USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 741 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 NoAdj-H: A 28 HIS HD1 : A 28 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 18 LYS NZ :NH3+ -122:sc= -0.182 (180deg=0) USER MOD Set 1.2: A 80 ASN : amide:sc= -0.186 X(o=-0.37,f=-0.0076) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 39:sc= 0.225 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 51:sc= -1 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.693 USER MOD Single : A 14 LYS NZ :NH3+ 151:sc= -0.0889 (180deg=-0.654) USER MOD Single : A 17 MET CE :methyl -170:sc= 0 (180deg=-0.0802) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -1.16 K(o=-1.2,f=-5.2!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -128:sc= -0.746 USER MOD Single : A 38 MET CE :methyl 150:sc= 0 (180deg=-0.11) USER MOD Single : A 41 SER OG : rot 91:sc= 0.644 USER MOD Single : A 43 GLN : amide:sc= -0.214 K(o=-0.21,f=-1.1) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -162:sc= -0.021 (180deg=-0.29) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.687 X(o=-0.69,f=-0.92) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HE2:sc= -1.65 K(o=-1.6,f=-4.2!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.517 K(o=-0.52,f=-1.1) USER MOD Single : A 78 ASN : amide:sc= -0.148 K(o=-0.15,f=-1.2!) USER MOD Single : A 79 HIS : no HD1:sc= -0.0616 X(o=-0.062,f=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS : no HD1:sc= -0.155 X(o=-0.15,f=-0.05) USER MOD Single : A 86 HIS : no HD1:sc= -0.0638 X(o=-0.064,f=-0.24) USER MOD Single : A 87 SER OG : rot 180:sc= -0.199 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.210 22.209 21.028 1.00 0.00 N ATOM 2 CA GLY A 1 -5.179 22.831 19.717 1.00 0.00 C ATOM 3 C GLY A 1 -3.814 23.393 19.374 1.00 0.00 C ATOM 4 O GLY A 1 -3.623 24.609 19.352 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.164 21.841 21.215 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.525 21.427 21.057 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.963 22.913 21.752 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.466 22.098 18.963 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.918 23.632 19.681 1.00 0.00 H new ATOM 8 N SER A 2 -2.860 22.506 19.108 1.00 0.00 N ATOM 9 CA SER A 2 -1.504 22.921 18.770 1.00 0.00 C ATOM 10 C SER A 2 -1.151 22.515 17.342 1.00 0.00 C ATOM 11 O SER A 2 -0.641 23.321 16.564 1.00 0.00 O ATOM 12 CB SER A 2 -0.501 22.306 19.749 1.00 0.00 C ATOM 13 OG SER A 2 -1.139 21.394 20.626 1.00 0.00 O ATOM 0 H SER A 2 -3.001 21.496 19.120 1.00 0.00 H new ATOM 0 HA SER A 2 -1.454 24.007 18.843 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.285 21.793 19.195 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.021 23.096 20.327 1.00 0.00 H new ATOM 0 HG SER A 2 -0.477 21.013 21.240 1.00 0.00 H new ATOM 19 N SER A 3 -1.428 21.259 17.005 1.00 0.00 N ATOM 20 CA SER A 3 -1.138 20.744 15.672 1.00 0.00 C ATOM 21 C SER A 3 0.360 20.794 15.385 1.00 0.00 C ATOM 22 O SER A 3 1.160 21.128 16.258 1.00 0.00 O ATOM 23 CB SER A 3 -1.899 21.546 14.615 1.00 0.00 C ATOM 24 OG SER A 3 -2.602 20.689 13.732 1.00 0.00 O ATOM 0 H SER A 3 -1.853 20.580 17.637 1.00 0.00 H new ATOM 0 HA SER A 3 -1.464 19.705 15.632 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.599 22.224 15.103 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.200 22.162 14.049 1.00 0.00 H new ATOM 0 HG SER A 3 -3.081 21.226 13.067 1.00 0.00 H new ATOM 30 N GLY A 4 0.731 20.460 14.152 1.00 0.00 N ATOM 31 CA GLY A 4 2.131 20.474 13.771 1.00 0.00 C ATOM 32 C GLY A 4 2.514 19.273 12.928 1.00 0.00 C ATOM 33 O GLY A 4 2.251 19.241 