USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 679 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 38 LYS NZ :NH3+ 166:sc= -0.0958 (180deg=-0.19) USER MOD Set 1.2: A 68 HIS : no HE2:sc= -12.4! C(o=-12!,f=-15!) USER MOD Set 2.1: A 6 THR OG1 : rot -148:sc= -1.25 USER MOD Set 2.2: A 12 SER OG : rot 180:sc= 0.521 USER MOD Single : A 1 ILE N :NH3+ 142:sc= 0.0131 (180deg=-0.095) USER MOD Single : A 4 HIS : no HE2:sc= -5.4! C(o=-5.4!,f=-7.1!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0852 USER MOD Single : A 9 SER OG : rot 180:sc= -0.637 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0275 USER MOD Single : A 21 ASN : amide:sc= -0.018 K(o=-0.018,f=-2.6!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 157:sc=-0.00274 (180deg=-0.141) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0.172 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -86:sc= 1.11 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -166:sc= -0.0458 (180deg=-0.351) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0.073 USER MOD Single : A 62 THR OG1 : rot 55:sc= -0.279! USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -5.92! C(o=-5.9!,f=-7.5!) USER MOD Single : A 70 LYS NZ :NH3+ -116:sc= -0.143 (180deg=-2.35!) USER MOD Single : A 71 GLN : amide:sc= -0.0851 X(o=-0.085,f=-0.48) USER MOD Single : B 181 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 183 THR OG1 : rot 180:sc= 0 USER MOD Single : B 185 SER OG : rot 96:sc= 0.0275 USER MOD Single : B 187 TYR OH : rot 180:sc= -0.909 USER MOD Single : B 191 LYS NZ :NH3+ -134:sc= 0.877 (180deg=-1.7!) USER MOD Single : B 194 TYR OH : rot 165:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 0.050 14.305 -5.327 1.00 1.46 N ATOM 2 CA ILE A 1 0.717 12.984 -5.207 1.00 1.08 C ATOM 3 C ILE A 1 -0.063 12.053 -4.288 1.00 1.00 C ATOM 4 O ILE A 1 -0.625 12.483 -3.280 1.00 1.15 O ATOM 5 CB ILE A 1 2.156 13.130 -4.685 1.00 1.23 C ATOM 6 CG1 ILE A 1 2.893 11.789 -4.796 1.00 1.26 C ATOM 7 CG2 ILE A 1 2.164 13.666 -3.256 1.00 1.83 C ATOM 8 CD1 ILE A 1 2.961 11.003 -3.505 1.00 1.40 C ATOM 0 H1 ILE A 1 0.769 15.056 -5.358 1.00 1.46 H new ATOM 0 H2 ILE A 1 -0.515 14.331 -6.200 1.00 1.46 H new ATOM 0 H3 ILE A 1 -0.572 14.455 -4.507 1.00 1.46 H new ATOM 0 HA ILE A 1 0.747 12.551 -6.207 1.00 1.08 H new ATOM 0 HB ILE A 1 2.685 13.856 -5.302 1.00 1.23 H new ATOM 0 HG12 ILE A 1 2.400 11.179 -5.553 1.00 1.26 H new ATOM 0 HG13 ILE A 1 3.908 11.974 -5.148 1.00 1.26 H new ATOM 0 HG21 ILE A 1 3.193 13.761 -2.909 1.00 1.83 H new ATOM 0 HG22 ILE A 1 1.681 14.643 -3.231 1.00 1.83 H new ATOM 0 HG23 ILE A 1 1.624 12.978 -2.606 1.00 1.83 H new ATOM 0 HD11 ILE A 1 3.499 10.070 -3.675 1.00 1.40 H new ATOM 0 HD12 ILE A 1 3.482 11.590 -2.749 1.00 1.40 H new ATOM 0 HD13 ILE A 1 1.951 10.782 -3.160 1.00 1.40 H new ATOM 22 N VAL A 2 -0.096 10.776 -4.647 1.00 0.90 N ATOM 23 CA VAL A 2 -0.812 9.778 -3.862 1.00 0.85 C ATOM 24 C VAL A 2 0.141 8.702 -3.344 1.00 0.77 C ATOM 25 O VAL A 2 1.264 8.568 -3.833 1.00 0.83 O ATOM 26 CB VAL A 2 -1.939 9.123 -4.689 1.00 0.88 C ATOM 27 CG1 VAL A 2 -1.368 8.344 -5.860 1.00 1.22 C ATOM 28 CG2 VAL A 2 -2.799 8.225 -3.814 1.00 1.68 C ATOM 0 H VAL A 2 0.365 10.406 -5.478 1.00 0.90 H new ATOM 0 HA VAL A 2 -1.258 10.292 -3.011 1.00 0.85 H new ATOM 0 HB VAL A 2 -2.571 9.917 -5.086 1.00 0.88 H new ATOM 0 HG11 VAL A 2 -2.181 7.892 -6.427 1.00 1.22 H new ATOM 0 HG12 VAL A 2 -0.806 9.018 -6.506 1.00 1.22 H new ATOM 0 HG13 VAL A 2 -0.706 7.562 -5.488 1.00 1.22 H new ATOM 0 HG21 VAL A 2 -3.586 7.774 -4.418 1.00 1.68 H new ATOM 0 HG22 VAL A 2 -2.180 7.440 -3.380 1.00 1.68 H new ATOM 0 HG23 VAL A 2 -3.248 8.816 -3.016 1.00 1.68 H new ATOM 38 N CYS A 3 -0.307 7.946 -2.344 1.00 0.75 N ATOM 39 CA CYS A 3 0.511 6.894 -1.754 1.00 0.70 C ATOM 40 C CYS A 3 -0.368 5.871 -1.030 1.00 0.63 C ATOM 41 O CYS A 3 -1.099 6.222 -0.104 1.00 0.70 O ATOM 42 CB CYS A 3 1.504 7.516 -0.759 1.00 0.79 C ATOM 43 SG CYS A 3 3.242 7.608 -1.322 1.00 1.11 S ATOM 0 H CYS A 3 -1.233 8.044 -1.927 1.00 0.75 H new ATOM 0 HA CYS A 3 1.055 6.385 -2.549 1.00 0.70 H new ATOM 0 HB2 CYS A 3 1.166 8.524 -0.519 1.00 0.79 H new ATOM 0 HB3 CYS A 3 1.471 6.940 0.166 1.00 0.79 H new ATOM 48 N HIS A 4 -0.289 4.604 -1.443 1.00 0.71 N ATOM 49 CA HIS A 4 -1.077 3.544 -0.807 1.00 0.82 C ATOM 50 C HIS A 4 -0.904 3.607 0.709 1.00 1.09 C ATOM 51 O HIS A 4 -0.011 4.299 1.199 1.00 1.60 O ATOM 52 CB HIS A 4 -0.641 2.168 -1.319 1.00 1.02 C ATOM 53 CG HIS A 4 -1.162 1.832 -2.683 1.00 1.26 C ATOM 54 ND1 HIS A 4 -2.345 1.156 -2.895 1.00 1.97 N ATOM 55 CD2 HIS A 4 -0.648 2.076 -3.910 1.00 1.30 C ATOM 56 CE1 HIS A 4 -2.534 0.997 -4.192 1.00 2.45 C ATOM 57 NE2 HIS A 4 -1.519 1.547 -4.830 1.00 2.02 N ATOM 0 H HIS A 4 0.307 4.288 -2.208 1.00 0.71 H new ATOM 0 HA HIS A 4 -2.127 3.694 -1.059 1.00 0.82 H new ATOM 0 HB2 HIS A 4 0.448 2.127 -1.337 1.00 1.02 H new ATOM 0 HB3 HIS A 4 -0.977 1.407 -0.615 1.00 1.02 H new ATOM 0 HD1 HIS A 4 -2.976 0.829 -2.163 1.00 1.97 H new ATOM 0 HD2 HIS A 4 0.276 2.591 -4.126 1.00 1.30 H new ATOM 0 HE1 HIS A 4 -3.376 0.501 -4.652 1.00 2.45 H new ATOM 66 N THR A 5 -1.749 2.900 1.462 1.00 1.09 N ATOM 67 CA THR A 5 -1.634 2.928 2.916 1.00 1.47 C ATOM 68 C THR A 5 -2.413 1.810 3.606 1.00 1.49 C ATOM 69 O THR A 5 -1.851 1.088 4.425 1.00 1.87 O ATOM 70 CB THR A 5 -2.105 4.284 3.456 1.00 1.81 C ATOM 71 OG1 THR A 5 -1.143 4.833 4.339 1.00 2.39 O ATOM 72 CG2 THR A 5 -3.426 4.215 4.203 1.00 1.75 C ATOM 0 H THR A 5 -2.502 2.316 1.098 1.00 1.09 H new ATOM 0 HA THR A 5 -0.579 2.771 3.143 1.00 1.47 H new ATOM 0 HB THR A 5 -2.240 4.910 2.574 1.00 1.81 H new ATOM 0 HG1 THR A 5 -1.461 5.698 4.672 1.00 2.39 H new ATOM 0 HG21 THR A 5 -3.697 5.210 4.556 1.00 1.75 H new ATOM 0 HG22 THR A 5 -4.203 3.843 3.535 1.00 1.75 H new ATOM 0 HG23 THR A 5 -3.328 3.542 5.055 1.00 1.75 H new ATOM 80 N THR A 6 -3.719 1.724 3.320 1.00 1.69 N ATOM 81 CA THR A 6 -4.603 0.747 3.960 1.00 1.97 C ATOM 82 C THR A 6 -3.900 -0.572 4.238 1.00 1.73 C ATOM 83 O THR A 6 -4.113 -1.567 3.550 1.00 2.23 O ATOM 84 CB THR A 6 -5.854 0.523 3.118 1.00 2.42 C ATOM 85 OG1 THR A 6 -6.193 1.699 2.407 1.00 2.93 O ATOM 86 CG2 THR A 6 -7.060 0.123 3.941 1.00 3.03 C ATOM 0 H THR A 6 -4.188 2.326 2.643 1.00 1.69 H new ATOM 0 HA THR A 6 -4.896 1.163 4.924 1.00 1.97 H new ATOM 0 HB THR A 6 -5.607 -0.293 2.439 1.00 2.42 H new ATOM 0 HG1 THR A 6 -7.166 1.750 2.304 1.00 2.93 H new ATOM 0 HG21 THR A 6 -7.917 -0.021 3.284 1.00 3.03 H new ATOM 0 HG22 THR A 6 -6.848 -0.806 4.470 1.00 3.03 H new ATOM 0 HG23 THR A 6 -7.285 0.908 4.663 1.00 3.03 H new ATOM 94 N ALA A 7 -3.060 -0.559 5.262 1.00 1.30 N ATOM 95 CA ALA A 7 -2.310 -1.746 5.655 1.00 1.15 C ATOM 96 C ALA A 7 -3.054 -2.552 6.713 1.00 1.07 C ATOM 97 O ALA A 7 -2.477 -3.427 7.360 1.00 1.22 O ATOM 98 CB ALA A 7 -0.925 -1.360 6.152 1.00 1.54 C ATOM 0 H ALA A 7 -2.879 0.263 5.839 1.00 1.30 H new ATOM 0 HA ALA A 7 -2.202 -2.378 4.774 1.00 1.15 H new ATOM 0 HB1 ALA A 7 -0.379 -2.258 6.441 1.00 1.54 H new ATOM 0 HB2 ALA A 7 -0.384 -0.846 5.358 1.00 1.54 H new ATOM 0 HB3 ALA A 7 -1.019 -0.699 7.014 1.00 1.54 H new ATOM 104 N THR A 8 -4.339 -2.268 6.868 1.00 1.08 N ATOM 105 CA THR A 8 -5.167 -2.984 7.827 1.00 1.30 C ATOM 106 C THR A 8 -5.642 -4.287 7.205 1.00 1.29 C ATOM 107 O THR A 8 -5.636 -5.340 7.843 1.00 2.06 O ATOM 108 CB THR A 8 -6.367 -2.130 8.248 1.00 1.54 C ATOM 109 OG1 THR A 8 -6.506 -1.004 7.399 1.00 2.07 O ATOM 110 CG2 THR A 8 -6.270 -1.623 9.670 1.00 2.05 C ATOM 0 H THR A 8 -4.831 -1.546 6.341 1.00 1.08 H new ATOM 0 HA THR A 8 -4.576 -3.200 8.717 1.00 1.30 H new ATOM 0 HB THR A 8 -7.231 -2.790 8.172 1.00 1.54 H new ATOM 0 HG1 THR A 8 -7.279 -0.473 7.684 1.00 2.07 H new ATOM 0 HG21 THR A 8 -7.151 -1.026 9.904 1.00 2.05 H new ATOM 0 HG22 THR A 8 -6.213 -2.469 10.355 1.00 2.05 H new ATOM 0 HG23 THR A 8 -5.376 -1.009 9.777 1.00 2.05 H new ATOM 118 N SER A 9 -6.035 -4.201 5.940 1.00 0.85 N ATOM 119 CA SER A 9 -6.500 -5.360 5.196 1.00 0.83 C ATOM 120 C SER A 9 -6.724 -5.005 3.726 1.00 0.92 C ATOM 121 O SER A 9 -6.043 -5.534 2.847 1.00 1.10 O ATOM 122 CB SER A 9 -7.770 -5.925 5.830 1.00 0.97 C ATOM 123 OG SER A 9 -8.718 -6.310 4.849 1.00 1.23 O ATOM 0 H SER A 9 -6.040 -3.332 5.406 1.00 0.85 H new ATOM 0 HA SER A 9 -5.731 -6.131 5.237 1.00 0.83 H new ATOM 0 HB2 SER A 9 -7.516 -6.786 6.449 1.00 0.97 H new ATOM 0 HB3 SER A 9 -8.211 -5.178 6.489 1.00 0.97 H new ATOM 0 HG SER A 9 -9.517 -6.668 5.289 1.00 1.23 H new ATOM 129 N PRO A 10 -7.674 -4.099 3.432 1.00 1.07 N ATOM 130 CA PRO A 10 -7.964 -3.686 2.063 1.00 1.23 C ATOM 131 C PRO A 10 -7.091 -2.523 1.603 1.00 1.08 C ATOM 132 O PRO A 10 -7.473 -1.361 1.728 1.00 1.21 O ATOM 133 CB PRO A 10 -9.412 -3.242 2.159 1.00 1.51 C ATOM 134 CG PRO A 10 -9.527 -2.654 3.526 1.00 1.71 C ATOM 135 CD PRO A 10 -8.545 -3.404 4.400 1.00 1.37 C ATOM 0 HA PRO A 10 -7.775 -4.481 1.342 1.00 1.23 H new ATOM 0 HB2 PRO A 10 -9.656 -2.510 1.389 1.00 1.51 H new ATOM 0 HB3 PRO A 10 -10.095 -4.081 2.028 1.00 1.51 H new ATOM 0 HG2 PRO A 10 -9.298 -1.589 3.511 1.00 1.71 H new ATOM 0 HG3 PRO A 10 -10.543 -2.756 3.908 1.00 1.71 H new ATOM 0 HD2 PRO A 10 -7.976 -2.726 5.036 1.00 1.37 H new ATOM 0 HD3 PRO A 10 -9.053 -4.108 5.059 1.00 1.37 H new ATOM 143 N ILE A 11 -5.925 -2.846 1.061 1.00 1.02 N ATOM 144 CA ILE A 11 -4.993 -1.829 0.570 1.00 1.04 C ATOM 145 C ILE A 11 -5.712 -0.819 -0.329 1.00 1.16 C ATOM 146 O ILE A 11 -6.337 -1.201 -1.317 1.00 1.22 O ATOM 147 CB ILE A 11 -3.816 -2.482 -0.199 1.00 1.10 C ATOM 148 CG1 ILE A 11 -2.674 -2.816 0.764 1.00 1.33 C ATOM 149 CG2 ILE A 11 -3.307 -1.579 -1.318 1.00 1.54 C ATOM 150 CD1 ILE A 11 -3.090 -3.675 1.939 1.00 0.91 C ATOM 0 H ILE A 11 -5.597 -3.805 0.948 1.00 1.02 H new ATOM 0 HA ILE A 11 -4.592 -1.301 1.435 1.00 