.225 0.374 1.00 0.00 S ATOM 0 H CYS B 192 -6.000 -6.270 0.014 1.00 0.00 H new ATOM 0 HA CYS B 192 -8.438 -5.714 -0.926 1.00 0.00 H new ATOM 0 HB2 CYS B 192 -8.450 -7.953 -1.668 1.00 0.00 H new ATOM 0 HB3 CYS B 192 -6.777 -7.845 -1.159 1.00 0.00 H new ATOM 1311 N CYS B 193 -10.238 -7.172 0.392 1.00 0.00 N ATOM 1312 CA CYS B 193 -11.312 -7.629 1.232 1.00 0.00 C ATOM 1313 C CYS B 193 -11.419 -6.855 2.550 1.00 0.00 C ATOM 1314 O CYS B 193 -11.340 -7.440 3.630 1.00 0.00 O ATOM 1315 CB CYS B 193 -11.013 -9.109 1.472 1.00 0.00 C ATOM 1316 SG CYS B 193 -10.009 -9.872 0.120 1.00 0.00 S ATOM 0 H CYS B 193 -10.423 -7.271 -0.606 1.00 0.00 H new ATOM 0 HA CYS B 193 -12.278 -7.468 0.753 1.00 0.00 H new ATOM 0 HB2 CYS B 193 -10.481 -9.218 2.417 1.00 0.00 H new ATOM 0 HB3 CYS B 193 -11.953 -9.653 1.570 1.00 0.00 H new ATOM 1321 N PRO B 194 -11.602 -5.524 2.475 1.00 0.00 N ATOM 1322 CA PRO B 194 -11.721 -4.678 3.652 1.00 0.00 C ATOM 1323 C PRO B 194 -13.167 -4.520 4.114 1.00 0.00 C ATOM 1324 O PRO B 194 -13.546 -5.016 5.176 1.00 0.00 O ATOM 1325 CB PRO B 194 -11.158 -3.344 3.163 1.00 0.00 C ATOM 1326 CG PRO B 194 -11.373 -3.326 1.678 1.00 0.00 C ATOM 1327 CD PRO B 194 -11.709 -4.735 1.241 1.00 0.00 C ATOM 0 HA PRO B 194 -11.201 -5.091 4.516 1.00 0.00 H new ATOM 0 HB2 PRO B 194 -11.666 -2.507 3.641 1.00 0.00 H new ATOM 0 HB3 PRO B 194 -10.099 -3.255 3.405 1.00 0.00 H new ATOM 0 HG2 PRO B 194 -12.181 -2.643 1.418 1.00 0.00 H new ATOM 0 HG3 PRO B 194 -10.478 -2.971 1.167 1.00 0.00 H new ATOM 0 HD2 PRO B 194 -12.711 -4.793 0.816 1.00 0.00 H new ATOM 0 HD3 PRO B 194 -11.018 -5.092 0.478 1.00 0.00 H new ATOM 1335 N ASP B 195 -13.973 -3.828 3.313 1.00 0.00 N ATOM 1336 CA ASP B 195 -15.376 -3.606 3.642 1.00 0.00 C ATOM 1337 C ASP B 195 -16.057 -2.764 2.569 1.00 0.00 C ATOM 1338 O ASP B 195 -15.555 -1.708 2.182 1.00 0.00 O ATOM 1339 CB ASP B 195 -15.503 -2.919 5.002 1.00 0.00 C ATOM 1340 CG ASP B 195 -14.605 -1.703 5.122 1.00 0.00 C ATOM 1341 OD1 ASP B 195 -13.374 -1.858 4.977 1.00 0.00 O ATOM 1342 OD2 ASP B 195 -15.133 -0.597 5.358 1.00 0.00 O ATOM 0 H ASP B 195 -13.677 -3.411 2.430 1.00 0.00 H new ATOM 0 HA ASP B 195 -15.870 -4.576 3.688 1.00 0.00 H new ATOM 0 HB2 ASP B 195 -16.539 -2.619 5.159 1.00 0.00 H new ATOM 0 HB3 ASP B 195 -15.254 -3.630 5.790 1.00 0.00 H new ATOM 1347 N THR B 196 -17.202 -3.239 2.090 1.00 0.00 N ATOM 1348 CA THR B 196 -17.954 -2.531 1.060 1.00 0.00 C ATOM 1349 C THR B 196 -19.454 -2.570 1.322 1.00 0.00 C ATOM 1350 O THR B 196 -20.239 -2.769 0.393 1.00 0.00 O ATOM 1351 CB THR B 196 -17.648 -3.127 -0.315 1.00 0.00 C ATOM 1352 OG1 THR B 196 -18.285 -2.379 -1.337 1.00 0.00 O ATOM 1353 CG2 THR B 196 -18.093 -4.567 -0.457 1.00 0.00 C ATOM 0 H THR B 196 -17.630 -4.112 2.399 1.00 0.00 H new ATOM 0 HA THR B 196 -17.642 -1.487 1.084 1.00 0.00 H new ATOM 0 HB THR B 196 -16.563 -3.088 -0.412 1.00 0.00 H new ATOM 0 HG1 THR B 196 -19.247 -2.334 -1.158 1.00 0.00 H new ATOM 0 HG21 THR B 196 -17.846 -4.927 -1.456 1.00 0.00 H new ATOM 0 HG22 THR B 196 -17.584 -5.180 0.287 1.00 0.00 H new ATOM 0 HG23 THR B 196 -19.170 -4.632 -0.304 1.00 0.00 H new ATOM 1361 N PRO B 197 -19.899 -2.301 2.568 1.00 0.00 N ATOM 1362 CA PRO B 197 -21.323 -2.234 2.875 1.00 0.00 C ATOM 1363 C PRO B 197 -21.889 -0.939 2.294 1.00 0.00 C ATOM 1364 O PRO B 197 -22.997 -0.511 2.617 1.00 0.00 O ATOM 1365 CB PRO B 197 -21.386 -2.213 4.411 1.00 0.00 C ATOM 1366 CG PRO B 197 -19.973 -2.356 4.887 1.00 0.00 C ATOM 1367 CD PRO B 197 -19.084 -1.963 3.741 1.00 0.00 C ATOM 0 HA PRO B 197 -21.897 -3.062 2.460 1.00 0.00 H new ATOM 0 HB2 PRO B 197 -21.826 -1.283 4.770 1.00 0.00 H new ATOM 0 HB3 PRO B 197 -22.008 -3.026 4.787 1.00 0.00 H new ATOM 0 HG2 PRO B 197 -19.791 -1.719 5.753 1.00 0.00 H new ATOM 0 HG3 PRO B 197 -19.772 -3.381 5.197 1.00 0.00 H new ATOM 0 HD2 PRO B 197 -18.834 -0.902 3.768 1.00 0.00 H new ATOM 0 HD3 PRO B 197 -18.143 -2.513 3.752 1.00 0.00 H new ATOM 1375 N TYR B 198 -21.068 -0.323 1.443 1.00 0.00 N ATOM 1376 CA TYR B 198 -21.369 0.926 0.785 1.00 0.00 C ATOM 1377 C TYR B 198 -22.292 0.713 -0.412 1.00 0.00 C ATOM 1378 O TYR B 198 -22.164 -0.337 -1.077 1.00 0.00 O ATOM 1379 CB TYR B 198 -20.042 1.536 0.328 1.00 0.00 C ATOM 1380 CG TYR B 198 -20.158 2.966 -0.149 1.00 0.00 C ATOM 1381 CD1 TYR B 198 -20.830 3.274 -1.325 1.00 0.00 C ATOM 1382 CD2 TYR B 198 -19.595 4.008 0.577 1.00 0.00 C ATOM 1383 CE1 TYR B 198 -20.938 4.580 -1.764 1.00 0.00 C ATOM 1384 CE2 TYR B 198 -19.699 5.316 0.145 1.00 0.00 C ATOM 1385 CZ TYR B 198 -20.371 5.596 -1.026 1.00 0.00 C ATOM 1386 OH TYR B 198 -20.476 6.899 -1.459 1.00 0.00 O ATOM 0 H TYR B 198 -20.153 -0.698 1.193 1.00 0.00 H new ATOM 0 HA TYR B 198 -21.887 1.593 1.474 1.00 0.00 H new ATOM 0 HB2 TYR B 198 -19.331 1.495 1.153 1.00 0.00 H new ATOM 0 HB3 TYR B 198 -19.631 0.927 -0.477 1.00 0.00 H new ATOM 0 HD1 TYR B 198 -21.275 2.480 -1.906 1.00 0.00 H new ATOM 0 HD2 TYR B 198 -19.067 3.792 1.494 1.00 0.00 H new ATOM 0 HE1 TYR B 198 -21.464 4.803 -2.681 1.00 0.00 H new ATOM 0 HE2 TYR B 198 -19.256 6.115 0.721 1.00 0.00 H new ATOM 0 HH TYR B 198 -20.023 7.492 -0.824 1.00 0.00 H new TER 1396 TYR B 198