11.726 1.00 0.00 O ATOM 0 H GLY A 4 0.088 20.180 13.412 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.344 21.387 13.215 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.749 20.496 14.669 1.00 0.00 H new ATOM 37 N SER A 5 3.138 18.284 13.559 1.00 0.00 N ATOM 38 CA SER A 5 3.563 17.077 12.858 1.00 0.00 C ATOM 39 C SER A 5 2.403 16.097 12.712 1.00 0.00 C ATOM 40 O SER A 5 1.871 15.595 13.703 1.00 0.00 O ATOM 41 CB SER A 5 4.719 16.409 13.605 1.00 0.00 C ATOM 42 OG SER A 5 4.413 16.247 14.979 1.00 0.00 O ATOM 0 H SER A 5 3.361 18.294 14.554 1.00 0.00 H new ATOM 0 HA SER A 5 3.901 17.364 11.862 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.931 15.437 13.159 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.621 17.012 13.499 1.00 0.00 H new ATOM 0 HG SER A 5 3.472 15.993 15.077 1.00 0.00 H new ATOM 48 N SER A 6 2.015 15.830 11.469 1.00 0.00 N ATOM 49 CA SER A 6 0.915 14.913 11.192 1.00 0.00 C ATOM 50 C SER A 6 1.192 14.099 9.932 1.00 0.00 C ATOM 51 O SER A 6 1.532 14.650 8.886 1.00 0.00 O ATOM 52 CB SER A 6 -0.395 15.687 11.036 1.00 0.00 C ATOM 53 OG SER A 6 -1.164 15.633 12.225 1.00 0.00 O ATOM 0 H SER A 6 2.446 16.235 10.638 1.00 0.00 H new ATOM 0 HA SER A 6 0.825 14.227 12.034 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.180 16.726 10.785 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.970 15.272 10.208 1.00 0.00 H new ATOM 0 HG SER A 6 -1.995 16.137 12.100 1.00 0.00 H new ATOM 59 N GLY A 7 1.042 12.782 10.040 1.00 0.00 N ATOM 60 CA GLY A 7 1.280 11.912 8.903 1.00 0.00 C ATOM 61 C GLY A 7 0.497 10.617 8.991 1.00 0.00 C ATOM 62 O GLY A 7 -0.595 10.580 9.557 1.00 0.00 O ATOM 0 H GLY A 7 0.760 12.302 10.895 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.009 12.435 7.986 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.344 11.686 8.839 1.00 0.00 H new ATOM 66 N PHE A 8 1.057 9.550 8.429 1.00 0.00 N ATOM 67 CA PHE A 8 0.403 8.247 8.444 1.00 0.00 C ATOM 68 C PHE A 8 1.394 7.146 8.809 1.00 0.00 C ATOM 69 O PHE A 8 2.359 6.897 8.085 1.00 0.00 O ATOM 70 CB PHE A 8 -0.225 7.952 7.080 1.00 0.00 C ATOM 71 CG PHE A 8 -1.515 8.684 6.843 1.00 0.00 C ATOM 72 CD1 PHE A 8 -2.682 8.279 7.471 1.00 0.00 C ATOM 73 CD2 PHE A 8 -1.560 9.777 5.993 1.00 0.00 C ATOM 74 CE1 PHE A 8 -3.870 8.950 7.254 1.00 0.00 C ATOM 75 CE2 PHE A 8 -2.746 10.452 5.772 1.00 0.00 C ATOM 76 CZ PHE A 8 -3.902 10.039 6.405 1.00 0.00 C ATOM 0 H PHE A 8 1.962 9.563 7.958 1.00 0.00 H new ATOM 0 HA PHE A 8 -0.382 8.271 9.200 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.484 8.219 6.297 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -0.404 6.880 6.995 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.663 7.429 8.137 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.658 10.105 5.497 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.773 8.623 7.748 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.769 11.301 5.105 1.00 0.00 H new ATOM 0 HZ PHE A 8 -4.829 10.567 6.236 1.00 0.00 H new ATOM 86 N THR A 9 1.150 6.489 9.939 1.00 0.00 N ATOM 87 CA THR A 9 2.021 5.416 10.402 1.00 0.00 C ATOM 88 C THR A 9 1.245 4.116 10.579 1.00 0.00 C ATOM 89 O THR A 9 0.107 4.120 11.051 1.00 0.00 O ATOM 90 CB THR A 9 2.700 5.780 11.736 1.00 0.00 C ATOM 91 OG1 THR A 9 2.032 6.894 12.338 1.00 0.00 O ATOM 92 CG2 THR A 9 4.168 6.118 11.521 1.00 0.00 C ATOM 0 H THR A 9 0.356 6.681 10.550 1.00 0.00 H new ATOM 0 HA THR A 9 2.786 5.278 9.638 1.00 0.00 H new ATOM 0 HB THR A 9 2.635 4.917 12.399 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.469 7.118 13.186 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.627 6.372 12.477 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.680 