1.04 H new ATOM 0 HB ILE A 11 -4.187 -3.402 -0.652 1.00 1.10 H new ATOM 0 HG12 ILE A 11 -1.886 -3.329 0.213 1.00 1.33 H new ATOM 0 HG13 ILE A 11 -2.246 -1.887 1.140 1.00 1.33 H new ATOM 0 HG21 ILE A 11 -2.482 -2.070 -1.835 1.00 1.54 H new ATOM 0 HG22 ILE A 11 -4.114 -1.385 -2.025 1.00 1.54 H new ATOM 0 HG23 ILE A 11 -2.960 -0.636 -0.895 1.00 1.54 H new ATOM 0 HD11 ILE A 11 -2.225 -3.867 2.574 1.00 0.91 H new ATOM 0 HD12 ILE A 11 -3.855 -3.156 2.516 1.00 0.91 H new ATOM 0 HD13 ILE A 11 -3.490 -4.621 1.574 1.00 0.91 H new ATOM 162 N SER A 12 -5.622 0.469 0.011 1.00 1.35 N ATOM 163 CA SER A 12 -6.268 1.504 -0.778 1.00 1.59 C ATOM 164 C SER A 12 -5.244 2.539 -1.233 1.00 1.67 C ATOM 165 O SER A 12 -4.064 2.227 -1.389 1.00 2.36 O ATOM 166 CB SER A 12 -7.386 2.167 0.031 1.00 1.98 C ATOM 167 OG SER A 12 -8.062 1.222 0.840 1.00 2.52 O ATOM 0 H SER A 12 -5.110 0.812 0.824 1.00 1.35 H new ATOM 0 HA SER A 12 -6.710 1.047 -1.663 1.00 1.59 H new ATOM 0 HB2 SER A 12 -6.967 2.953 0.659 1.00 1.98 H new ATOM 0 HB3 SER A 12 -8.095 2.643 -0.646 1.00 1.98 H new ATOM 0 HG SER A 12 -8.770 1.672 1.347 1.00 2.52 H new ATOM 173 N ALA A 13 -5.695 3.766 -1.445 1.00 1.81 N ATOM 174 CA ALA A 13 -4.809 4.836 -1.883 1.00 2.23 C ATOM 175 C ALA A 13 -5.217 6.174 -1.279 1.00 2.01 C ATOM 176 O ALA A 13 -6.274 6.715 -1.602 1.00 2.59 O ATOM 177 CB ALA A 13 -4.802 4.919 -3.402 1.00 2.98 C ATOM 0 H ALA A 13 -6.668 4.046 -1.321 1.00 1.81 H new ATOM 0 HA ALA A 13 -3.802 4.607 -1.535 1.00 2.23 H new ATOM 0 HB1 ALA A 13 -4.137 5.722 -3.719 1.00 2.98 H new ATOM 0 HB2 ALA A 13 -4.453 3.973 -3.816 1.00 2.98 H new ATOM 0 HB3 ALA A 13 -5.811 5.121 -3.760 1.00 2.98 H new ATOM 183 N VAL A 14 -4.369 6.705 -0.405 1.00 1.42 N ATOM 184 CA VAL A 14 -4.643 7.983 0.241 1.00 1.47 C ATOM 185 C VAL A 14 -3.525 8.982 -0.036 1.00 1.18 C ATOM 186 O VAL A 14 -2.416 8.602 -0.409 1.00 1.25 O ATOM 187 CB VAL A 14 -4.813 7.827 1.764 1.00 2.12 C ATOM 188 CG1 VAL A 14 -6.184 7.255 2.090 1.00 2.72 C ATOM 189 CG2 VAL A 14 -3.711 6.954 2.341 1.00 2.60 C ATOM 0 H VAL A 14 -3.488 6.271 -0.128 1.00 1.42 H new ATOM 0 HA VAL A 14 -5.578 8.355 -0.179 1.00 1.47 H new ATOM 0 HB VAL A 14 -4.736 8.813 2.222 1.00 2.12 H new ATOM 0 HG11 VAL A 14 -6.287 7.151 3.170 1.00 2.72 H new ATOM 0 HG12 VAL A 14 -6.957 7.926 1.714 1.00 2.72 H new ATOM 0 HG13 VAL A 14 -6.292 6.278 1.620 1.00 2.72 H new ATOM 0 HG21 VAL A 14 -3.850 6.857 3.418 1.00 2.60 H new ATOM 0 HG22 VAL A 14 -3.749 5.967 1.880 1.00 2.60 H new ATOM 0 HG23 VAL A 14 -2.742 7.411 2.140 1.00 2.60 H new ATOM 199 N THR A 15 -3.826 10.263 0.148 1.00 1.40 N ATOM 200 CA THR A 15 -2.848 11.319 -0.084 1.00 1.51 C ATOM 201 C THR A 15 -1.798 11.341 1.021 1.00 1.11 C ATOM 202 O THR A 15 -2.101 11.655 2.171 1.00 1.51 O ATOM 203 CB THR A 15 -3.546 12.677 -0.168 1.00 2.24 C ATOM 204 OG1 THR A 15 -4.882 12.528 -0.616 1.00 2.88 O ATOM 205 CG2 THR A 15 -2.858 13.650 -1.099 1.00 2.67 C ATOM 0 H THR A 15 -4.740 10.595 0.457 1.00 1.40 H new ATOM 0 HA THR A 15 -2.347 11.116 -1.031 1.00 1.51 H new ATOM 0 HB THR A 15 -3.510 13.081 0.844 1.00 2.24 H new ATOM 0 HG1 THR A 15 -5.312 13.408 -0.661 1.00 2.88 H new ATOM 0 HG21 THR A 15 -3.406 14.592 -1.110 1.00 2.67 H new ATOM 0 HG22 THR A 15 -1.840 13.827 -0.753 1.00 2.67 H new ATOM 0 HG23 THR A 15 -2.832 13.233 -2.106 1.00 2.67 H new ATOM 213 N CYS A 16 -0.560 11.011 0.663 1.00 1.25 N ATOM 214 CA CYS A 16 0.535 10.998 1.626 1.00 0.96 C ATOM 215 C CYS A 16 0.659 12.355 2.319 1.00 1.09 C ATOM 216 O CYS A 16 0.551 13.397 1.671 1.00 1.57 O ATOM 217 CB CYS A 16 1.852 10.662 0.928 1.00 1.10 C ATOM 218 SG CYS A 16 3.304 10.673 2.027 1.00 1.48 S ATOM 0 H CYS A 16 -0.291 10.750 -0.286 1.00 1.25 H new ATOM 0 HA CYS A 16 0.318 10.235 2.374 1.00 0.96 H new ATOM 0 HB2 CYS A 16 1.766 9.677 0.469 1.00 1.10 H new ATOM 0 HB3 CYS A 16 2.015 11.377 0.122 1.00 1.10 H new ATOM 223 N PRO A 17 0.891 12.370 3.645 1.00 1.51 N ATOM 224 CA PRO A 17 1.032 13.615 4.405 1.00 1.98 C ATOM 225 C PRO A 17 1.888 14.650 3.675 1.00 1.78 C ATOM 226 O PRO A 17 2.602 14.318 2.728 1.00 2.07 O ATOM 227 CB PRO A 17 1.722 13.154 5.688 1.00 2.91 C ATOM 228 CG PRO A 17 1.240 11.758 5.886 1.00 3.06 C ATOM 229 CD PRO A 17 1.036 11.180 4.509 1.00 2.21 C ATOM 0 HA PRO A 17 0.075 14.111 4.569 1.00 1.98 H new ATOM 0 HB2 PRO A 17 2.807 13.190 5.591 1.00 2.91 H new ATOM 0 HB3 PRO A 17 1.457 13.790 6.533 1.00 2.91 H new ATOM 0 HG2 PRO A 17 1.966 11.172 6.449 1.00 3.06 H new ATOM 0 HG3 PRO A 17 0.310 11.745 6.455 1.00 3.06 H new ATOM 0 HD2 PRO A 17 1.883 10.565 4.204 1.00 2.21 H new ATOM 0 HD3 PRO A 17 0.150 10.546 4.468 1.00 2.21 H new ATOM 237 N PRO A 18 1.823 15.924 4.102 1.00 2.10 N ATOM 238 CA PRO A 18 2.592 17.008 3.477 1.00 2.55 C ATOM 239 C PRO A 18 4.100 16.791 3.571 1.00 2.46 C ATOM 240 O PRO A 18 4.872 17.425 2.848 1.00 2.98 O ATOM 241 CB PRO A 18 2.180 18.253 4.271 1.00 3.33 C ATOM 242 CG PRO A 18 1.625 17.732 5.552 1.00 3.40 C ATOM 243 CD PRO A 18 0.998 16.409 5.220 1.00 2.76 C ATOM 0 HA PRO A 18 2.384 17.080 2.409 1.00 2.55 H new ATOM 0 HB2 PRO A 18 3.033 18.907 4.449 1.00 3.33 H new ATOM 0 HB3 PRO A 18 1.437 18.838 3.729 1.00 3.33 H new ATOM 0 HG2 PRO A 18 2.410 17.616 6.299 1.00 3.40 H new ATOM 0 HG3 PRO A 18 0.889 18.420 5.967 1.00 3.40 H new ATOM 0 HD2 PRO A 18 1.025 15.725 6.068 1.00 2.76 H new ATOM 0 HD3 PRO A 18 -0.048 16.519 4.932 1.00 2.76 H new ATOM 251 N GLY A 19 4.519 15.900 4.463 1.00 2.33 N ATOM 252 CA GLY A 19 5.936 15.627 4.627 1.00 2.55 C ATOM 253 C GLY A 19 6.464 14.633 3.610 1.00 2.13 C ATOM 254 O GLY A 19 7.083 15.018 2.618 1.00 2.21 O ATOM 0 H GLY A 19 3.905 15.363 5.075 1.00 2.33 H new ATOM 0 HA2 GLY A 19 6.494 16.560 4.540 1.00 2.55 H new ATOM 0 HA3 GLY A 19 6.113 15.242 5.631 1.00 2.55 H new ATOM 258 N GLU A 20 6.224 13.350 3.862 1.00 2.23 N ATOM 259 CA GLU A 20 6.683 12.293 2.967 1.00 1.98 C ATOM 260 C GLU A 20 6.141 12.492 1.554 1.00 1.93 C ATOM 261 O GLU A 20 5.099 13.119 1.361 1.00 2.60 O ATOM 262 CB GLU A 20 6.251 10.930 3.507 1.00 2.70 C ATOM 263 CG GLU A 20 7.099 10.443 4.671 1.00 3.40 C ATOM 264 CD GLU A 20 6.895 11.270 5.925 1.00 4.06 C ATOM 265 OE1 GLU A 20 5.730 11.436 6.345 1.00 4.42 O ATOM 266 OE2 GLU A 20 7.902 11.749 6.488 1.00 4.58 O ATOM 0 H GLU A 20 5.714 13.017 4.680 1.00 2.23 H new ATOM 0 HA GLU A 20 7.771 12.335 2.920 1.00 1.98 H new ATOM 0 HB2 GLU A 20 5.210 10.987 3.825 1.00 2.70 H new ATOM 0 HB3 GLU A 20 6.298 10.197 2.702 1.00 2.70 H new ATOM 0 HG2 GLU A 20 6.856 9.402 4.883 1.00 3.40 H new ATOM 0 HG3 GLU A 20 8.151 10.473 4.387 1.00 3.40 H new ATOM 273 N ASN A 21 6.861 11.966 0.567 1.00 1.63 N ATOM 274 CA ASN A 21 6.454 12.099 -0.829 1.00 2.24 C ATOM 275 C ASN A 21 6.437 10.751 -1.554 1.00 1.93 C ATOM 276 O ASN A 21 5.710 10.578 -2.532 1.00 2.55 O ATOM 277 CB ASN A 21 7.387 13.067 -1.558 1.00 3.07 C ATOM 278 CG ASN A 21 6.982 14.514 -1.366 1.00 4.04 C ATOM 279 OD1 ASN A 21 6.505 14.901 -0.300 1.00 4.71 O ATOM 280 ND2 ASN A 21 7.175 15.324 -2.402 1.00 4.42 N ATOM 0 H ASN A 21 7.727 11.445 0.707 1.00 1.63 H new ATOM 0 HA ASN A 21 5.437 12.492 -0.836 1.00 2.24 H new ATOM 0 HB2 ASN A 21 8.406 12.927 -1.197 1.00 3.07 H new ATOM 0 HB3 ASN A 21 7.391 12.832 -2.622 1.00 3.07 H new ATOM 0 HD21 ASN A 21 6.924 16.310 -2.332 1.00 4.42 H new ATOM 0 HD22 ASN A 21 7.574 14.959 -3.267 1.00 4.42 H new ATOM 287 N LEU A 22 7.240 9.799 -1.078 1.00 1.21 N ATOM 288 CA LEU A 22 7.305 8.477 -1.697 1.00 1.01 C ATOM 289 C LEU A 22 6.643 7.432 -0.810 1.00 0.79 C ATOM 290 O LEU A 22 6.496 7.635 0.391 1.00 1.02 O ATOM 291 CB LEU A 22 8.761 8.083 -1.971 1.00 1.12 C ATOM 292 CG LEU A 22 9.706 8.190 -0.771 1.00 1.11 C ATOM 293 CD1 LEU A 22 9.476 7.044 0.196 1.00 1.62 C ATOM 294 CD2 LEU A 22 11.152 8.205 -1.234 1.00 1.15 C ATOM 0 H LEU A 22 7.851 9.918 -0.270 1.00 1.21 H new ATOM 0 HA LEU A 22 6.767 8.521 -2.644 1.00 1.01 H new ATOM 0 HB2 LEU A 22 8.779 7.056 -2.336 1.00 1.12 H new ATOM 0 HB3 LEU A 22 9.146 8.713 -2.773 1.00 1.12 H new ATOM 0 HG LEU A 22 9.495 9.126 -0.253 1.00 1.11 H new ATOM 0 HD11 LEU A 22 10.157 7.139 1.041 1.00 1.62 H new ATOM 0 HD12 LEU A 22 8.447 7.071 0.555 1.00 1.62 H new ATOM 0 HD13 LEU A 22 9.658 6.097 -0.312 1.00 1.62 H new ATOM 0 HD21 LEU A 22 11.810 8.281 -0.369 1.00 1.15 H new ATOM 0 HD22 LEU A 22 11.370 7.285 -1.776 1.00 1.15 H new ATOM 0 HD23 LEU A 22 11.315 9.060 -1.891 1.00 1.15 H new ATOM 306 N CYS A 23 6.243 6.310 -1.402 1.00 0.61 N ATOM 307 CA CYS A 23 5.598 5.243 -0.638 1.00 0.58 C ATOM 308 C CYS A 23 6.555 4.071 -0.433 1.00 0.64 C ATOM 309 O CYS A 23 7.106 3.533 -1.392 1.00 0.85 O ATOM 310 CB CYS A 23 4.319 4.750 -1.331 1.00 0.74 C ATOM 311 SG CYS A 23 3.528 5.949 -2.457 1.00 1.06 S ATOM 0 H CYS A 23 6.352 6.116 -2.397 1.00 0.61 H new ATOM 0 HA CYS A 23 5.326 5.658 0.333 1.00 0.58 H new ATOM 0 HB2 CYS A 23 4.556 3.849 -1.896 1.00 0.74 H new ATOM 0 HB3 CYS A 23 3.597 4.466 -0.565 1.00 0.74 H new ATOM 316 N TYR A 24 6.753 3.679 0.825 1.00 0.67 N ATOM 317 CA TYR A 24 7.638 2.581 1.159 1.00 0.80 C ATOM 318 C TYR A 24 6.827 1.357 1.585 1.00 0.77 C ATOM 319 O TYR A 24 5.716 1.490 2.098 1.00 1.20 O ATOM 320 CB TYR A 24 8.588 3.022 2.279 1.00 0.96 C ATOM 321 CG TYR A 24 7.965 2.993 3.658 1.00 0.91 C ATOM 322 CD1 TYR A 24 7.889 1.809 4.384 1.00 1.64 C ATOM 323 CD2 TYR A 24 7.447 4.149 4.232 1.00 1.30 C ATOM 324 CE1 TYR A 24 7.317 1.779 5.641 1.00 1.74 C ATOM 325 CE2 TYR A 24 6.875 4.127 5.489 1.00 1.43 C ATOM 326 CZ TYR A 24 6.812 2.939 6.189 1.00 1.22 C ATOM 327 OH TYR A 24 6.240 2.913 7.441 1.00 1.48 O ATOM 0 H TYR A 24 6.305 4.115 1.631 1.00 0.67 H new ATOM 0 HA TYR A 24 8.225 2.306 0.283 1.00 0.80 H new ATOM 0 HB2 TYR A 24 9.465 2.375 2.274 1.00 0.96 H new ATOM 0 HB3 TYR A 24 8.936 4.033 2.070 1.00 0.96 H new ATOM 0 HD1 TYR A 24 8.284 0.898 3.958 