5.258 11.090 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.250 6.967 10.842 1.00 0.00 H new ATOM 100 N CYS A 10 1.866 3.005 10.198 1.00 0.00 N ATOM 101 CA CYS A 10 1.232 1.696 10.315 1.00 0.00 C ATOM 102 C CYS A 10 1.425 1.122 11.714 1.00 0.00 C ATOM 103 O CYS A 10 2.533 1.083 12.249 1.00 0.00 O ATOM 104 CB CYS A 10 1.805 0.735 9.272 1.00 0.00 C ATOM 105 SG CYS A 10 0.826 -0.767 9.037 1.00 0.00 S ATOM 0 H CYS A 10 2.807 2.984 9.806 1.00 0.00 H new ATOM 0 HA CYS A 10 0.164 1.819 10.137 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.885 1.257 8.318 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.816 0.455 9.568 1.00 0.00 H new ATOM 0 HG CYS A 10 -0.418 -0.447 8.835 1.00 0.00 H new ATOM 111 N PRO A 11 0.321 0.666 12.324 1.00 0.00 N ATOM 112 CA PRO A 11 0.342 0.086 13.671 1.00 0.00 C ATOM 113 C PRO A 11 1.040 -1.269 13.707 1.00 0.00 C ATOM 114 O PRO A 11 1.294 -1.818 14.780 1.00 0.00 O ATOM 115 CB PRO A 11 -1.142 -0.067 14.014 1.00 0.00 C ATOM 116 CG PRO A 11 -1.827 -0.174 12.696 1.00 0.00 C ATOM 117 CD PRO A 11 -1.034 0.681 11.747 1.00 0.00 C ATOM 0 HA PRO A 11 0.894 0.709 14.375 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.318 -0.953 14.624 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.507 0.789 14.582 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.859 -1.209 12.355 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.859 0.171 12.763 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.044 0.275 10.736 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.434 1.693 11.688 1.00 0.00 H new ATOM 125 N ILE A 12 1.349 -1.802 12.530 1.00 0.00 N ATOM 126 CA ILE A 12 2.019 -3.093 12.429 1.00 0.00 C ATOM 127 C ILE A 12 3.517 -2.918 12.204 1.00 0.00 C ATOM 128 O ILE A 12 4.328 -3.223 13.079 1.00 0.00 O ATOM 129 CB ILE A 12 1.435 -3.942 11.285 1.00 0.00 C ATOM 130 CG1 ILE A 12 -0.075 -4.113 11.467 1.00 0.00 C ATOM 131 CG2 ILE A 12 2.124 -5.298 11.227 1.00 0.00 C ATOM 132 CD1 ILE A 12 -0.742 -4.843 10.322 1.00 0.00 C ATOM 0 H ILE A 12 1.146 -1.360 11.633 1.00 0.00 H new ATOM 0 HA ILE A 12 1.854 -3.610 13.374 1.00 0.00 H new ATOM 0 HB ILE A 12 1.612 -3.425 10.342 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.262 -4.657 12.393 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.533 -3.130 11.577 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.700 -5.887 10.413 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.191 -5.157 11.055 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.975 -5.823 12.171 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.811 -4.928 10.518 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.586 -4.288 9.397 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.310 -5.839 10.225 1.00 0.00 H new ATOM 144 N THR A 13 3.879 -2.422 11.024 1.00 0.00 N ATOM 145 CA THR A 13 5.279 -2.206 10.683 1.00 0.00 C ATOM 146 C THR A 13 5.878 -1.075 11.512 1.00 0.00 C ATOM 147 O THR A 13 7.097 -0.973 11.652 1.00 0.00 O ATOM 148 CB THR A 13 5.449 -1.877 9.188 1.00 0.00 C ATOM 149 OG1 THR A 13 4.597 -0.783 8.827 1.00 0.00 O ATOM 150 CG2 THR A 13 5.120 -3.087 8.327 1.00 0.00 C ATOM 0 H THR A 13 3.221 -2.163 10.289 1.00 0.00 H new ATOM 0 HA THR A 13 5.805 -3.134 10.905 1.00 0.00 H new ATOM 0 HB THR A 13 6.489 -1.600 9.016 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.712 -0.579 7.875 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.247 -2.831 7.275 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.789 -3.909 8.584 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.088 -3.390 8.504 1.00 0.00 H new ATOM 158 N LYS A 14 5.014 -0.228 12.060 1.00 0.00 N ATOM 159 CA LYS A 14 5.457 0.896 12.877 1.00 0.00 C ATOM 160 C LYS A 14 6.286 1.875 12.052 1.00 0.00 C ATOM 161 O LYS A 14 7.270 2.431 12.539 1.00 0.00 O ATOM 162 CB LYS A 14 6.276 0.394 14.069 1.00 0.00 C ATOM 163 CG LYS A 14 5.611 -0.740 14.829 1.00 0.00 C ATOM 164 CD LYS A 14 4.224 -0.350 15.312 1.00 0.00 C ATOM 165 CE LYS A 14 3.876 -1.038 16.623 1.00 0.00 C ATOM 166 NZ LYS A 14 4.788 -0.624 17.725 1.00 0.00 N ATOM 0 H LYS A 14 4.002 -0.298 11.953 1.00 0.00 H new ATOM 0 HA LYS A 14 4.573 1.417 13.245 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.251 0.060 13.714 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.453 1.224 14.753 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.540 -1.617 14.186 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.229 -1.019 15.682 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.174 0.731 15.443 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.486 -0.614 14.554 1.00 0.00 H new ATOM 0 HE2 LYS A 14 2.847 -0.802 16.895 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.932 -2.119 16.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.285 -0.684 18.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.616 -1.253 17.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.102 0.355 17.567 1.00 0.00 H new ATOM 180 N GLU A 15 5.881 2.081 10.803 1.00 0.00 N ATOM 181 CA GLU A 15 6.588 2.994 9.913 1.00 0.00 C ATOM 182 C GLU A 15 5.607 3.759 9.027 1.00 0.00 C ATOM 183 O GLU A 15 4.395 3.567 9.118 1.00 0.00 O ATOM 184 CB GLU A 15 7.584 2.225 9.043 1.00 0.00 C ATOM 185 CG GLU A 15 8.405 1.206 9.815 1.00 0.00 C ATOM 186 CD GLU A 15 9.774 0.977 9.204 1.00 0.00 C ATOM 187 OE1 GLU A 15 9.891 1.060 7.964 1.00 0.00 O ATOM 188 OE2 GLU A 15 10.728 0.714 9.966 1.00 0.00 O ATOM 0 H GLU A 15 5.068 1.629 10.385 1.00 0.00 H new ATOM 0 HA GLU A 15 7.132 3.711 10.528 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.041 1.714 8.248 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.258 2.934 8.563 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.523 1.544 10.844 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.864 0.260 9.850 1.00 0.00 H new ATOM 195 N GLU A 16 6.142 4.625 8.173 1.00 0.00 N ATOM 196 CA GLU A 16 5.314 5.419 7.272 1.00 0.00 C ATOM 197 C GLU A 16 4.543 4.521 6.309 1.00 0.00 C ATOM 198 O GLU A 16 5.021 3.456 5.918 1.00 0.00 O ATOM 199 CB GLU A 16 6.179 6.405 6.485 1.00 0.00 C ATOM 200 CG GLU A 16 5.430 7.650 6.039 1.00 0.00 C ATOM 201 CD GLU A 16 6.307 8.887 6.031 1.00 0.00 C ATOM 202 OE1 GLU A 16 6.844 9.240 7.102 1.00 0.00 O ATOM 203 OE2 GLU A 16 6.456 9.503 4.955 1.00 0.00 O ATOM 0 H GLU A 16 7.144 4.795 8.086 1.00 0.00 H new ATOM 0 HA GLU A 16 4.597 5.976 7.875 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.028 6.703 7.101 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.583 5.901 5.607 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.027 7.488 5.039 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.581 7.816 6.702 1.00 0.00 H new ATOM 210 N MET A 17 3.347 4.959 5.931 1.00 0.00 N ATOM 211 CA MET A 17 2.509 4.196 5.013 1.00 0.00 C ATOM 212 C MET A 17 2.477 4.850 3.635 1.00 0.00 C ATOM 213 O MET A 17 2.362 6.070 3.517 1.00 0.00 O ATOM 214 CB MET A 17 1.087 4.076 5.566 1.00 0.00 C ATOM 215 CG MET A 17 1.026 3.466 6.957 1.00 0.00 C ATOM 216 SD MET A 17 -0.477 2.510 7.231 1.00 0.00 S ATOM 217 CE MET A 17 -1.729 3.764 6.970 1.00 0.00 C ATOM 0 H MET A 17 2.936 5.838 6.246 1.00 0.00 H new ATOM 0 HA MET A 17 2.938 3.199 4.913 1.00 0.00 H new ATOM 0 HB2 MET A 17 0.631 5.066 5.592 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.491 3.468 4.885 