1.00 1.64 H new ATOM 0 HD2 TYR A 24 7.493 5.080 3.686 1.00 1.30 H new ATOM 0 HE1 TYR A 24 7.266 0.851 6.192 1.00 1.74 H new ATOM 0 HE2 TYR A 24 6.479 5.034 5.922 1.00 1.43 H new ATOM 0 HH TYR A 24 5.935 3.813 7.680 1.00 1.48 H new ATOM 337 N ARG A 25 7.377 0.168 1.364 1.00 0.98 N ATOM 338 CA ARG A 25 6.686 -1.067 1.720 1.00 0.97 C ATOM 339 C ARG A 25 7.628 -2.030 2.433 1.00 1.00 C ATOM 340 O ARG A 25 8.437 -2.701 1.793 1.00 1.24 O ATOM 341 CB ARG A 25 6.114 -1.721 0.462 1.00 1.18 C ATOM 342 CG ARG A 25 5.424 -3.051 0.713 1.00 1.73 C ATOM 343 CD ARG A 25 4.845 -3.622 -0.570 1.00 2.06 C ATOM 344 NE ARG A 25 5.718 -4.633 -1.161 1.00 2.58 N ATOM 345 CZ ARG A 25 5.665 -5.005 -2.439 1.00 2.95 C ATOM 346 NH1 ARG A 25 4.778 -4.458 -3.260 1.00 2.99 N ATOM 347 NH2 ARG A 25 6.504 -5.926 -2.894 1.00 3.73 N ATOM 0 H ARG A 25 8.296 0.033 0.942 1.00 0.98 H new ATOM 0 HA ARG A 25 5.870 -0.825 2.401 1.00 0.97 H new ATOM 0 HB2 ARG A 25 5.402 -1.036 0.001 1.00 1.18 H new ATOM 0 HB3 ARG A 25 6.921 -1.872 -0.255 1.00 1.18 H new ATOM 0 HG2 ARG A 25 6.136 -3.758 1.140 1.00 1.73 H new ATOM 0 HG3 ARG A 25 4.628 -2.918 1.446 1.00 1.73 H new ATOM 0 HD2 ARG A 25 3.869 -4.061 -0.363 1.00 2.06 H new ATOM 0 HD3 ARG A 25 4.686 -2.816 -1.287 1.00 2.06 H new ATOM 0 HE ARG A 25 6.409 -5.081 -0.559 1.00 2.58 H new ATOM 0 HH11 ARG A 25 4.132 -3.749 -2.914 1.00 2.99 H new ATOM 0 HH12 ARG A 25 4.742 -4.747 -4.238 1.00 2.99 H new ATOM 0 HH21 ARG A 25 7.188 -6.348 -2.266 1.00 3.73 H new ATOM 0 HH22 ARG A 25 6.465 -6.212 -3.872 1.00 3.73 H new ATOM 361 N LYS A 26 7.533 -2.086 3.762 1.00 0.97 N ATOM 362 CA LYS A 26 8.400 -2.967 4.539 1.00 1.17 C ATOM 363 C LYS A 26 7.720 -4.306 4.809 1.00 0.97 C ATOM 364 O LYS A 26 6.522 -4.356 5.078 1.00 1.08 O ATOM 365 CB LYS A 26 8.803 -2.290 5.858 1.00 1.51 C ATOM 366 CG LYS A 26 7.820 -2.511 7.003 1.00 1.81 C ATOM 367 CD LYS A 26 8.310 -1.866 8.290 1.00 2.60 C ATOM 368 CE LYS A 26 7.235 -0.995 8.923 1.00 3.26 C ATOM 369 NZ LYS A 26 7.821 0.049 9.809 1.00 4.09 N ATOM 0 H LYS A 26 6.873 -1.539 4.315 1.00 0.97 H new ATOM 0 HA LYS A 26 9.300 -3.160 3.956 1.00 1.17 H new ATOM 0 HB2 LYS A 26 9.783 -2.661 6.159 1.00 1.51 H new ATOM 0 HB3 LYS A 26 8.907 -1.219 5.686 1.00 1.51 H new ATOM 0 HG2 LYS A 26 6.848 -2.097 6.734 1.00 1.81 H new ATOM 0 HG3 LYS A 26 7.679 -3.580 7.161 1.00 1.81 H new ATOM 0 HD2 LYS A 26 8.613 -2.641 8.994 1.00 2.60 H new ATOM 0 HD3 LYS A 26 9.193 -1.262 8.082 1.00 2.60 H new ATOM 0 HE2 LYS A 26 6.645 -0.518 8.140 1.00 3.26 H new ATOM 0 HE3 LYS A 26 6.553 -1.620 9.499 1.00 3.26 H new ATOM 0 HZ1 LYS A 26 7.058 0.622 10.222 1.00 4.09 H new ATOM 0 HZ2 LYS A 26 8.363 -0.406 10.571 1.00 4.09 H new ATOM 0 HZ3 LYS A 26 8.452 0.661 9.254 1.00 4.09 H new ATOM 383 N MET A 27 8.492 -5.390 4.735 1.00 0.81 N ATOM 384 CA MET A 27 7.950 -6.732 4.971 1.00 0.72 C ATOM 385 C MET A 27 8.899 -7.557 5.834 1.00 0.71 C ATOM 386 O MET A 27 10.063 -7.196 5.994 1.00 0.78 O ATOM 387 CB MET A 27 7.695 -7.455 3.641 1.00 0.82 C ATOM 388 CG MET A 27 7.815 -6.565 2.413 1.00 1.28 C ATOM 389 SD MET A 27 9.525 -6.330 1.891 1.00 1.82 S ATOM 390 CE MET A 27 9.285 -5.668 0.245 1.00 2.26 C ATOM 0 H MET A 27 9.488 -5.368 4.515 1.00 0.81 H new ATOM 0 HA MET A 27 7.003 -6.621 5.500 1.00 0.72 H new ATOM 0 HB2 MET A 27 8.401 -8.280 3.548 1.00 0.82 H new ATOM 0 HB3 MET A 27 6.696 -7.891 3.663 1.00 0.82 H new ATOM 0 HG2 MET A 27 7.246 -7.004 1.594 1.00 1.28 H new ATOM 0 HG3 MET A 27 7.368 -5.594 2.627 1.00 1.28 H new ATOM 0 HE1 MET A 27 10.168 -5.102 -0.052 1.00 2.26 H new ATOM 0 HE2 MET A 27 9.125 -6.487 -0.457 1.00 2.26 H new ATOM 0 HE3 MET A 27 8.415 -5.011 0.240 1.00 2.26 H new ATOM 400 N TRP A 28 8.413 -8.676 6.383 1.00 0.72 N ATOM 401 CA TRP A 28 9.271 -9.518 7.210 1.00 0.84 C ATOM 402 C TRP A 28 9.006 -11.003 6.983 1.00 1.01 C ATOM 403 O TRP A 28 8.115 -11.593 7.579 1.00 1.86 O ATOM 404 CB TRP A 28 9.165 -9.139 8.698 1.00 1.06 C ATOM 405 CG TRP A 28 7.892 -9.539 9.391 1.00 0.93 C ATOM 406 CD1 TRP A 28 7.565 -10.773 9.869 1.00 1.03 C ATOM 407 CD2 TRP A 28 6.793 -8.686 9.720 1.00 0.99 C ATOM 408 NE1 TRP A 28 6.337 -10.741 10.473 1.00 1.13 N ATOM 409 CE2 TRP A 28 5.843 -9.471 10.394 1.00 1.13 C ATOM 410 CE3 TRP A 28 6.519 -7.337 9.510 1.00 1.14 C ATOM 411 CZ2 TRP A 28 4.644 -8.950 10.860 1.00 1.39 C ATOM 412 CZ3 TRP A 28 5.322 -6.818 9.974 1.00 1.40 C ATOM 413 CH2 TRP A 28 4.399 -7.625 10.644 1.00 1.51 C ATOM 0 H TRP A 28 7.456 -9.010 6.272 1.00 0.72 H new ATOM 0 HA TRP A 28 10.299 -9.332 6.899 1.00 0.84 H new ATOM 0 HB2 TRP A 28 10.002 -9.593 9.229 1.00 1.06 H new ATOM 0 HB3 TRP A 28 9.279 -8.059 8.786 1.00 1.06 H new ATOM 0 HD1 TRP A 28 8.187 -11.652 9.783 1.00 1.03 H new ATOM 0 HE1 TRP A 28 5.869 -11.535 10.910 1.00 1.13 H new ATOM 0 HE3 TRP A 28 7.228 -6.706 8.994 1.00 1.14 H new ATOM 0 HZ2 TRP A 28 3.928 -9.573 11.377 1.00 1.39 H new ATOM 0 HZ3 TRP A 28 5.098 -5.773 9.816 1.00 1.40 H new ATOM 0 HH2 TRP A 28 3.475 -7.192 10.997 1.00 1.51 H new ATOM 424 N CYS A 29 9.820 -11.579 6.095 1.00 0.78 N ATOM 425 CA CYS A 29 9.765 -12.988 5.710 1.00 1.08 C ATOM 426 C CYS A 29 9.958 -13.109 4.208 1.00 1.23 C ATOM 427 O CYS A 29 10.903 -13.748 3.744 1.00 1.76 O ATOM 428 CB CYS A 29 8.461 -13.659 6.119 1.00 1.22 C ATOM 429 SG CYS A 29 8.432 -15.454 5.790 1.00 2.01 S ATOM 0 H CYS A 29 10.555 -11.063 5.612 1.00 0.78 H new ATOM 0 HA CYS A 29 10.567 -13.502 6.239 1.00 1.08 H new ATOM 0 HB2 CYS A 29 8.292 -13.490 7.182 1.00 1.22 H new ATOM 0 HB3 CYS A 29 7.636 -13.187 5.586 1.00 1.22 H new ATOM 434 N ASP A 30 9.074 -12.467 3.445 1.00 1.09 N ATOM 435 CA ASP A 30 9.171 -12.485 1.991 1.00 1.49 C ATOM 436 C ASP A 30 9.426 -13.895 1.461 1.00 1.84 C ATOM 437 O ASP A 30 9.331 -14.871 2.206 1.00 2.08 O ATOM 438 CB ASP A 30 10.284 -11.533 1.562 1.00 1.82 C ATOM 439 CG ASP A 30 9.995 -10.852 0.239 1.00 2.16 C ATOM 440 OD1 ASP A 30 9.239 -11.428 -0.572 1.00 2.17 O ATOM 441 OD2 ASP A 30 10.524 -9.742 0.012 1.00 2.87 O ATOM 0 H ASP A 30 8.287 -11.931 3.810 1.00 1.09 H new ATOM 0 HA ASP A 30 8.222 -12.157 1.568 1.00 1.49 H new ATOM 0 HB2 ASP A 30 10.425 -10.775 2.333 1.00 1.82 H new ATOM 0 HB3 ASP A 30 11.220 -12.087 1.484 1.00 1.82 H new ATOM 446 N ALA A 31 9.738 -13.998 0.173 1.00 2.10 N ATOM 447 CA ALA A 31 9.991 -15.292 -0.448 1.00 2.57 C ATOM 448 C ALA A 31 8.705 -16.111 -0.518 1.00 2.31 C ATOM 449 O ALA A 31 8.129 -16.289 -1.590 1.00 2.80 O ATOM 450 CB ALA A 31 11.070 -16.051 0.313 1.00 3.06 C ATOM 0 H ALA A 31 9.821 -13.202 -0.459 1.00 2.10 H new ATOM 0 HA ALA A 31 10.346 -15.122 -1.464 1.00 2.57 H new ATOM 0 HB1 ALA A 31 11.244 -17.014 -0.166 1.00 3.06 H new ATOM 0 HB2 ALA A 31 11.993 -15.472 0.310 1.00 3.06 H new ATOM 0 HB3 ALA A 31 10.746 -16.211 1.341 1.00 3.06 H new ATOM 456 N PHE A 32 8.256 -16.596 0.636 1.00 2.03 N ATOM 457 CA PHE A 32 7.029 -17.385 0.710 1.00 2.15 C ATOM 458 C PHE A 32 6.725 -17.806 2.147 1.00 1.81 C ATOM 459 O PHE A 32 7.177 -18.855 2.605 1.00 2.10 O ATOM 460 CB PHE A 32 7.113 -18.628 -0.190 1.00 2.88 C ATOM 461 CG PHE A 32 8.512 -19.055 -0.535 1.00 3.55 C ATOM 462 CD1 PHE A 32 9.335 -19.628 0.423 1.00 3.90 C ATOM 463 CD2 PHE A 32 9.005 -18.884 -1.819 1.00 4.39 C ATOM 464 CE1 PHE A 32 10.622 -20.023 0.103 1.00 4.89 C ATOM 465 CE2 PHE A 32 10.289 -19.276 -2.143 1.00 5.34 C ATOM 466 CZ PHE A 32 11.098 -19.847 -1.180 1.00 5.54 C ATOM 0 H PHE A 32 8.723 -16.457 1.532 1.00 2.03 H new ATOM 0 HA PHE A 32 6.217 -16.750 0.355 1.00 2.15 H new ATOM 0 HB2 PHE A 32 6.606 -19.455 0.307 1.00 2.88 H new ATOM 0 HB3 PHE A 32 6.569 -18.430 -1.114 1.00 2.88 H new ATOM 0 HD1 PHE A 32 8.968 -19.767 1.429 1.00 3.90 H new ATOM 0 HD2 PHE A 32 8.377 -18.438 -2.576 1.00 4.39 H new ATOM 0 HE1 PHE A 32 11.254 -20.469 0.857 1.00 4.89 H new ATOM 0 HE2 PHE A 32 10.660 -19.136 -3.148 1.00 5.34 H new ATOM 0 HZ PHE A 32 12.102 -20.155 -1.431 1.00 5.54 H new ATOM 476 N CYS A 33 5.941 -16.988 2.845 1.00 1.48 N ATOM 477 CA CYS A 33 5.556 -17.282 4.225 1.00 1.52 C ATOM 478 C CYS A 33 4.180 -17.942 4.265 1.00 1.57 C ATOM 479 O CYS A 33 3.519 -17.961 5.302 1.00 2.29 O ATOM 480 CB CYS A 33 5.549 -16.006 5.075 1.00 1.89 C ATOM 481 SG CYS A 33 6.645 -16.069 6.527 1.00 2.00 S ATOM 0 H CYS A 33 5.559 -16.116 2.479 1.00 1.48 H new ATOM 0 HA CYS A 33 6.292 -17.970 4.641 1.00 1.52 H new ATOM 0 HB2 CYS A 33 5.843 -15.164 4.448 1.00 1.89 H new ATOM 0 HB3 CYS A 33 4.530 -15.813 5.411 1.00 1.89 H new ATOM 486 N SER A 34 3.765 -18.491 3.122 1.00 1.46 N ATOM 487 CA SER A 34 2.476 -19.172 2.999 1.00 1.71 C ATOM 488 C SER A 34 1.316 -18.192 2.807 1.00 1.29 C ATOM 489 O SER A 34 1.003 -17.400 3.694 1.00 1.73 O ATOM 490 CB SER A 34 2.209 -20.051 4.225 1.00 2.39 C ATOM 491 OG SER A 34 1.260 -21.062 3.932 1.00 3.26 O ATOM 0 H SER A 34 4.310 -18.476 2.260 1.00 1.46 H new ATOM 0 HA SER A 34 2.536 -19.797 2.108 1.00 1.71 H new ATOM 0 HB2 SER A 34 3.141 -20.508 4.558 1.00 2.39 H new ATOM 0 HB3 SER A 34 1.845 -19.434 5.046 1.00 2.39 H new ATOM 0 HG SER A 34 1.109 -21.610 4.730 1.00 3.26 H new ATOM 497 N SER A 35 0.664 -18.292 1.648 1.00 1.18 N ATOM 498 CA SER A 35 -0.498 -17.462 1.315 1.00 1.15 C ATOM 499 C SER A 35 -0.137 -16.022 0.945 1.00 1.15 C ATOM 500 O SER A 35 -0.145 -15.656 -0.231 1.00 1.62 O ATOM 501 CB SER A 35 -1.502 -17.457 2.475 1.00 1.44 C ATOM 502 OG SER A 35 -2.723 -18.069 2.093 1.00 1.93 O ATOM 0 H SER A 35 0.925 -18.950 0.913 1.00 1.18 H new ATOM 0 HA SER A 35 -0.945 -17.914 0.429 1.00 1.15 H new ATOM 0 HB2 SER A 35 -1.078 -17.985 3.330 1.00 1.44 H new ATOM 0 HB3 SER A 35 -1.689 -16.432 2.794 1.00 1.44 H new ATOM 0 HG SER A 35 -3.346 -18.055 2.849 1.00 1.93 H new ATOM 508 N ARG A 36 0.128 -15.195 1.952 1.00 1.06 N ATOM 509 CA ARG A 36 0.431 -13.784 1.724 1.00 1.09 C ATOM 510 C ARG A 36 1.931 -13.521 1.620 1.00 1.13 C ATOM 511 O ARG A 36 2.438 -12.522 2.127 1.00 1.71 O ATOM 512 CB ARG A 36 -0.182 -12.927 2.840 1.00 1.10 C ATOM 513 CG ARG A 36 -1.326 -11.991 2.416 1.00 0.90 C ATOM 514 CD ARG A 36 -1.981 -12.420 1.101 1.00 1.67 C ATOM 515 NE ARG A 36 -2.346 -13.837 1.085 1.00 2.63 N ATOM 516 CZ ARG A 36 -3.160 -14.380 0.183 1.00 3.41 C ATOM 517 NH1 ARG A 36 -3.693 -13.634 -0.776 1.00 3.43 N ATOM 518 NH2 ARG A 36 -3.441 -15.675 0.237 1.00 4.49 N ATOM 0 H ARG A 36 0.139 -15.476 2.932 1.00 1.06 H new ATOM 0 HA ARG A 36 -0.011 -13.508 0.766 1.00 1.09 H new ATOM 0 HB2 ARG A 36 -0.553 -13.592 3.620 1.00 1.10 H new ATOM 0 HB3 ARG A 36 0.609 -12.324 3.285 1.00 1.10 H new ATOM 0 HG2 ARG A 36 -2.081 -11.966 3.202 1.00 0.90 H new ATOM 0 HG3 ARG A 36 -0.941 -10.977 2.312 1.00 0.90 H new ATOM 0 HD2 ARG A 36 -2.874 -11.818 0.932 1.00 1.67 H new ATOM 0 HD3 ARG A 36 -1.298 -12.216 0.277 1.00 1.67 H new ATOM 0 HE ARG A 36 -1.954 -14.443 1.806 1.00 2.63 H new ATOM 0 HH11 ARG A 36 -3.480 -12.638 -0.825 1.00 3.43 H new ATOM 0 HH12 ARG A 36 -4.316 -14.057 -1.464 1.00 3.43 H new ATOM 0 HH21 ARG A 36 -3.033 -16.255 0.970 1.00 4.49 H new ATOM 0 HH22 ARG A 36 -4.065 -16.091 -0.455 1.00 4.49 H new ATOM 532 N GLY A 37 2.626 -14.412 0.936 1.00 0.96 N ATOM 533 CA GLY A 37 4.059 -14.261 0.728 1.00 1.04 C ATOM 534 C GLY A 37 4.835 -13.795 1.955 1.00 1.12 C ATOM 535 O GLY A 37 5.296 -14.612 2.739 1.00 1.71 O ATOM 0 H GLY A 37 2.223 -15.249 0.514 1.00 0.96 H new ATOM 0 HA2 GLY A 37 4.467 -15.216 0.398 1.00 1.04 H new ATOM 0 HA3 GLY A 37 4.222 -13.548 -0.080 1.00 1.04 H new ATOM 539 N LYS A 38 5.015 -12.481 2.097 1.00 1.05 N ATOM 540 CA LYS A 38 5.788 -11.932 3.220 1.00 1.17 C ATOM 541 C LYS A 38 4.949 -11.667 4.464 1.00 1.21 C ATOM 542 O LYS A 38 4.849 -12.496 5.361 1.00 2.19 O ATOM 543 CB LYS A 38 6.536 -10.639 2.826 1.00 1.41 C ATOM 544 CG LYS A 38 5.978 -9.913 1.614 1.00 2.21 C ATOM 545 CD LYS A 38 6.695 -10.341 0.350 1.00 2.86 C ATOM 546 CE LYS A 38 6.015 -9.801 -0.897 1.00 3.70 C ATOM 547 NZ LYS A 38 6.731 -8.618 -1.455 1.00 4.40 N ATOM 0 H LYS A 38 4.641 -11.780 1.457 1.00 1.05 H new ATOM 0 HA LYS A 38 6.511 -12.710 3.467 1.00 1.17 H new ATOM 0 HB2 LYS A 38 6.522 -9.957 3.676 1.00 1.41 H new ATOM 0 HB3 LYS A 38 7.580 -10.887 2.633 1.00 1.41 H new ATOM 0 HG2 LYS A 38 4.912 -10.120 1.520 1.00 2.21 H new ATOM 0 HG3 LYS A 38 6.083 -8.837 1.750 1.00 2.21 H new ATOM 0 HD2 LYS A 38 7.727 -9.991 0.381 1.00 2.86 H new ATOM 0 HD3 LYS A 38 6.729 -11.429 0.303 1.00 2.86 H new ATOM 0 HE2 LYS A 38 5.967 -10.585 -1.652 1.00 3.70 H new ATOM 0 HE3 LYS A 38 4.988 -9.524 -0.659 1.00 3.70 H new ATOM 0 HZ1 LYS A 38 6.387 -8.426 -2.417 1.00 4.40 H new ATOM 0 HZ2 LYS A 38 6.554 -7.789 -0.852 1.00 4.40 H new ATOM 0 HZ3 LYS A 38 7.752 -8.813 -1.485 1.00 4.40 H new ATOM 561 N VAL A 39 4.422 -10.465 4.517 1.00 0.75 N ATOM 562 CA VAL A 39 3.633 -9.963 5.645 1.00 0.72 C ATOM 563 C VAL A 39 3.428 -8.470 5.437 1.00 0.79 C ATOM 564 O VAL A 39 2.355 -7.914 5.665 1.00 1.70 O ATOM 565 CB VAL A 39 4.345 -10.203 7.010 1.00 0.80 C ATOM 566 CG1 VAL A 39 5.823 -10.449 6.838 1.00 0.78 C ATOM 567 CG2 VAL A 39 4.114 -9.062 7.986 1.00 0.95 C ATOM 0 H VAL A 39 4.526 -9.784 3.764 1.00 0.75 H new ATOM 0 HA VAL A 39 2.684 -10.498 5.679 1.00 0.72 H new ATOM 0 HB VAL A 39 3.895 -11.102 7.431 1.00 0.80 H new ATOM 0 HG11 VAL A 39 6.281 -10.612 7.814 1.00 0.78 H new ATOM 0 HG12 VAL A 39 5.975 -11.330 6.215 1.00 0.78 H new ATOM 0 HG13 VAL A 39 6.283 -9.583 6.361 1.00 0.78 H new ATOM 0 HG21 VAL A 39 4.629 -9.274 8.923 1.00 0.95 H new ATOM 0 HG22 VAL A 39 4.501 -8.136 7.561 1.00 0.95 H new ATOM 0 HG23 VAL A 39 3.046 -8.956 8.176 1.00 0.95 H new ATOM 577 N VAL A 40 4.495 -7.855 4.965 1.00 0.89 N ATOM 578 CA VAL A 40 4.536 -6.443 4.641 1.00 0.85 C ATOM 579 C VAL A 40 3.924 -5.526 5.695 1.00 0.98 C ATOM 580 O VAL A 40 3.428 -5.954 6.736 1.00 1.50 O ATOM 581 CB VAL A 40 3.861 -6.188 3.286 1.00 0.85 C ATOM 582 CG1 VAL A 40 4.463 -7.117 2.246 1.00 0.85 C ATOM 583 CG2 VAL A 40 2.356 -6.385 3.384 1.00 1.30 C ATOM 0 H VAL A 40 5.378 -8.335 4.792 1.00 0.89 H new ATOM 0 HA VAL A 40 5.596 -6.191 4.602 1.00 0.85 H new ATOM 0 HB VAL A 40 4.036 -5.154 2.987 1.00 0.85 H new ATOM 0 HG11 VAL A 40 3.987 -6.940 1.281 1.00 0.85 H new ATOM 0 HG12 VAL A 40 5.533 -6.926 2.163 1.00 0.85 H new ATOM 0 HG13 VAL A 40 4.301 -8.152 2.546 1.00 0.85 H new ATOM 0 HG21 VAL A 40 1.901 -6.199 2.411 1.00 1.30 H new ATOM 0 HG22 VAL A 40 2.142 -7.408 3.695 1.00 1.30 H new ATOM 0 HG23 VAL A 40 1.945 -5.690 4.116 1.00 1.30 H new ATOM 593 N GLU A 41 4.005 -4.245 5.369 1.00 1.20 N ATOM 594 CA GLU A 41 3.518 -3.147 6.184 1.00 1.47 C ATOM 595 C GLU A 41 3.989 -1.855 5.535 1.00 1.04 C ATOM 596 O GLU A 41 5.002 -1.269 5.923 1.00 1.45 O ATOM 597 CB GLU A 41 4.038 -3.235 7.614 1.00 1.99 C ATOM 598 CG GLU A 41 3.092 -3.952 8.561 1.00 2.53 C ATOM 599 CD GLU A 41 2.953 -3.245 9.897 1.00 3.25 C ATOM 600 OE1 GLU A 41 3.042 -2.000 9.922 1.00 3.63 O ATOM 601 OE2 GLU A 41 2.753 -3.938 10.917 1.00 3.85 O ATOM 0 H GLU A 41 4.428 -3.932 4.495 1.00 1.20 H new ATOM 0 HA GLU A 41 2.430 -3.186 6.239 1.00 1.47 H new ATOM 0 HB2 GLU A 41 4.998 -3.752 7.612 1.00 1.99 H new ATOM 0 HB3 GLU A 41 4.219 -2.228 7.989 1.00 1.99 H new ATOM 0 HG2 GLU A 41 2.110 -4.034 8.094 1.00 2.53 H new ATOM 0 HG3 GLU A 41 3.452 -4.967 8.728 1.00 2.53 H new ATOM 608 N LEU A 42 3.277 -1.460 4.498 1.00 0.67 N ATOM 609 CA LEU A 42 3.630 -0.271 3.730 1.00 1.06 C ATOM 610 C LEU A 42 3.017 1.008 4.294 1.00 0.83 C ATOM 611 O LEU A 42 2.024 0.985 5.020 1.00 1.09 O ATOM 612 CB LEU A 42 3.226 -0.436 2.257 1.00 1.92 C ATOM 613 CG LEU A 42 1.823 -1.006 1.995 1.00 2.75 C ATOM 614 CD1 LEU A 42 1.846 -2.529 2.020 1.00 3.67 C ATOM 615 CD2 LEU A 42 0.812 -0.466 2.999 1.00 3.27 C ATOM 0 H LEU A 42 2.445 -1.945 4.162 1.00 0.67 H new ATOM 0 HA LEU A 42 4.713 -0.170 3.805 1.00 1.06 H new ATOM 0 HB2 LEU A 42 3.296 0.538 1.772 1.00 1.92 H new ATOM 0 HB3 LEU A 42 3.955 -1.086 1.773 1.00 1.92 H new ATOM 0 HG LEU A 42 1.512 -0.684 1.001 1.00 2.75 H new ATOM 0 HD11 LEU A 42 0.843 -2.911 1.832 1.00 3.67 H new ATOM 0 HD12 LEU A 42 2.524 -2.895 1.249 1.00 3.67 H new ATOM 0 HD13 LEU A 42 2.188 -2.872 2.997 1.00 3.67 H new ATOM 0 HD21 LEU A 42 -0.171 -0.887 2.788 1.00 3.27 H new ATOM 0 HD22 LEU A 42 1.117 -0.744 4.008 1.00 3.27 H new ATOM 0 HD23 LEU A 42 0.766 0.620 2.920 1.00 3.27 H new ATOM 627 N GLY A 43 3.638 2.123 3.924 1.00 0.70 N ATOM 628 CA GLY A 43 3.204 3.439 4.342 1.00 0.68 C ATOM 629 C GLY A 43 3.774 4.501 3.419 1.00 0.67 C ATOM 630 O GLY A 43 3.821 4.303 2.203 1.00 0.87 O ATOM 0 H GLY A 43 4.461 2.132 3.322 1.00 0.70 H new ATOM 0 HA2 GLY A 43 2.115 3.489 4.336 1.00 0.68 H new ATOM 0 HA3 GLY A 43 3.526 3.627 5.366 1.00 0.68 H new ATOM 634 N CYS A 44 4.234 5.613 3.979 1.00 0.62 N ATOM 635 CA CYS A 44 4.819 6.671 3.159 1.00 0.67 C ATOM 636 C CYS A 44 6.140 7.165 3.744 1.00 0.76 C ATOM 637 O CYS A 44 6.293 7.275 4.961 1.00 0.97 O ATOM 638 CB CYS A 44 3.844 7.839 2.996 1.00 0.87 C ATOM 639 SG CYS A 44 4.244 8.930 1.591 1.00 1.28 S ATOM 0 H CYS A 44 4.215 5.806 4.980 1.00 0.62 H new ATOM 0 HA CYS A 44 5.021 6.246 2.176 1.00 0.67 H new ATOM 0 HB2 CYS A 44 2.836 7.445 2.864 1.00 0.87 H new ATOM 0 HB3 CYS A 44 3.839 8.428 3.913 1.00 0.87 H new ATOM 644 N ALA A 45 7.090 7.465 2.859 1.00 0.73 N ATOM 645 CA ALA A 45 8.402 7.953 3.265 1.00 0.93 C ATOM 646 C ALA A 45 8.819 9.142 2.405 1.00 0.87 C ATOM 647 O ALA A 45 8.060 9.590 1.547 1.00 0.86 O ATOM 648 CB ALA A 45 9.436 6.840 3.174 1.00 1.14 C ATOM 0 H ALA A 45 6.971 7.377 1.850 1.00 0.73 H new ATOM 0 HA ALA A 45 8.342 8.283 4.302 1.00 0.93 H new ATOM 0 HB1 ALA A 45 10.410 7.222 3.481 1.00 1.14 H new ATOM 0 HB2 ALA A 45 9.145 6.019 3.829 1.00 1.14 H new ATOM 0 HB3 ALA A 45 9.494 6.481 2.147 1.00 1.14 H new ATOM 654 N ALA A 46 10.019 9.656 2.642 1.00 1.03 N ATOM 655 CA ALA A 46 10.515 10.801 1.885 1.00 1.10 C ATOM 656 C ALA A 46 11.722 10.436 1.028 1.00 1.00 C ATOM 657 O ALA A 46 11.909 10.984 -0.057 1.00 1.04 O ATOM 658 CB ALA A 46 10.866 11.939 2.830 1.00 1.43 C ATOM 0 H ALA A 46 10.665 9.302 3.348 1.00 1.03 H new ATOM 0 HA ALA A 46 9.720 11.122 1.212 1.00 1.10 H new ATOM 0 HB1 ALA A 46 11.235 12.788 2.255 1.00 1.43 H new ATOM 0 HB2 ALA A 46 9.978 12.236 3.387 1.00 1.43 H new ATOM 0 HB3 ALA A 46 11.637 11.609 3.526 1.00 1.43 H new ATOM 664 N THR A 47 12.552 9.523 1.524 1.00 1.08 N ATOM 665 CA THR A 47 13.752 9.118 0.793 1.00 1.13 C ATOM 666 C THR A 47 13.946 7.602 0.783 1.00 1.23 C ATOM 667 O THR A 47 14.641 7.069 -0.081 1.00 1.75 O ATOM 668 CB THR A 47 14.981 9.782 1.405 1.00 1.32 C ATOM 669 OG1 THR A 47 14.751 11.164 1.622 1.00 1.83 O ATOM 670 CG2 THR A 47 16.224 9.649 0.550 1.00 1.85 C ATOM 0 H THR A 47 12.420 9.053 2.419 1.00 1.08 H new ATOM 0 HA THR A 47 13.622 9.441 -0.240 1.00 1.13 H new ATOM 0 HB THR A 47 15.152 9.259 2.346 1.00 1.32 H new ATOM 0 HG1 THR A 47 15.551 11.571 2.016 1.00 1.83 H new ATOM 0 HG21 THR A 47 17.060 10.143 1.044 1.00 1.85 H new ATOM 0 HG22 THR A 47 16.458 8.594 0.410 1.00 1.85 H new ATOM 0 HG23 THR A 47 16.050 10.114 -0.420 1.00 1.85 H new ATOM 678 N CYS A 48 13.344 6.915 1.751 1.00 1.40 N ATOM 679 CA CYS A 48 13.460 5.458 1.862 1.00 1.65 C ATOM 680 C CYS A 48 14.754 5.065 2.574 1.00 1.43 C ATOM 681 O CYS A 48 15.776 4.817 1.932 1.00 1.73 O ATOM 682 CB CYS A 48 13.408 4.793 0.482 1.00 2.35 C ATOM 683 SG CYS A 48 12.938 3.035 0.522 1.00 2.33 S ATOM 0 H CYS A 48 12.767 7.344 2.475 1.00 1.40 H new ATOM 0 HA CYS A 48 12.613 5.108 2.451 1.00 1.65 H new ATOM 0 HB2 CYS A 48 12.698 5.334 -0.144 1.00 2.35 H new ATOM 0 HB3 CYS A 48 14.385 4.886 0.009 1.00 2.35 H new ATOM 688 N PRO A 49 14.725 5.003 3.916 1.00 1.66 N ATOM 689 CA PRO A 49 15.891 4.638 4.723 1.00 2.03 C ATOM 690 C PRO A 49 16.063 