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.893 2.823 7.106 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.087 4.260 7.701 1.00 0.00 H new ATOM 0 HE1 MET A 17 -2.701 3.377 7.276 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.488 4.647 7.561 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.761 4.032 5.914 1.00 0.00 H new ATOM 227 N LYS A 18 2.580 4.030 2.594 1.00 0.00 N ATOM 228 CA LYS A 18 2.563 4.528 1.223 1.00 0.00 C ATOM 229 C LYS A 18 1.353 3.991 0.465 1.00 0.00 C ATOM 230 O LYS A 18 0.834 4.644 -0.440 1.00 0.00 O ATOM 231 CB LYS A 18 3.850 4.130 0.498 1.00 0.00 C ATOM 232 CG LYS A 18 5.114 4.493 1.258 1.00 0.00 C ATOM 233 CD LYS A 18 5.375 5.989 1.223 1.00 0.00 C ATOM 234 CE LYS A 18 6.857 6.292 1.057 1.00 0.00 C ATOM 235 NZ LYS A 18 7.169 7.716 1.360 1.00 0.00 N ATOM 0 H LYS A 18 2.676 3.018 2.674 1.00 0.00 H new ATOM 0 HA LYS A 18 2.495 5.615 1.258 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.839 3.055 0.320 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.872 4.614 -0.478 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.025 4.162 2.293 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.964 3.964 0.826 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.816 6.438 0.402 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.010 6.445 2.143 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.436 5.645 1.716 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.163 6.062 0.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.613 8.158 0.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.291 8.222 1.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.821 7.764 2.169 1.00 0.00 H new ATOM 249 N LYS A 19 0.907 2.797 0.841 1.00 0.00 N ATOM 250 CA LYS A 19 -0.244 2.172 0.200 1.00 0.00 C ATOM 251 C LYS A 19 -1.319 1.829 1.225 1.00 0.00 C ATOM 252 O LYS A 19 -1.415 0.699 1.705 1.00 0.00 O ATOM 253 CB LYS A 19 0.187 0.907 -0.547 1.00 0.00 C ATOM 254 CG LYS A 19 0.748 1.179 -1.932 1.00 0.00 C ATOM 255 CD LYS A 19 2.259 1.020 -1.963 1.00 0.00 C ATOM 256 CE LYS A 19 2.662 -0.401 -2.327 1.00 0.00 C ATOM 257 NZ LYS A 19 2.956 -0.539 -3.780 1.00 0.00 N ATOM 0 H LYS A 19 1.326 2.242 1.587 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.662 2.883 -0.513 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.939 0.385 0.044 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.669 0.238 -0.636 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.295 0.495 -2.650 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.481 2.189 -2.242 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.685 1.716 -2.685 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.673 1.279 -0.989 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.541 -0.688 -1.750 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.861 -1.087 -2.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.227 -1.521 -3.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.110 -0.289 -4.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.737 0.097 -4.038 1.00 0.00 H new ATOM 271 N PRO A 20 -2.149 2.824 1.570 1.00 0.00 N ATOM 272 CA PRO A 20 -3.233 2.651 2.541 1.00 0.00 C ATOM 273 C PRO A 20 -4.356 1.770 2.004 1.00 0.00 C ATOM 274 O PRO A 20 -4.907 2.031 0.935 1.00 0.00 O ATOM 275 CB PRO A 20 -3.737 4.078 2.770 1.00 0.00 C ATOM 276 CG PRO A 20 -3.376 4.811 1.524 1.00 0.00 C ATOM 277 CD PRO A 20 -2.092 4.197 1.038 1.00 0.00 C ATOM 0 HA PRO A 20 -2.891 2.155 3.449 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.813 4.095 2.942 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.267 4.528 3.645 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -4.162 4.717 0.774 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -3.249 5.876 1.721 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.029 4.204 -0.050 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.222 4.737 1.411 1.00 0.00 H new ATOM 285 N VAL A 21 -4.692 0.724 2.754 1.00 0.00 N ATOM 286 CA VAL A 21 -5.750 -0.195 2.354 1.00 0.00 C ATOM 287 C VAL A 21 -6.892 -0.191 3.365 1.00 0.00 C ATOM 288 O VAL A 21 -6.689 -0.462 4.548 1.00 0.00 O ATOM 289 CB VAL A 21 -5.218 -1.632 2.203 1.00 0.00 C ATOM 290 CG1 VAL A 21 -4.311 -1.740 0.987 1.00 0.00 C ATOM 291 CG2 VAL A 21 -4.487 -2.065 3.465 1.00 0.00 C ATOM 0 H VAL A 21 -4.246 0.493 3.642 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.121 0.150 1.389 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.065 -2.301 2.055 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.944 -2.762 0.896 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.871 -1.474 0.090 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.466 -1.061 1.102 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.118 -3.083 3.340 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.647 -1.394 3.647 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.171 -2.028 4.313 1.00 0.00 H new ATOM 301 N LYS A 22 -8.094 0.118 2.890 1.00 0.00 N ATOM 302 CA LYS A 22 -9.270 0.155 3.750 1.00 0.00 C ATOM 303 C LYS A 22 -10.034 -1.164 3.686 1.00 0.00 C ATOM 304 O LYS A 22 -10.150 -1.773 2.624 1.00 0.00 O ATOM 305 CB LYS A 22 -10.190 1.309 3.342 1.00 0.00 C ATOM 306 CG LYS A 22 -11.258 1.629 4.373 1.00 0.00 C ATOM 307 CD LYS A 22 -12.513 2.185 3.720 1.00 0.00 C ATOM 308 CE LYS A 22 -13.262 1.110 2.947 1.00 0.00 C ATOM 309 NZ LYS A 22 -14.550 1.617 2.397 1.00 0.00 N ATOM 0 H LYS A 22 -8.279 0.347 1.913 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.934 0.310 4.775 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.586 2.200 3.168 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.672 1.061 2.396 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.507 0.727 4.933 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.868 2.352 5.090 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.166 2.607 4.484 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.244 2.999 3.046 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.637 0.747 2.131 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.456 0.261 3.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -15.030 0.854 1.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -15.157 1.940 3.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.363 2.411 1.752 1.00 0.00 H new ATOM 323 N ASN A 23 -10.552 -1.598 4.830 1.00 0.00 N ATOM 324 CA ASN A 23 -11.305 -2.845 4.904 1.00 0.00 C ATOM 325 C ASN A 23 -12.792 -2.597 4.666 1.00 0.00 C ATOM 326 O ASN A 23 -13.319 -1.539 5.008 1.00 0.00 O ATOM 327 CB ASN A 23 -11.099 -3.510 6.266 1.00 0.00 C ATOM 328 CG ASN A 23 -10.986 -5.019 6.161 1.00 0.00 C ATOM 329 OD1 ASN A 23 -10.409 -5.544 5.210 1.00 0.00 O ATOM 330 ND2 ASN A 23 -11.538 -5.723 7.143 1.00 0.00 N ATOM 0 H ASN A 23 -10.464 -1.105 5.719 1.00 0.00 H new ATOM 0 HA ASN A 23 -10.936 -3.510 4.123 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -10.196 -3.112 6.729 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.932 -3.255 6.921 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.493 -6.742 7.128 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -12.007 -5.245 7.912 1.00 0.00 H new ATOM 337 N LYS A 24 -13.463 -3.581 4.077 1.00 0.00 N ATOM 338 CA LYS A 24 -14.889 -3.473 3.795 1.00 0.00 C ATOM 339 C LYS A 24 -15.717 -3.881 5.009 1.00 0.00 C ATOM 340 O LYS A 24 -16.863 -3.459 5.162 