3.123 4.837 1.00 1.93 C ATOM 691 O PRO A 49 15.604 2.380 3.970 1.00 2.63 O ATOM 692 CB PRO A 49 15.556 5.257 6.078 1.00 2.86 C ATOM 693 CG PRO A 49 14.070 5.178 6.168 1.00 3.04 C ATOM 694 CD PRO A 49 13.545 5.283 4.758 1.00 2.28 C ATOM 0 HA PRO A 49 16.831 4.988 4.296 1.00 2.03 H new ATOM 0 HB2 PRO A 49 16.032 4.711 6.892 1.00 2.86 H new ATOM 0 HB3 PRO A 49 15.903 6.288 6.140 1.00 2.86 H new ATOM 0 HG2 PRO A 49 13.759 4.240 6.628 1.00 3.04 H new ATOM 0 HG3 PRO A 49 13.676 5.983 6.789 1.00 3.04 H new ATOM 0 HD2 PRO A 49 12.745 4.565 4.575 1.00 2.28 H new ATOM 0 HD3 PRO A 49 13.137 6.273 4.557 1.00 2.28 H new ATOM 702 N SER A 50 16.723 2.679 5.914 1.00 1.76 N ATOM 703 CA SER A 50 16.965 1.254 6.177 1.00 2.00 C ATOM 704 C SER A 50 18.376 0.840 5.759 1.00 1.81 C ATOM 705 O SER A 50 18.986 1.452 4.882 1.00 1.83 O ATOM 706 CB SER A 50 15.930 0.361 5.480 1.00 2.73 C ATOM 707 OG SER A 50 16.331 0.046 4.156 1.00 3.18 O ATOM 0 H SER A 50 17.105 3.298 6.629 1.00 1.76 H new ATOM 0 HA SER A 50 16.866 1.115 7.254 1.00 2.00 H new ATOM 0 HB2 SER A 50 15.796 -0.558 6.050 1.00 2.73 H new ATOM 0 HB3 SER A 50 14.965 0.867 5.460 1.00 2.73 H new ATOM 0 HG SER A 50 16.042 0.759 3.548 1.00 3.18 H new ATOM 713 N LYS A 51 18.878 -0.209 6.404 1.00 2.00 N ATOM 714 CA LYS A 51 20.212 -0.733 6.128 1.00 2.22 C ATOM 715 C LYS A 51 20.372 -2.105 6.772 1.00 2.20 C ATOM 716 O LYS A 51 20.229 -2.244 7.987 1.00 2.41 O ATOM 717 CB LYS A 51 21.282 0.223 6.656 1.00 2.64 C ATOM 718 CG LYS A 51 21.234 0.410 8.164 1.00 2.64 C ATOM 719 CD LYS A 51 21.865 1.729 8.583 1.00 3.16 C ATOM 720 CE LYS A 51 21.038 2.427 9.648 1.00 3.17 C ATOM 721 NZ LYS A 51 21.724 3.636 10.181 1.00 3.40 N ATOM 0 H LYS A 51 18.374 -0.718 7.130 1.00 2.00 H new ATOM 0 HA LYS A 51 20.335 -0.828 5.049 1.00 2.22 H new ATOM 0 HB2 LYS A 51 22.266 -0.154 6.375 1.00 2.64 H new ATOM 0 HB3 LYS A 51 21.162 1.193 6.173 1.00 2.64 H new ATOM 0 HG2 LYS A 51 20.199 0.377 8.503 1.00 2.64 H new ATOM 0 HG3 LYS A 51 21.755 -0.415 8.651 1.00 2.64 H new ATOM 0 HD2 LYS A 51 22.871 1.548 8.962 1.00 3.16 H new ATOM 0 HD3 LYS A 51 21.964 2.379 7.714 1.00 3.16 H new ATOM 0 HE2 LYS A 51 20.073 2.712 9.229 1.00 3.17 H new ATOM 0 HE3 LYS A 51 20.838 1.733 10.465 1.00 3.17 H new ATOM 0 HZ1 LYS A 51 21.126 4.083 10.905 1.00 3.40 H new ATOM 0 HZ2 LYS A 51 22.633 3.361 10.604 1.00 3.40 H new ATOM 0 HZ3 LYS A 51 21.892 4.310 9.407 1.00 3.40 H new ATOM 735 N LYS A 52 20.640 -3.120 5.949 1.00 2.49 N ATOM 736 CA LYS A 52 20.790 -4.499 6.426 1.00 2.62 C ATOM 737 C LYS A 52 19.810 -4.802 7.565 1.00 2.34 C ATOM 738 O LYS A 52 20.207 -5.281 8.627 1.00 2.60 O ATOM 739 CB LYS A 52 22.232 -4.773 6.875 1.00 3.22 C ATOM 740 CG LYS A 52 22.922 -3.594 7.546 1.00 3.27 C ATOM 741 CD LYS A 52 23.534 -2.644 6.527 1.00 3.32 C ATOM 742 CE LYS A 52 24.560 -3.345 5.651 1.00 3.49 C ATOM 743 NZ LYS A 52 25.451 -4.242 6.441 1.00 3.70 N ATOM 0 H LYS A 52 20.759 -3.013 4.942 1.00 2.49 H new ATOM 0 HA LYS A 52 20.558 -5.161 5.592 1.00 2.62 H new ATOM 0 HB2 LYS A 52 22.229 -5.616 7.565 1.00 3.22 H new ATOM 0 HB3 LYS A 52 22.818 -5.074 6.007 1.00 3.22 H new ATOM 0 HG2 LYS A 52 22.202 -3.053 8.161 1.00 3.27 H new ATOM 0 HG3 LYS A 52 23.701 -3.961 8.215 1.00 3.27 H new ATOM 0 HD2 LYS A 52 22.746 -2.225 5.901 1.00 3.32 H new ATOM 0 HD3 LYS A 52 24.007 -1.810 7.045 1.00 3.32 H new ATOM 0 HE2 LYS A 52 24.046 -3.927 4.886 1.00 3.49 H new ATOM 0 HE3 LYS A 52 25.163 -2.600 5.133 1.00 3.49 H new ATOM 0 HZ1 LYS A 52 26.272 -4.513 5.863 1.00 3.70 H new ATOM 0 HZ2 LYS A 52 25.777 -3.744 7.294 1.00 3.70 H new ATOM 0 HZ3 LYS A 52 24.926 -5.096 6.718 1.00 3.70 H new ATOM 757 N PRO A 53 18.508 -4.516 7.355 1.00 1.90 N ATOM 758 CA PRO A 53 17.461 -4.748 8.360 1.00 1.72 C ATOM 759 C PRO A 53 17.032 -6.193 8.451 1.00 1.80 C ATOM 760 O PRO A 53 16.129 -6.523 9.220 1.00 2.40 O ATOM 761 CB PRO A 53 16.251 -3.955 7.816 1.00 1.32 C ATOM 762 CG PRO A 53 16.772 -3.162 6.664 1.00 1.43 C ATOM 763 CD PRO A 53 17.934 -3.938 6.130 1.00 1.73 C ATOM 0 HA PRO A 53 17.820 -4.458 9.348 1.00 1.72 H new ATOM 0 HB2 PRO A 53 15.453 -4.627 7.500 1.00 1.32 H new ATOM 0 HB3 PRO A 53 15.833 -3.303 8.583 1.00 1.32 H new ATOM 0 HG2 PRO A 53 16.005 -3.031 5.901 1.00 1.43 H new ATOM 0 HG3 PRO A 53 17.080 -2.166 6.982 1.00 1.43 H new ATOM 0 HD2 PRO A 53 17.621 -4.707 5.424 1.00 1.73 H new ATOM 0 HD3 PRO A 53 18.646 -3.298 5.609 1.00 1.73 H new ATOM 771 N TYR A 54 17.580 -7.041 7.588 1.00 1.65 N ATOM 772 CA TYR A 54 17.115 -8.413 7.529 1.00 1.79 C ATOM 773 C TYR A 54 15.639 -8.339 7.138 1.00 1.31 C ATOM 774 O TYR A 54 14.869 -9.284 7.313 1.00 1.54 O ATOM 775 CB TYR A 54 17.286 -9.127 8.875 1.00 2.24 C ATOM 776 CG TYR A 54 18.727 -9.422 9.226 1.00 2.75 C ATOM 777 CD1 TYR A 54 19.622 -9.856 8.257 1.00 3.03 C ATOM 778 CD2 TYR A 54 19.191 -9.266 10.526 1.00 3.48 C ATOM 779 CE1 TYR A 54 20.940 -10.126 8.573 1.00 3.63 C ATOM 780 CE2 TYR A 54 20.508 -9.532 10.850 1.00 4.17 C ATOM 781 CZ TYR A 54 21.377 -9.961 9.870 1.00 4.11 C ATOM 782 OH TYR A 54 22.689 -10.229 10.188 1.00 4.87 O ATOM 0 H TYR A 54 18.329 -6.807 6.936 1.00 1.65 H new ATOM 0 HA TYR A 54 17.695 -8.989 6.808 1.00 1.79 H new ATOM 0 HB2 TYR A 54 16.848 -8.512 9.661 1.00 2.24 H new ATOM 0 HB3 TYR A 54 16.727 -10.063 8.854 1.00 2.24 H new ATOM 0 HD1 TYR A 54 19.283 -9.985 7.240 1.00 3.03 H new ATOM 0 HD2 TYR A 54 18.512 -8.931 11.296 1.00 3.48 H new ATOM 0 HE1 TYR A 54 21.624 -10.464 7.808 1.00 3.63 H new ATOM 0 HE2 TYR A 54 20.854 -9.404 11.865 1.00 4.17 H new ATOM 0 HH TYR A 54 22.835 -10.061 11.142 1.00 4.87 H new ATOM 792 N GLU A 55 15.277 -7.157 6.613 1.00 1.05 N ATOM 793 CA GLU A 55 13.934 -6.840 6.183 1.00 1.20 C ATOM 794 C GLU A 55 13.945 -6.512 4.695 1.00 1.91 C ATOM 795 O GLU A 55 14.234 -7.379 3.872 1.00 2.79 O ATOM 796 CB GLU A 55 13.386 -5.675 7.018 1.00 1.54 C ATOM 797 CG GLU A 55 11.898 -5.438 6.844 1.00 1.94 C ATOM 798 CD GLU A 55 11.484 -4.037 7.247 1.00 2.50 C ATOM 799 OE1 GLU A 55 11.937 -3.073 6.593 1.00 3.22 O ATOM 800 OE2 GLU A 55 10.710 -3.902 8.218 1.00 2.88 O ATOM 0 H GLU A 55 15.935 -6.389 6.479 1.00 1.05 H new ATOM 0 HA GLU A 55 13.277 -7.696 6.336 1.00 1.20 H new ATOM 0 HB2 GLU A 55 13.592 -5.867 8.071 1.00 1.54 H new ATOM 0 HB3 GLU A 55 13.922 -4.765 6.749 1.00 1.54 H new ATOM 0 HG2 GLU A 55 11.625 -5.609 5.803 1.00 1.94 H new ATOM 0 HG3 GLU A 55 11.345 -6.163 7.441 1.00 1.94 H new ATOM 807 N GLU A 56 13.649 -5.257 4.370 1.00 1.72 N ATOM 808 CA GLU A 56 13.637 -4.764 2.982 1.00 2.56 C ATOM 809 C GLU A 56 12.415 -3.891 2.726 1.00 2.26 C ATOM 810 O GLU A 56 11.289 -4.278 3.042 1.00 2.25 O ATOM 811 CB GLU A 56 13.666 -5.914 1.966 1.00 3.34 C ATOM 812 CG GLU A 56 13.435 -5.478 0.528 1.00 4.41 C ATOM 813 CD GLU A 56 13.554 -6.628 -0.451 1.00 5.26 C ATOM 814 OE1 GLU A 56 14.651 -7.218 -0.542 1.00 5.85 O ATOM 815 OE2 GLU A 56 12.551 -6.941 -1.125 1.00 5.66 O ATOM 0 H GLU A 56 13.409 -4.545 5.059 1.00 1.72 H new ATOM 0 HA GLU A 56 14.540 -4.168 2.851 1.00 2.56 H new ATOM 0 HB2 GLU A 56 14.630 -6.418 2.031 1.00 3.34 H new ATOM 0 HB3 GLU A 56 12.905 -6.645 2.239 1.00 3.34 H new ATOM 0 HG2 GLU A 56 12.444 -5.032 0.441 1.00 4.41 H new ATOM 0 HG3 GLU A 56 14.157 -4.705 0.265 1.00 4.41 H new ATOM 822 N VAL A 57 12.640 -2.719 2.138 1.00 2.15 N ATOM 823 CA VAL A 57 11.540 -1.810 1.832 1.00 1.91 C ATOM 824 C VAL A 57 11.620 -1.327 0.394 1.00 1.97 C ATOM 825 O VAL A 57 12.581 -0.670 -0.004 1.00 2.25 O ATOM 826 CB VAL A 57 11.523 -0.577 2.752 1.00 1.88 C ATOM 827 CG1 VAL A 57 10.240 0.233 2.559 1.00 1.65 C ATOM 828 CG2 VAL A 57 11.694 -0.994 4.206 1.00 1.99 C ATOM 0 H VAL A 57 13.563 -2.379 1.867 1.00 2.15 H new ATOM 0 HA VAL A 57 10.625 -2.381 1.992 1.00 1.91 H new ATOM 0 HB VAL A 57 12.362 0.063 2.481 1.00 1.88 H new ATOM 0 HG11 VAL A 57 10.253 1.099 3.221 1.00 1.65 H new ATOM 0 HG12 VAL A 57 10.174 0.568 1.524 1.00 1.65 H new ATOM 0 HG13 VAL A 57 9.377 -0.390 2.794 1.00 1.65 H new ATOM 0 HG21 VAL A 57 11.680 -0.109 4.842 1.00 1.99 H new ATOM 0 HG22 VAL A 57 10.880 -1.660 4.492 1.00 1.99 H new ATOM 0 HG23 VAL A 57 12.645 -1.512 4.326 1.00 1.99 H new ATOM 838 N THR A 58 10.593 -1.644 -0.371 1.00 1.79 N ATOM 839 CA THR A 58 10.522 -1.229 -1.768 1.00 1.93 C ATOM 840 C THR A 58 9.821 0.117 -1.860 1.00 1.67 C ATOM 841 O THR A 58 8.654 0.241 -1.491 1.00 1.86 O ATOM 842 CB THR A 58 9.788 -2.276 -2.610 1.00 2.13 C ATOM 843 OG1 THR A 58 9.637 -1.827 -3.945 1.00 2.55 O ATOM 844 CG2 THR A 58 8.411 -2.622 -2.085 1.00 2.45 C ATOM 0 H THR A 58 9.792 -2.189 -0.052 1.00 1.79 H new ATOM 0 HA THR A 58 11.534 -1.135 -2.162 1.00 1.93 H new ATOM 0 HB THR A 58 10.409 -3.170 -2.557 1.00 2.13 H new ATOM 0 HG1 THR A 58 9.167 -2.509 -4.469 1.00 2.55 H new ATOM 0 HG21 THR A 58 7.952 -3.369 -2.732 1.00 2.45 H new ATOM 0 HG22 THR A 58 8.497 -3.021 -1.074 1.00 2.45 H new ATOM 0 HG23 THR A 58 7.791 -1.725 -2.070 1.00 2.45 H new ATOM 852 N CYS A 59 10.542 1.138 -2.314 1.00 1.38 N ATOM 853 CA CYS A 59 9.964 2.474 -2.394 1.00 1.19 C ATOM 854 C CYS A 59 9.813 2.961 -3.826 1.00 1.17 C ATOM 855 O CYS A 59 10.347 2.372 -4.766 1.00 1.36 O ATOM 856 CB CYS A 59 10.816 3.464 -1.601 1.00 1.33 C ATOM 857 SG CYS A 59 10.940 3.071 0.172 1.00 1.84 S ATOM 0 H CYS A 59 11.510 1.068 -2.627 1.00 1.38 H new ATOM 0 HA CYS A 59 8.964 2.413 -1.963 1.00 1.19 H new ATOM 0 HB2 CYS A 59 11.818 3.490 -2.029 1.00 1.33 H new ATOM 0 HB3 CYS A 59 10.395 4.463 -1.714 1.00 1.33 H new ATOM 862 N CYS A 60 9.076 4.055 -3.966 1.00 1.01 N ATOM 863 CA CYS A 60 8.829 4.669 -5.261 1.00 1.07 C ATOM 864 C CYS A 60 8.711 6.181 -5.106 1.00 1.14 C ATOM 865 O CYS A 60 7.917 6.675 -4.300 1.00 1.00 O ATOM 866 CB CYS A 60 7.552 4.108 -5.886 1.00 1.19 C ATOM 867 SG CYS A 60 7.832 2.847 -7.173 1.00 1.42 S ATOM 0 H CYS A 60 8.634 4.540 -3.185 1.00 1.01 H new ATOM 0 HA CYS A 60 9.667 4.440 -5.919 1.00 1.07 H new ATOM 0 HB2 CYS A 60 6.937 3.674 -5.098 1.00 1.19 H new ATOM 0 HB3 CYS A 60 6.982 4.931 -6.319 1.00 1.19 H new ATOM 872 N SER A 61 9.512 6.907 -5.877 1.00 1.70 N ATOM 873 CA SER A 61 9.519 8.357 -5.835 1.00 2.09 C ATOM 874 C SER A 61 8.192 8.926 -6.304 1.00 1.80 C ATOM 875 O SER A 61 7.948 9.057 -7.503 1.00 2.46 O ATOM 876 CB SER A 61 10.651 8.908 -6.704 1.00 2.87 C ATOM 877 OG SER A 61 10.849 8.104 -7.855 1.00 3.66 O ATOM 0 H SER A 61 10.171 6.506 -6.545 1.00 1.70 H new ATOM 0 HA SER A 61 9.678 8.659 -4.800 1.00 2.09 H new ATOM 0 HB2 SER A 61 10.418 9.929 -7.006 1.00 2.87 H new ATOM 0 HB3 SER A 61 11.572 8.950 -6.123 1.00 2.87 H new ATOM 0 HG SER A 61 11.576 8.478 -8.394 1.00 3.66 H new ATOM 883 N THR A 62 7.347 9.267 -5.344 1.00 1.31 N ATOM 884 CA THR A 62 6.041 9.839 -5.617 1.00 1.51 C ATOM 885 C THR A 62 5.177 8.896 -6.441 1.00 1.26 C ATOM 886 O THR A 62 5.662 8.194 -7.327 1.00 2.01 O ATOM 887 CB THR A 62 6.171 11.197 -6.316 1.00 2.19 C ATOM 888 OG1 THR A 62 7.358 11.275 -7.086 1.00 2.67 O ATOM 889 CG2 THR A 62 6.185 12.360 -5.348 1.00 3.16 C ATOM 0 H THR A 62 7.550 9.154 -4.351 1.00 1.31 H new ATOM 0 HA THR A 62 5.547 9.991 -4.657 1.00 1.51 H new ATOM 0 HB THR A 62 5.290 11.269 -6.954 1.00 2.19 H new ATOM 0 HG1 THR A 62 7.389 10.525 -7.716 1.00 2.67 H new ATOM 0 HG21 THR A 62 6.279 13.294 -5.902 1.00 3.16 H new ATOM 0 HG22 THR A 62 5.257 12.369 -4.777 1.00 3.16 H new ATOM 0 HG23 THR A 62 7.029 12.256 -4.667 1.00 3.16 H new ATOM 897 N ASP A 63 3.886 8.902 -6.117 1.00 0.98 N ATOM 898 CA ASP A 63 2.878 8.069 -6.780 1.00 1.03 C ATOM 899 C ASP A 63 2.552 6.841 -5.957 1.00 1.09 C ATOM 900 O ASP A 63 3.416 6.282 -5.284 1.00 1.53 O ATOM 901 CB ASP A 63 3.303 7.663 -8.194 1.00 1.26 C ATOM 902 CG ASP A 63 2.147 7.110 -9.007 1.00 1.85 C ATOM 903 OD1 ASP A 63 1.061 7.727 -8.989 1.00 2.27 O ATOM 904 OD2 ASP A 63 2.330 6.064 -9.663 1.00 2.65 O ATOM 0 H ASP A 63 3.503 9.492 -5.378 1.00 0.98 H new ATOM 0 HA ASP A 63 1.979 8.679 -6.867 1.00 1.03 H new ATOM 0 HB2 ASP A 63 3.724 8.528 -8.707 1.00 1.26 H new ATOM 0 HB3 ASP A 63 4.092 6.914 -8.133 1.00 1.26 H new ATOM 909 N LYS A 64 1.288 6.437 -6.021 1.00 0.91 N ATOM 910 CA LYS A 64 0.797 5.274 -5.294 1.00 0.94 C ATOM 911 C LYS A 64 1.442 4.000 -5.822 1.00 0.87 C ATOM 912 O LYS A 64 0.761 3.050 -6.207 1.00 0.95 O ATOM 913 CB LYS A 64 -0.727 5.179 -5.412 1.00 1.12 C ATOM 914 CG LYS A 64 -1.231 5.270 -6.844 1.00 1.23 C ATOM 915 CD LYS A 64 -2.710 4.928 -6.932 1.00 1.47 C ATOM 916 CE LYS A 64 -3.142 4.675 -8.369 1.00 1.90 C ATOM 917 NZ LYS A 64 -3.438 3.236 -8.614 1.00 2.24 N ATOM 0 H LYS A 64 0.575 6.907 -6.579 1.00 0.91 H new ATOM 0 HA LYS A 64 1.064 5.388 -4.243 1.00 0.94 H new ATOM 0 HB2 LYS A 64 -1.059 4.236 -4.977 1.00 1.12 H new ATOM 0 HB3 LYS A 64 -1.180 5.978 -4.824 1.00 1.12 H new ATOM 0 HG2 LYS A 64 -1.065 6.277 -7.227 1.00 1.23 H new ATOM 0 HG3 LYS A 64 -0.660 4.590 -7.477 1.00 1.23 H new ATOM 0 HD2 LYS A 64 -2.916 4.044 -6.329 1.00 1.47 H new ATOM 0 HD3 LYS A 64 -3.298 5.744 -6.513 1.00 1.47 H new ATOM 0 HE2 LYS A 64 -4.027 5.271 -8.592 1.00 1.90 H new ATOM 0 HE3 LYS A 64 -2.356 5.005 -9.048 1.00 1.90 H new ATOM 0 HZ1 LYS A 64 -3.729 3.105 -9.604 1.00 2.24 H new ATOM 0 HZ2 LYS A 64 -2.587 2.669 -8.425 1.00 2.24 H new ATOM 0 HZ3 LYS A 64 -4.206 2.927 -7.984 1.00 2.24 H new ATOM 931 N CYS A 65 2.766 4.002 -5.836 1.00 0.85 N ATOM 932 CA CYS A 65 3.542 2.865 -6.311 1.00 0.94 C ATOM 933 C CYS A 65 3.839 1.899 -5.161 1.00 0.97 C ATOM 934 O CYS A 65 4.906 1.289 -5.099 1.00 1.23 O ATOM 935 CB CYS A 65 4.839 3.369 -6.949 1.00 1.08 C ATOM 936 SG CYS A 65 5.987 2.063 -7.509 1.00 1.24 S ATOM 0 H CYS A 65 3.332 4.789 -5.520 1.00 0.85 H new ATOM 0 HA CYS A 65 2.966 2.322 -7.060 1.00 0.94 H new ATOM 0 HB2 CYS A 65 4.585 3.998 -7.802 1.00 1.08 H new ATOM 0 HB3 CYS A 65 5.357 4.002 -6.229 1.00 1.08 H new ATOM 941 N ASN A 66 2.879 1.760 -4.247 1.00 0.87 N ATOM 942 CA ASN A 66 3.035 0.866 -3.105 1.00 1.05 C ATOM 943 C ASN A 66 2.061 -0.326 -3.144 1.00 0.85 C ATOM 944 O ASN A 66 1.815 -0.949 -2.111 1.00 1.10 O ATOM 945 CB ASN A 66 2.838 1.643 -1.800 1.00 1.49 C ATOM 946 CG ASN A 66 4.085 1.678 -0.941 1.00 1.47 C ATOM 947 OD1 ASN A 66 5.109 1.090 -1.286 1.00 2.23 O ATOM 948 ND2 ASN A 66 4.003 2.372 0.189 1.00 1.38 N ATOM 0 H ASN A 66 1.988 2.255 -4.277 1.00 0.87 H new ATOM 0 HA ASN A 66 4.046 0.463 -3.156 1.00 1.05 H new ATOM 0 HB2 ASN A 66 2.535 2.664 -2.033 1.00 1.49 H new ATOM 0 HB3 ASN A 66 2.025 1.190 -1.233 1.00 1.49 H new ATOM 0 HD21 ASN A 66 4.810 2.433 0.810 1.00 1.38 H new ATOM 0 HD22 ASN A 66 3.133 2.844 0.436 1.00 1.38 H new ATOM 955 N PRO A 67 1.489 -0.675 -4.317 1.00 0.82 N ATOM 956 CA PRO A 67 0.560 -1.798 -4.430 1.00 1.02 C ATOM 957 C PRO A 67 1.279 -3.129 -4.613 1.00 1.06 C ATOM 958 O PRO A 67 2.309 -3.200 -5.283 1.00 1.88 O ATOM 959 CB PRO A 67 -0.226 -1.449 -5.687 1.00 1.34 C ATOM 960 CG PRO A 67 0.770 -0.763 -6.555 1.00 1.49 C ATOM 961 CD PRO A 67 1.695 -0.019 -5.622 1.00 1.08 C ATOM 0 HA PRO A 67 -0.049 -1.926 -3.535 1.00 1.02 H new ATOM 0 HB2 PRO A 67 -0.627 -2.341 -6.168 1.00 1.34 H new ATOM 0 HB3 PRO A 67 -1.073 -0.801 -5.461 1.00 1.34 H new ATOM 0 HG2 PRO A 67 1.322 -1.483 -7.159 1.00 1.49 H new ATOM 0 HG3 PRO A 67 0.279 -0.078 -7.246 1.00 1.49 H new ATOM 0 HD2 PRO A 67 2.733 -0.093 -5.946 1.00 1.08 H new ATOM 0 HD3 PRO A 67 1.449 1.042 -5.579 1.00 1.08 H new ATOM 969 N HIS A 68 0.732 -4.182 -4.018 1.00 1.03 N ATOM 970 CA HIS A 68 1.328 -5.509 -4.125 1.00 1.25 C ATOM 971 C HIS A 68 0.948 -6.166 -5.449 1.00 1.62 C ATOM 972 O HIS A 68 1.810 -6.428 -6.287 1.00 1.90 O ATOM 973 CB HIS A 68 0.891 -6.389 -2.955 1.00 1.49 C ATOM 974 CG HIS A 68 1.815 -6.314 -1.782 1.00 1.35 C ATOM 975 ND1 HIS A 68 3.108 -6.792 -1.812 1.00 2.01 N ATOM 976 CD2 HIS A 68 1.633 -5.803 -0.543 1.00 1.43 C ATOM 977 CE1 HIS A 68 3.681 -6.576 -0.643 1.00 2.50 C ATOM 978 NE2 HIS A 68 2.807 -5.976 0.148 1.00 2.11 N ATOM 0 H HIS A 68 -0.120 -4.144 -3.458 1.00 1.03 H new ATOM 0 HA HIS A 68 2.412 -5.398 -4.092 1.00 1.25 H new ATOM 0 HB2 HIS A 68 -0.110 -6.093 -2.640 1.00 1.49 H new ATOM 0 HB3 HIS A 68 0.826 -7.424 -3.292 1.00 1.49 H new ATOM 0 HD1 HIS A 68 3.552 -7.242 -2.612 1.00 2.01 H new ATOM 0 HD2 HIS A 68 0.731 -5.344 -0.167 1.00 1.43 H new ATOM 0 HE1 HIS A 68 4.693 -6.844 -0.377 1.00 2.50 H new ATOM 987 N PRO A 69 -0.353 -6.440 -5.660 1.00 2.33 N ATOM 988 CA PRO A 69 -0.831 -7.065 -6.895 1.00 2.85 C ATOM 989 C PRO A 69 -0.797 -6.104 -8.077 1.00 2.45 C ATOM 990 O PRO A 69 -0.208 -5.025 -7.999 1.00 3.04 O ATOM 991 CB PRO A 69 -2.272 -7.450 -6.560 1.00 4.03 C ATOM 992 CG PRO A 69 -2.691 -6.469 -5.520 1.00 4.23 C ATOM 993 CD PRO A 69 -1.455 -6.161 -4.718 1.00 3.14 C ATOM 0 HA PRO A 69 -0.209 -7.908 -7.195 1.00 2.85 H new ATOM 0 HB2 PRO A 69 -2.912 -7.393 -7.440 1.00 4.03 H new ATOM 0 HB3 PRO A 69 -2.333 -8.473 -6.188 1.00 4.03 H new ATOM 0 HG2 PRO A 69 -3.095 -5.565 -5.976 1.00 4.23 H new ATOM 0 HG3 PRO A 69 -3.474 -6.884 -4.886 1.00 4.23 H new ATOM 0 HD2 PRO A 69 -1.443 -5.124 -4.382 1.00 3.14 H new ATOM 0 HD3 PRO A 69 -1.389 -6.785 -3.827 1.00 3.14 H new ATOM 1001 N LYS A 70 -1.436 -6.500 -9.173 1.00 2.14 N ATOM 1002 CA LYS A 70 -1.483 -5.673 -10.374 1.00 2.45 C ATOM 1003 C LYS A 70 -2.326 -6.342 -11.456 1.00 2.26 C ATOM 1004 O LYS A 70 -2.112 -7.508 -11.789 1.00 2.90 O ATOM 1005 CB LYS A 70 -0.069 -5.412 -10.898 1.00 3.14 C ATOM 1006 CG LYS A 70 0.112 -4.023 -11.489 1.00 3.52 C ATOM 1007 CD LYS A 70 -0.226 -2.940 -10.478 1.00 4.18 C ATOM 1008 CE LYS A 70 0.625 -1.697 -10.688 1.00 5.07 C ATOM 1009 NZ LYS A 70 1.763 -1.630 -9.730 1.00 5.76 N ATOM 0 H LYS A 70 -1.929 -7.389 -9.255 1.00 2.14 H new ATOM 0 HA LYS A 70 -1.944 -4.720 -10.114 1.00 2.45 H new ATOM 0 HB2 LYS A 70 0.642 -5.547 -10.083 1.00 3.14 H new ATOM 0 HB3 LYS A 70 0.171 -6.156 -11.658 1.00 3.14 H new ATOM 0 HG2 LYS A 70 1.142 -3.900 -11.825 1.00 3.52 H new ATOM 0 HG3 LYS A 70 -0.525 -3.914 -12.367 1.00 3.52 H new ATOM 0 HD2 LYS A 70 -1.281 -2.679 -10.562 1.00 4.18 H new ATOM 0 HD3 LYS A 70 -0.072 -3.322 -9.469 1.00 4.18 H new ATOM 0 HE2 LYS A 70 1.009 -1.689 -11.708 1.00 5.07 H new ATOM 0 HE3 LYS A 70 0.003 -0.809 -10.575 1.00 5.07 H new ATOM 0 HZ1 LYS A 70 1.649 -0.801 -9.113 1.00 5.76 H new ATOM 0 HZ2 LYS A 70 1.780 -2.493 -9.150 1.00 5.76 H new ATOM 0 HZ3 LYS A 70 2.656 -1.549 -10.257 1.00 5.76 H new ATOM 1023 N GLN A 71 -3.284 -5.599 -11.995 1.00 2.06 N ATOM 1024 CA GLN A 71 -4.165 -6.120 -13.034 1.00 2.35 C ATOM 1025 C GLN A 71 -3.366 -6.589 -14.247 1.00 1.83 C ATOM 1026 O GLN A 71 -3.155 -5.832 -15.193 1.00 2.38 O ATOM 1027 CB GLN A 71 -5.175 -5.052 -13.456 1.00 3.35 C ATOM 1028 CG GLN A 71 -5.986 -4.491 -12.300 1.00 4.20 C ATOM 1029 CD GLN A 71 -6.694 -5.572 -11.506 1.00 5.25 C ATOM 1030 OE1 GLN A 71 -6.100 -6.209 -10.636 1.00 5.76 O ATOM 1031 NE2 GLN A 71 -7.971 -5.784 -11.803 1.00 5.91 N ATOM 0 H GLN A 71 -3.471 -4.632 -11.730 1.00 2.06 H new ATOM 0 HA GLN A 71 -4.700 -6.977 -12.624 1.00 2.35 H new ATOM 0 HB2 GLN A 71 -4.645 -4.236 -13.946 1.00 3.35 H new ATOM 0 HB3 GLN A 71 -5.855 -5.478 -14.193 1.00 3.35 H new ATOM 0 HG2 GLN A 71 -5.327 -3.931 -11.637 1.00 4.20 H new ATOM 0 HG3 GLN A 71 -6.723 -3.787 -12.686 1.00 4.20 H new ATOM 0 HE21 GLN A 71 -8.423 -5.232 -12.532 1.00 5.91 H new ATOM 0 HE22 GLN A 71 -8.499 -6.499 -11.302 1.00 5.91 H new ATOM 1040 N ARG A 72 -2.930 -7.843 -14.212 1.00 1.65 N ATOM 1041 CA ARG A 72 -2.160 -8.417 -15.308 1.00 1.72 C ATOM 1042 C ARG A 72 -2.912 -9.583 -15.945 1.00 1.50 C ATOM 1043 O ARG A 72 -2.729 -10.737 -15.556 1.00 1.91 O ATOM 1044 CB ARG A 72 -0.793 -8.890 -14.809 1.00 2.57 C ATOM 1045 CG ARG A 72 0.217 -9.120 -15.923 1.00 3.12 C ATOM 1046 CD ARG A 72 1.017 -10.393 -15.700 1.00 3.94 C ATOM 1047 NE ARG A 72 2.454 -10.169 -15.846 1.00 4.76 N ATOM 1048 CZ ARG A 72 3.385 -11.008 -15.397 1.00 5.44 C ATOM 1049 NH1 ARG A 72 3.035 -12.128 -14.774 1.00 5.52 N ATOM 1050 NH2 ARG A 72 4.668 -10.728 -15.570 1.00 6.38 N ATOM 0 H ARG A 72 -3.097 -8.482 -13.435 1.00 1.65 H new ATOM 0 HA ARG A 72 -2.015 -7.643 -16.062 1.00 1.72 H new ATOM 0 HB2 ARG A 72 -0.393 -8.151 -14.115 1.00 2.57 H new ATOM 0 HB3 ARG A 72 -0.921 -9.816 -14.249 1.00 2.57 H new ATOM 0 HG2 ARG A 72 -0.303 -9.179 -16.879 1.00 3.12 H new ATOM 0 HG3 ARG A 72 0.895 -8.269 -15.981 1.00 3.12 H new ATOM 0 HD2 ARG A 72 0.810 -10.781 -14.703 1.00 3.94 H new ATOM 0 HD3 ARG A 72 0.694 -11.153 -16.411 1.00 3.94 H new ATOM 0 HE ARG A 72 2.762 -9.320 -16.320 1.00 4.76 H new ATOM 0 HH11 ARG A 72 2.049 -12.349 -14.638 1.00 5.52 H new ATOM 0 HH12 ARG A 72 3.753 -12.767 -14.432 1.00 5.52 H new ATOM 0 HH21 ARG A 72 4.943 -9.869 -16.047 1.00 6.38 H new ATOM 0 HH22 ARG A 72 5.381 -11.371 -15.226 1.00 6.38 H new ATOM 1064 N PRO A 73 -3.773 -9.296 -16.936 1.00 1.93 N ATOM 1065 CA PRO A 73 -4.556 -10.328 -17.626 1.00 2.42 C ATOM 1066 C PRO A 73 -3.684 -11.237 -18.485 1.00 2.46 C ATOM 1067 O PRO A 73 -2.502 -10.965 -18.693 1.00 2.93 O ATOM 1068 CB PRO A 73 -5.518 -9.522 -18.501 1.00 3.42 C ATOM 1069 CG PRO A 73 -4.830 -8.218 -18.719 1.00 3.69 C ATOM 1070 CD PRO A 73 -4.052 -7.947 -17.462 1.00 2.80 C ATOM 0 HA PRO A 73 -5.058 -10.995 -16.925 1.00 2.42 H new ATOM 0 HB2 PRO A 73 -5.713 -10.029 -19.446 1.00 3.42 H new ATOM 0 HB3 PRO A 73 -6.480 -9.384 -18.008 1.00 3.42 H new ATOM 0 HG2 PRO A 73 -4.169 -8.265 -19.585 1.00 3.69 H new ATOM 0 HG3 PRO A 73 -5.551 -7.423 -18.911 1.00 3.69 H new ATOM 0 HD2 PRO A 73 -3.133 -7.398 -17.668 1.00 2.80 H new ATOM 0 HD3 PRO A 73 -4.627 -7.351 -16.754 1.00 2.80 H new ATOM 1078 N GLY A 74 -4.276 -12.318 -18.983 1.00 2.73 N ATOM 1079 CA GLY A 74 -3.538 -13.251 -19.814 1.00 3.34 C ATOM 1080 C GLY A 74 -3.113 -14.491 -19.054 1.00 3.98 C ATOM 1081 O GLY A 74 -3.197 -15.597 -19.629 1.00 4.37 O ATOM 1082 OXT GLY A 74 -2.695 -14.358 -17.885 1.00 4.56 O ATOM 0 H GLY A 74 -5.253 -12.564 -18.826 1.00 2.73 H new ATOM 0 HA2 GLY A 74 -4.155 -13.543 -20.664 1.00 3.34 H new ATOM 0 HA3 GLY A 74 -2.655 -12.755 -20.217 1.00 3.34 H new ATOM 1087 N ILE B 178 -11.329 -18.564 26.069 1.00 3.04 N ATOM 1088 CA ILE B 178 -10.569 -17.653 26.967 1.00 2.43 C ATOM 1089 C ILE B 178 -9.371 -17.028 26.250 1.00 1.75 C ATOM 1090 O ILE B 178 -9.152 -15.821 26.341 1.00 1.94 O ATOM 1091 CB ILE B 178 -10.072 -18.388 28.229 1.00 2.91 C ATOM 1092 CG1 ILE B 178 -11.208 -19.199 28.859 1.00 3.35 C ATOM 1093 CG2 ILE B 178 -9.506 -17.395 29.230 1.00 3.53 C ATOM 1094 CD1 ILE B 178 -10.808 -20.611 29.229 1.00 4.29 C ATOM 0 HA ILE B 178 -11.260 -16.863 27.262 1.00 2.43 H new ATOM 0 HB ILE B 178 -9.279 -19.077 27.940 1.00 2.91 H new ATOM 0 HG12 ILE B 178 -11.560 -18.683 29.753 1.00 3.35 H new ATOM 0 HG13 ILE B 178 -12.046 -19.238 28.163 1.00 3.35 H new ATOM 0 HG21 ILE B 178 -9.159 -17.928 30.115 1.00 3.53 H new ATOM 0 HG22 ILE B 178 -8.671 -16.859 28.779 1.00 3.53 H new ATOM 0 HG23 ILE B 178 -10.281 -16.684 29.515 1.00 3.53 H new ATOM 0 HD11 ILE B 178 -11.661 -21.127 29.670 1.00 4.29 H new ATOM 0 HD12 ILE B 178 -10.484 -21.144 28.335 1.00 4.29 H new ATOM 0 HD13 ILE B 178 -9.991 -20.581 29.949 1.00 4.29 H new ATOM 1108 N PRO B 179 -8.574 -17.835 25.521 1.00 1.95 N ATOM 1109 CA PRO B 179 -7.402 -17.333 24.796 1.00 2.20 C ATOM 1110 C PRO B 179 -7.737 -16.136 23.910 1.00 1.86 C ATOM 1111 O PRO B 179 -8.470 -16.263 22.929 1.00 2.05 O ATOM 1112 CB PRO B 179 -6.975 -18.528 23.939 1.00 3.39 C ATOM 1113 CG PRO B 179 -7.468 -19.718 24.684 1.00 3.73 C ATOM 1114 CD PRO B 179 -8.747 -19.290 25.345 1.00 2.94 C ATOM 0 HA PRO B 179 -6.626 -16.978 25.474 1.00 2.20 H new ATOM 0 HB2 PRO B 179 -7.411 -18.476 22.941 1.00 3.39 H new ATOM 0 HB3 PRO B 179 -5.893 -18.559 23.813 1.00 3.39 H new ATOM 0 HG2 PRO B 179 -7.639 -20.557 24.010 1.00 3.73 H new ATOM 0 HG3 PRO B 179 -6.737 -20.046 25.423 1.00 3.73 H new ATOM 0 HD2 PRO B 179 -9.615 -19.519 24.726 1.00 2.94 H new ATOM 0 HD3 PRO B 179 -8.894 -19.795 26.300 1.00 2.94 H new ATOM 1122 N GLY B 180 -7.197 -14.975 24.265 1.00 2.19 N ATOM 1123 CA GLY B 180 -7.452 -13.772 23.492 1.00 2.27 C ATOM 1124 C GLY B 180 -6.184 -13.000 23.189 1.00 1.83 C ATOM 1125 O GLY B 180 -6.192 -11.770 23.154 1.00 2.29 O ATOM 0 H GLY B 180 -6.588 -14.845 25.073 1.00 2.19 H new ATOM 0 HA2 GLY B 180 -7.942 -14.042 22.557 1.00 2.27 H new ATOM 0 HA3 GLY B 180 -8.142 -13.131 24.040 1.00 2.27 H new ATOM 1129 N LYS B 181 -5.091 -13.723 22.969 1.00 1.82 N ATOM 1130 CA LYS B 181 -3.807 -13.098 22.667 1.00 2.03 C ATOM 1131 C LYS B 181 -3.642 -12.890 21.164 1.00 1.64 C ATOM 1132 O LYS B 181 -2.774 -13.496 20.534 1.00 2.18 O ATOM 1133 CB LYS B 181 -2.659 -13.953 23.208 1.00 3.19 C ATOM 1134 CG LYS B 181 -2.549 -13.934 24.724 1.00 3.92 C ATOM 1135 CD LYS B 181 -1.369 -14.762 25.209 1.00 4.53 C ATOM 1136 CE LYS B 181 -1.632 -15.357 26.584 1.00 5.50 C ATOM 1137 NZ LYS B 181 -1.576 -16.845 26.564 1.00 6.01 N ATOM 0 H LYS B 181 -5.068 -14.742 22.994 1.00 1.82 H new ATOM 0 HA LYS B 181 -3.783 -12.123 23.153 1.00 2.03 H new ATOM 0 HB2 LYS B 181 -2.795 -14.982 22.875 1.00 3.19 H new ATOM 0 HB3 LYS B 181 -1.721 -13.600 22.779 1.00 3.19 H new ATOM 0 HG2 LYS B 181 -2.439 -12.906 25.069 1.00 3.92 H new ATOM 0 HG3 LYS B 181 -3.470 -14.320 25.161 1.00 3.92 H new ATOM 0 HD2 LYS B 181 -1.168 -15.563 24.497 1.00 4.53 H new ATOM 0 HD3 LYS B 181 -0.476 -14.138 25.246 1.00 4.53 H new ATOM 0 HE2 LYS B 181 -0.896 -14.975 27.292 1.00 5.50 H new ATOM 0 HE3 LYS B 181 -2.611 -15.035 26.938 1.00 5.50 H new ATOM 0 HZ1 LYS B 181 -1.760 -17.212 27.519 1.00 6.01 H new ATOM 0 HZ2 LYS B 181 -2.295 -17.211 25.908 1.00 6.01 H new ATOM 0 HZ3 LYS B 181 -0.633 -17.153 26.251 1.00 6.01 H new ATOM 1151 N ARG B 182 -4.480 -12.030 20.598 1.00 1.66 N ATOM 1152 CA ARG B 182 -4.431 -11.739 19.169 1.00 2.06 C ATOM 1153 C ARG B 182 -4.585 -10.244 18.914 1.00 1.96 C ATOM 1154 O ARG B 182 -5.644 -9.668 19.164 1.00 2.87 O ATOM 1155 CB ARG B 182 -5.529 -12.509 18.432 1.00 3.27 C ATOM 1156 CG ARG B 182 -5.687 -13.948 18.903 1.00 4.04 C ATOM 1157 CD ARG B 182 -4.525 -14.816 18.446 1.00 4.81 C ATOM 1158 NE ARG B 182 -4.917 -15.745 17.389 1.00 5.38 N ATOM 1159 CZ ARG B 182 -4.052 -16.403 16.621 1.00 5.95 C ATOM 1160 NH1 ARG B 182 -2.745 -16.238 16.787 1.00 6.10 N ATOM 1161 NH2 ARG B 182 -4.494 -17.230 15.682 1.00 6.67 N ATOM 0 H ARG B 182 -5.203 -11.521 21.107 1.00 1.66 H new ATOM 0 HA ARG B 182 -3.459 -12.056 18.792 1.00 2.06 H new ATOM 0 HB2 ARG B 182 -6.477 -11.987 18.562 1.00 3.27 H new ATOM 0 HB3 ARG B 182 -5.308 -12.507 17.365 1.00 3.27 H new ATOM 0 HG2 ARG B 182 -5.753 -13.970 19.991 1.00 4.04 H new ATOM 0 HG3 ARG B 182 -6.621 -14.357 18.518 1.00 4.04 H new ATOM 0 HD2 ARG B 182 -3.716 -14.179 18.087 1.00 4.81 H new ATOM 0 HD3 ARG B 182 -4.136 -15.377 19.296 1.00 4.81 H new ATOM 0 HE ARG B 182 -5.913 -15.898 17.230 1.00 5.38 H new ATOM 0 HH11 ARG B 182 -2.398 -15.604 17.507 1.00 6.10 H new ATOM 0 HH12 ARG B 182 -2.088 -16.746 16.195 1.00 6.10 H new ATOM 0 HH21 ARG B 182 -5.497 -17.361 15.549 1.00 6.67 H new ATOM 0 HH22 ARG B 182 -3.831 -17.734 15.093 1.00 6.67 H new ATOM 1175 N THR B 183 -3.522 -9.617 18.418 1.00 1.59 N ATOM 1176 CA THR B 183 -3.543 -8.187 18.133 1.00 2.20 C ATOM 1177 C THR B 183 -3.843 -7.920 16.658 1.00 2.09 C ATOM 1178 O THR B 183 -3.561 -6.837 16.149 1.00 2.78 O ATOM 1179 CB THR B 183 -2.209 -7.549 18.518 1.00 3.19 C ATOM 1180 OG1 THR B 183 -1.906 -7.804 19.878 1.00 3.61 O ATOM 1181 CG2 THR B 183 -2.186 -6.052 18.317 1.00 4.26 C ATOM 0 H THR B 183 -2.637 -10.077 18.206 1.00 1.59 H new ATOM 0 HA THR B 183 -4.339 -7.740 18.729 1.00 2.20 H new ATOM 0 HB THR B 183 -1.469 -8.001 17.857 1.00 3.19 H new ATOM 0 HG1 THR B 183 -1.048 -7.389 20.105 1.00 3.61 H new ATOM 0 HG21 THR B 183 -1.211 -5.661 18.609 1.00 4.26 H new ATOM 0 HG22 THR B 183 -2.370 -5.823 17.267 1.00 4.26 H new ATOM 0 HG23 THR B 183 -2.960 -5.591 18.930 1.00 4.26 H new ATOM 1189 N GLU B 184 -4.422 -8.917 15.991 1.00 1.92 N ATOM 1190 CA GLU B 184 -4.784 -8.825 14.571 1.00 2.53 C ATOM 1191 C GLU B 184 -3.840 -7.915 13.782 1.00 1.88 C ATOM 1192 O GLU B 184 -4.010 -6.696 13.759 1.00 1.78 O ATOM 1193 CB GLU B 184 -6.229 -8.335 14.422 1.00 3.62 C ATOM 1194 CG GLU B 184 -6.454 -6.915 14.917 1.00 4.59 C ATOM 1195 CD GLU B 184 -7.801 -6.740 15.591 1.00 5.38 C ATOM 1196 OE1 GLU B 184 -8.827 -6.753 14.880 1.00 5.66 O ATOM 1197 OE2 GLU B 184 -7.828 -6.592 16.831 1.00 6.05 O ATOM 0 H GLU B 184 -4.655 -9.814 16.417 1.00 1.92 H new ATOM 0 HA GLU B 184 -4.691 -9.828 14.154 1.00 2.53 H new ATOM 0 HB2 GLU B 184 -6.515 -8.392 13.372 1.00 3.62 H new ATOM 0 HB3 GLU B 184 -6.889 -9.009 14.969 1.00 3.62 H new ATOM 0 HG2 GLU B 184 -5.663 -6.649 15.619 1.00 4.59 H new ATOM 0 HG3 GLU B 184 -6.380 -6.225 14.077 1.00 4.59 H new ATOM 1204 N SER B 185 -2.858 -8.521 13.122 1.00 1.58 N ATOM 1205 CA SER B 185 -1.901 -7.771 12.317 1.00 1.18 C ATOM 1206 C SER B 185 -2.265 -7.900 10.841 1.00 1.01 C ATOM 1207 O SER B 185 -3.427 -8.117 10.508 1.00 1.15 O ATOM 1208 CB SER B 185 -0.480 -8.279 12.573 1.00 1.56 C ATOM 1209 OG SER B 185 -0.302 -8.634 13.934 1.00 1.90 O ATOM 0 H SER B 185 -2.704 -9.529 13.129 1.00 1.58 H new ATOM 0 HA SER B 185 -1.939 -6.718 12.598 1.00 1.18 H new ATOM 0 HB2 SER B 185 -0.280 -9.143 11.939 1.00 1.56 H new ATOM 0 HB3 SER B 185 0.240 -7.508 12.298 1.00 1.56 H new ATOM 0 HG SER B 185 -0.443 -9.598 14.042 1.00 1.90 H new ATOM 1215 N PHE B 186 -1.281 -7.777 9.953 1.00 0.90 N ATOM 1216 CA PHE B 186 -1.548 -7.902 8.528 1.00 0.80 C ATOM 1217 C PHE B 186 -0.422 -8.623 7.806 1.00 0.76 C ATOM 1218 O PHE