1.00 0.00 O ATOM 341 CB LYS A 24 -15.260 -4.347 2.594 1.00 0.00 C ATOM 342 CG LYS A 24 -14.294 -4.222 1.429 1.00 0.00 C ATOM 343 CD LYS A 24 -15.030 -4.105 0.105 1.00 0.00 C ATOM 344 CE LYS A 24 -15.654 -5.430 -0.304 1.00 0.00 C ATOM 345 NZ LYS A 24 -16.599 -5.270 -1.444 1.00 0.00 N ATOM 0 H LYS A 24 -13.041 -4.463 3.786 1.00 0.00 H new ATOM 0 HA LYS A 24 -15.109 -2.431 3.561 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.300 -5.389 2.912 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -16.261 -4.079 2.256 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.660 -3.347 1.573 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.637 -5.091 1.405 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -15.807 -3.345 0.185 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.338 -3.773 -0.669 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.867 -6.132 -0.580 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -16.181 -5.861 0.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.003 -6.196 -1.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -17.364 -4.620 -1.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.091 -4.883 -2.264 1.00 0.00 H new ATOM 359 N VAL A 25 -15.129 -4.704 5.871 1.00 0.00 N ATOM 360 CA VAL A 25 -15.812 -5.167 7.074 1.00 0.00 C ATOM 361 C VAL A 25 -15.805 -4.094 8.157 1.00 0.00 C ATOM 362 O VAL A 25 -16.853 -3.563 8.526 1.00 0.00 O ATOM 363 CB VAL A 25 -15.161 -6.447 7.631 1.00 0.00 C ATOM 364 CG1 VAL A 25 -16.001 -7.027 8.758 1.00 0.00 C ATOM 365 CG2 VAL A 25 -14.962 -7.470 6.522 1.00 0.00 C ATOM 0 H VAL A 25 -14.181 -5.064 5.759 1.00 0.00 H new ATOM 0 HA VAL A 25 -16.841 -5.386 6.790 1.00 0.00 H new ATOM 0 HB VAL A 25 -14.182 -6.189 8.036 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -15.525 -7.931 9.139 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -16.086 -6.296 9.562 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -16.995 -7.271 8.383 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -14.501 -8.368 6.934 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -15.927 -7.725 6.085 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -14.315 -7.050 5.752 1.00 0.00 H new ATOM 375 N CYS A 26 -14.618 -3.778 8.662 1.00 0.00 N ATOM 376 CA CYS A 26 -14.474 -2.768 9.703 1.00 0.00 C ATOM 377 C CYS A 26 -14.430 -1.367 9.100 1.00 0.00 C ATOM 378 O CYS A 26 -15.334 -0.560 9.312 1.00 0.00 O ATOM 379 CB CYS A 26 -13.205 -3.024 10.519 1.00 0.00 C ATOM 380 SG CYS A 26 -12.823 -1.717 11.730 1.00 0.00 S ATOM 0 H CYS A 26 -13.741 -4.207 8.367 1.00 0.00 H new ATOM 0 HA CYS A 26 -15.341 -2.834 10.361 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -13.310 -3.973 11.045 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.362 -3.129 9.836 1.00 0.00 H new ATOM 385 N GLY A 27 -13.371 -1.086 8.346 1.00 0.00 N ATOM 386 CA GLY A 27 -13.229 0.217 7.723 1.00 0.00 C ATOM 387 C GLY A 27 -11.871 0.839 7.984 1.00 0.00 C ATOM 388 O GLY A 27 -11.471 1.782 7.301 1.00 0.00 O ATOM 0 H GLY A 27 -12.609 -1.737 8.156 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.381 0.121 6.648 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.008 0.882 8.097 1.00 0.00 H new ATOM 392 N HIS A 28 -11.161 0.311 8.976 1.00 0.00 N ATOM 393 CA HIS A 28 -9.840 0.822 9.326 1.00 0.00 C ATOM 394 C HIS A 28 -8.924 0.840 8.106 1.00 0.00 C ATOM 395 O HIS A 28 -9.286 0.349 7.036 1.00 0.00 O ATOM 396 CB HIS A 28 -9.218 -0.030 10.433 1.00 0.00 C ATOM 397 CG HIS A 28 -9.495 0.485 11.812 1.00 0.00 C ATOM 398 ND1 HIS A 28 -9.816 -0.337 12.871 1.00 0.00 N ATOM 399 CD2 HIS A 28 -9.495 1.746 12.302 1.00 0.00 C ATOM 400 CE1 HIS A 28 -10.004 0.397 13.953 