B 186 0.697 -8.726 8.309 1.00 1.01 O ATOM 1219 CB PHE B 186 -1.770 -6.536 7.884 1.00 0.81 C ATOM 1220 CG PHE B 186 -2.355 -6.623 6.499 1.00 0.71 C ATOM 1221 CD1 PHE B 186 -3.436 -7.459 6.234 1.00 1.14 C ATOM 1222 CD2 PHE B 186 -1.835 -5.865 5.458 1.00 1.32 C ATOM 1223 CE1 PHE B 186 -3.973 -7.530 4.975 1.00 1.10 C ATOM 1224 CE2 PHE B 186 -2.381 -5.935 4.202 1.00 1.39 C ATOM 1225 CZ PHE B 186 -3.447 -6.763 3.965 1.00 0.77 C ATOM 0 H PHE B 186 -0.307 -7.594 10.193 1.00 0.90 H new ATOM 0 HA PHE B 186 -2.458 -8.494 8.432 1.00 0.80 H new ATOM 0 HB2 PHE B 186 -2.434 -5.947 8.516 1.00 0.81 H new ATOM 0 HB3 PHE B 186 -0.820 -6.004 7.838 1.00 0.81 H new ATOM 0 HD1 PHE B 186 -3.856 -8.058 7.029 1.00 1.14 H new ATOM 0 HD2 PHE B 186 -0.992 -5.214 5.639 1.00 1.32 H new ATOM 0 HE1 PHE B 186 -4.807 -8.187 4.778 1.00 1.10 H new ATOM 0 HE2 PHE B 186 -1.971 -5.338 3.400 1.00 1.39 H new ATOM 0 HZ PHE B 186 -3.877 -6.813 2.975 1.00 0.77 H new ATOM 1235 N TYR B 187 -0.742 -9.122 6.623 1.00 0.73 N ATOM 1236 CA TYR B 187 0.207 -9.839 5.801 1.00 0.72 C ATOM 1237 C TYR B 187 0.376 -9.117 4.462 1.00 0.79 C ATOM 1238 O TYR B 187 0.293 -7.892 4.405 1.00 1.50 O ATOM 1239 CB TYR B 187 -0.283 -11.279 5.631 1.00 0.81 C ATOM 1240 CG TYR B 187 0.700 -12.356 6.065 1.00 0.77 C ATOM 1241 CD1 TYR B 187 1.785 -12.723 5.270 1.00 1.43 C ATOM 1242 CD2 TYR B 187 0.514 -13.038 7.261 1.00 1.42 C ATOM 1243 CE1 TYR B 187 2.645 -13.730 5.661 1.00 1.60 C ATOM 1244 CE2 TYR B 187 1.371 -14.048 7.652 1.00 1.47 C ATOM 1245 CZ TYR B 187 2.433 -14.390 6.849 1.00 1.11 C ATOM 1246 OH TYR B 187 3.288 -15.397 7.235 1.00 1.38 O ATOM 0 H TYR B 187 -1.670 -9.039 6.209 1.00 0.73 H new ATOM 0 HA TYR B 187 1.189 -9.869 6.274 1.00 0.72 H new ATOM 0 HB2 TYR B 187 -1.205 -11.401 6.200 1.00 0.81 H new ATOM 0 HB3 TYR B 187 -0.532 -11.439 4.582 1.00 0.81 H new ATOM 0 HD1 TYR B 187 1.955 -12.212 4.334 1.00 1.43 H new ATOM 0 HD2 TYR B 187 -0.317 -12.773 7.898 1.00 1.42 H new ATOM 0 HE1 TYR B 187 3.483 -13.999 5.035 1.00 1.60 H new ATOM 0 HE2 TYR B 187 1.207 -14.567 8.585 1.00 1.47 H new ATOM 0 HH TYR B 187 2.998 -15.759 8.098 1.00 1.38 H new ATOM 1256 N GLU B 188 0.625 -9.864 3.398 1.00 0.91 N ATOM 1257 CA GLU B 188 0.824 -9.277 2.084 1.00 1.02 C ATOM 1258 C GLU B 188 -0.432 -8.592 1.578 1.00 1.10 C ATOM 1259 O GLU B 188 -0.349 -7.740 0.693 1.00 1.30 O ATOM 1260 CB GLU B 188 1.288 -10.343 1.084 1.00 1.06 C ATOM 1261 CG GLU B 188 1.173 -9.923 -0.374 1.00 1.38 C ATOM 1262 CD GLU B 188 1.703 -10.976 -1.329 1.00 1.69 C ATOM 1263 OE1 GLU B 188 0.923 -11.873 -1.715 1.00 2.25 O ATOM 1264 OE2 GLU B 188 2.897 -10.903 -1.689 1.00 2.31 O ATOM 0 H GLU B 188 0.694 -10.881 3.420 1.00 0.91 H new ATOM 0 HA GLU B 188 1.600 -8.518 2.179 1.00 1.02 H new ATOM 0 HB2 GLU B 188 2.327 -10.597 1.296 1.00 1.06 H new ATOM 0 HB3 GLU B 188 0.701 -11.249 1.237 1.00 1.06 H new ATOM 0 HG2 GLU B 188 0.128 -9.719 -0.608 1.00 1.38 H new ATOM 0 HG3 GLU B 188 1.721 -8.993 -0.524 1.00 1.38 H new ATOM 1271 N CYS B 189 -1.597 -8.940 2.131 1.00 1.06 N ATOM 1272 CA CYS B 189 -2.831 -8.305 1.680 1.00 1.30 C ATOM 1273 C CYS B 189 -4.104 -8.951 2.181 1.00 1.39 C ATOM 1274 O CYS B 189 -5.118 -8.270 2.344 1.00 1.52 O ATOM 1275 CB CYS B 189 -2.952 -8.341 0.142 1.00 1.66 C ATOM 1276 SG CYS B 189 -3.795 -9.848 -0.528 1.00 2.11 S ATOM 0 H CYS B 189 -1.709 -9.636 2.868 1.00 1.06 H new ATOM 0 HA CYS B 189 -2.747 -7.297 2.086 1.00 1.30 H new ATOM 0 HB2 CYS B 189 -3.499 -7.458 -0.187 1.00 1.66 H new ATOM 0 HB3 CYS B 189 -1.953 -8.277 -0.290 1.00 1.66 H new ATOM 1281 N CYS B 190 -4.121 -10.264 2.259 1.00 1.48 N ATOM 1282 CA CYS B 190 -5.384 -10.915 2.543 1.00 1.74 C ATOM 1283 C CYS B 190 -5.275 -12.287 3.203 1.00 2.01 C ATOM 1284 O CYS B 190 -6.209 -13.086 3.125 1.00 2.33 O ATOM 1285 CB CYS B 190 -6.129 -11.034 1.199 1.00 2.06 C ATOM 1286 SG CYS B 190 -5.778 -9.683 -0.018 1.00 2.22 S ATOM 0 H CYS B 190 -3.317 -10.879 2.137 1.00 1.48 H new ATOM 0 HA CYS B 190 -5.914 -10.307 3.276 1.00 1.74 H new ATOM 0 HB2 CYS B 190 -5.871 -11.989 0.742 1.00 2.06 H new ATOM 0 HB3 CYS B 190 -7.201 -11.054 1.396 1.00 2.06 H new ATOM 1291 N LYS B 191 -4.174 -12.554 3.881 1.00 2.39 N ATOM 1292 CA LYS B 191 -4.018 -13.828 4.578 1.00 2.79 C ATOM 1293 C LYS B 191 -4.521 -13.685 6.004 1.00 2.64 C ATOM 1294 O LYS B 191 -3.834 -14.052 6.957 1.00 3.24 O ATOM 1295 CB LYS B 191 -2.557 -14.280 4.578 1.00 3.55 C ATOM 1296 CG LYS B 191 -2.316 -15.577 5.335 1.00 4.09 C ATOM 1297 CD LYS B 191 -1.454 -15.357 6.570 1.00 4.63 C ATOM 1298 CE LYS B 191 -1.786 -16.358 7.664 1.00 5.40 C ATOM 1299 NZ LYS B 191 -3.244 -16.390 7.962 1.00 6.03 N ATOM 0 H LYS B 191 -3.381 -11.918 3.967 1.00 2.39 H new ATOM 0 HA LYS B 191 -4.602 -14.586 4.056 1.00 2.79 H new ATOM 0 HB2 LYS B 191 -2.225 -14.405 3.547 1.00 3.55 H new ATOM 0 HB3 LYS B 191 -1.943 -13.494 5.018 1.00 3.55 H new ATOM 0 HG2 LYS B 191 -3.272 -16.009 5.631 1.00 4.09 H new ATOM 0 HG3 LYS B 191 -1.831 -16.298 4.677 1.00 4.09 H new ATOM 0 HD2 LYS B 191 -0.401 -15.445 6.301 1.00 4.63 H new ATOM 0 HD3 LYS B 191 -1.603 -14.344 6.944 1.00 4.63 H new ATOM 0 HE2 LYS B 191 -1.456 -17.351 7.360 1.00 5.40 H new ATOM 0 HE3 LYS B 191 -1.236 -16.102 8.569 1.00 5.40 H new ATOM 0 HZ1 LYS B 191 -3.388 -16.372 8.992 1.00 6.03 H new ATOM 0 HZ2 LYS B 191 -3.704 -15.562 7.534 1.00 6.03 H new ATOM 0 HZ3 LYS B 191 -3.660 -17.259 7.569 1.00 6.03 H new ATOM 1313 N GLU B 192 -5.709 -13.108 6.155 1.00 2.26 N ATOM 1314 CA GLU B 192 -6.263 -12.877 7.478 1.00 2.67 C ATOM 1315 C GLU B 192 -5.337 -11.925 8.223 1.00 2.38 C ATOM 1316 O GLU B 192 -4.178 -11.770 7.844 1.00 2.93 O ATOM 1317 CB GLU B 192 -6.411 -14.197 8.242 1.00 3.10 C ATOM 1318 CG GLU B 192 -6.792 -15.376 7.359 1.00 3.47 C ATOM 1319 CD GLU B 192 -7.889 -16.229 7.965 1.00 4.40 C ATOM 1320 OE1 GLU B 192 -7.573 -17.091 8.810 1.00 5.00 O ATOM 1321 OE2 GLU B 192 -9.065 -16.035 7.590 1.00 4.89 O ATOM 0 H GLU B 192 -6.299 -12.796 5.384 1.00 2.26 H new ATOM 0 HA GLU B 192 -7.257 -12.437 7.392 1.00 2.67 H new ATOM 0 HB2 GLU B 192 -5.471 -14.421 8.747 1.00 3.10 H new ATOM 0 HB3 GLU B 192 -7.168 -14.075 9.017 1.00 3.10 H new ATOM 0 HG2 GLU B 192 -7.120 -15.006 6.387 1.00 3.47 H new ATOM 0 HG3 GLU B 192 -5.911 -15.994 7.185 1.00 3.47 H new ATOM 1328 N PRO B 193 -5.814 -11.261 9.281 1.00 2.14 N ATOM 1329 CA PRO B 193 -4.982 -10.328 10.037 1.00 2.47 C ATOM 1330 C PRO B 193 -3.757 -11.014 10.636 1.00 1.99 C ATOM 1331 O PRO B 193 -3.743 -11.326 11.826 1.00 2.45 O ATOM 1332 CB PRO B 193 -5.915 -9.816 11.144 1.00 3.13 C ATOM 1333 CG PRO B 193 -7.022 -10.813 11.214 1.00 3.10 C ATOM 1334 CD PRO B 193 -7.178 -11.355 9.822 1.00 2.42 C ATOM 0 HA PRO B 193 -4.586 -9.531 9.408 1.00 2.47 H new ATOM 0 HB2 PRO B 193 -5.391 -9.741 12.097 1.00 3.13 H new ATOM 0 HB3 PRO B 193 -6.295 -8.821 10.910 1.00 3.13 H new ATOM 0 HG2 PRO B 193 -6.786 -11.610 11.919 1.00 3.10 H new ATOM 0 HG3 PRO B 193 -7.946 -10.347 11.557 1.00 3.10 H new ATOM 0 HD2 PRO B 193 -7.541 -12.383 9.826 1.00 2.42 H new ATOM 0 HD3 PRO B 193 -7.887 -10.769 9.237 1.00 2.42 H new ATOM 1342 N TYR B 194 -2.736 -11.254 9.794 1.00 1.31 N ATOM 1343 CA TYR B 194 -1.493 -11.917 10.222 1.00 1.18 C ATOM 1344 C TYR B 194 -1.418 -12.100 11.741 1.00 1.71 C ATOM 1345 O TYR B 194 -1.076 -11.170 12.470 1.00 2.54 O ATOM 1346 CB TYR B 194 -0.278 -11.120 9.740 1.00 1.12 C ATOM 1347 CG TYR B 194 1.054 -11.821 9.945 1.00 0.95 C ATOM 1348 CD1 TYR B 194 1.130 -13.094 10.502 1.00 1.53 C ATOM 1349 CD2 TYR B 194 2.239 -11.200 9.575 1.00 1.68 C ATOM 1350 CE1 TYR B 194 2.347 -13.722 10.686 1.00 1.83 C ATOM 1351 CE2 TYR B 194 3.459 -11.823 9.755 1.00 2.15 C ATOM 1352 CZ TYR B 194 3.507 -13.084 10.309 1.00 1.92 C ATOM 1353 OH TYR B 194 4.721 -13.707 10.490 1.00 2.59 O ATOM 0 H TYR B 194 -2.749 -10.996 8.807 1.00 1.31 H new ATOM 0 HA TYR B 194 -1.491 -12.910 9.772 1.00 1.18 H new ATOM 0 HB2 TYR B 194 -0.400 -10.901 8.679 1.00 1.12 H new ATOM 0 HB3 TYR B 194 -0.256 -10.164 10.262 1.00 1.12 H new ATOM 0 HD1 TYR B 194 0.222 -13.600 10.796 1.00 1.53 H new ATOM 0 HD2 TYR B 194 2.207 -10.213 9.139 1.00 1.68 H new ATOM 0 HE1 TYR B 194 2.388 -14.709 11.123 1.00 1.83 H new ATOM 0 HE2 TYR B 194 4.371 -11.324 9.463 1.00 2.15 H new ATOM 0 HH TYR B 194 5.408 -13.243 9.968 1.00 2.59 H new ATOM 1363 N PRO B 195 -1.743 -13.311 12.236 1.00 1.85 N ATOM 1364 CA PRO B 195 -1.713 -13.612 13.671 1.00 2.64 C ATOM 1365 C PRO B 195 -0.392 -13.214 14.319 1.00 2.98 C ATOM 1366 O PRO B 195 0.515 -12.722 13.650 1.00 3.23 O ATOM 1367 CB PRO B 195 -1.896 -15.130 13.718 1.00 3.06 C ATOM 1368 CG PRO B 195 -2.636 -15.460 12.471 1.00 2.77 C ATOM 1369 CD PRO B 195 -2.164 -14.478 11.436 1.00 2.02 C ATOM 0 HA PRO B 195 -2.476 -13.060 14.220 1.00 2.64 H new ATOM 0 HB2 PRO B 195 -0.935 -15.644 13.756 1.00 3.06 H new ATOM 0 HB3 PRO B 195 -2.455 -15.434 14.603 1.00 3.06 H new ATOM 0 HG2 PRO B 195 -2.434 -16.484 12.157 1.00 2.77 H new ATOM 0 HG3 PRO B 195 -3.712 -15.379 12.623 1.00 2.77 H new ATOM 0 HD2 PRO B 195 -1.339 -14.880 10.848 1.00 2.02 H new ATOM 0 HD3 PRO B 195 -2.959 -14.219 10.736 1.00 2.02 H new ATOM 1377 N ASP B 196 -0.291 -13.433 15.626 1.00 3.61 N ATOM 1378 CA ASP B 196 0.919 -13.099 16.366 1.00 4.37 C ATOM 1379 C ASP B 196 1.120 -14.055 17.537 1.00 5.06 C ATOM 1380 O ASP B 196 1.985 -14.950 17.429 1.00 5.38 O ATOM 1381 CB ASP B 196 0.849 -11.659 16.877 1.00 4.92 C ATOM 1382 CG ASP B 196 -0.475 -11.348 17.545 1.00 5.20 C ATOM 1383 OD1 ASP B 196 -0.591 -11.576 18.769 1.00 5.27 O ATOM 1384 OD2 ASP B 196 -1.397 -10.879 16.846 1.00 5.72 O ATOM 0 H ASP B 196 -1.034 -13.841 16.194 1.00 3.61 H new ATOM 0 HA ASP B 196 1.768 -13.196 15.689 1.00 4.37 H new ATOM 0 HB2 ASP B 196 1.660 -11.488 17.585 1.00 4.92 H new ATOM 0 HB3 ASP B 196 1.003 -10.973 16.044 1.00 4.92 H new