1.00 0.00 C ATOM 401 NE2 HIS A 28 -9.815 1.665 13.635 1.00 0.00 N ATOM 0 H HIS A 28 -11.478 -0.470 9.551 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.956 1.844 9.686 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.596 -1.049 10.352 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -8.140 -0.077 10.281 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.283 2.648 11.748 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -10.268 0.024 14.932 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.894 2.455 14.275 1.00 0.00 H new ATOM 409 N THR A 29 -7.735 1.412 8.273 1.00 0.00 N ATOM 410 CA THR A 29 -6.768 1.497 7.186 1.00 0.00 C ATOM 411 C THR A 29 -5.390 1.029 7.639 1.00 0.00 C ATOM 412 O THR A 29 -4.949 1.344 8.744 1.00 0.00 O ATOM 413 CB THR A 29 -6.658 2.934 6.643 1.00 0.00 C ATOM 414 OG1 THR A 29 -7.573 3.790 7.334 1.00 0.00 O ATOM 415 CG2 THR A 29 -6.949 2.972 5.150 1.00 0.00 C ATOM 0 H THR A 29 -7.419 1.823 9.151 1.00 0.00 H new ATOM 0 HA THR A 29 -7.127 0.843 6.391 1.00 0.00 H new ATOM 0 HB THR A 29 -5.639 3.284 6.808 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.496 4.702 6.984 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.865 3.997 4.789 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.232 2.342 4.623 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.958 2.604 4.967 1.00 0.00 H new ATOM 423 N TYR A 30 -4.713 0.278 6.778 1.00 0.00 N ATOM 424 CA TYR A 30 -3.384 -0.234 7.090 1.00 0.00 C ATOM 425 C TYR A 30 -2.479 -0.186 5.863 1.00 0.00 C ATOM 426 O TYR A 30 -2.909 0.200 4.777 1.00 0.00 O ATOM 427 CB TYR A 30 -3.477 -1.669 7.613 1.00 0.00 C ATOM 428 CG TYR A 30 -4.668 -1.910 8.513 1.00 0.00 C ATOM 429 CD1 TYR A 30 -4.727 -1.353 9.784 1.00 0.00 C ATOM 430 CD2 TYR A 30 -5.735 -2.693 8.091 1.00 0.00 C ATOM 431 CE1 TYR A 30 -5.812 -1.571 10.610 1.00 0.00 C ATOM 432 CE2 TYR A 30 -6.826 -2.915 8.909 1.00 0.00 C ATOM 433 CZ TYR A 30 -6.859 -2.352 10.168 1.00 0.00 C ATOM 434 OH TYR A 30 -7.944 -2.571 10.987 1.00 0.00 O ATOM 0 H TYR A 30 -5.063 0.010 5.858 1.00 0.00 H new ATOM 0 HA TYR A 30 -2.951 0.400 7.863 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.528 -2.353 6.766 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.565 -1.907 8.160 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -3.910 -0.739 10.132 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -5.711 -3.136 7.106 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.840 -1.132 11.596 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -7.648 -3.525 8.565 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.120 -3.533 11.047 1.00 0.00 H new ATOM 444 N GLU A 31 -1.223 -0.580 6.046 1.00 0.00 N ATOM 445 CA GLU A 31 -0.256 -0.582 4.955 1.00 0.00 C ATOM 446 C GLU A 31 -0.363 -1.865 4.135 1.00 0.00 C ATOM 447 O GLU A 31 -0.659 -2.932 4.671 1.00 0.00 O ATOM 448 CB GLU A 31 1.165 -0.430 5.502 1.00 0.00 C ATOM 449 CG GLU A 31 2.246 -0.671 4.462 1.00 0.00 C ATOM 450 CD GLU A 31 3.504 0.132 4.732 1.00 0.00 C ATOM 451 OE1 GLU A 31 3.616 0.708 5.834 1.00 0.00 O ATOM 452 OE2 GLU A 31 4.377 0.184 3.840 1.00 0.00 O ATOM 0 H GLU A 31 -0.851 -0.902 6.940 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.479 0.264 4.305 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.283 0.574 5.910 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.304 -1.128 6.327 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.494 -1.732 4.441 1.00 0.00 H new ATOM 0 HG3 GLU A 31 1.860 -0.414 3.476 1.00 0.00 H new ATOM 459 N GLU A 32 -0.120 -1.750 2.833 1.00 0.00 N ATOM 460 CA GLU A 32 -0.191 -2.901 1.940 1.00 0.00 C ATOM 461 C GLU A 32 0.704 -4.032 2.438 1.00 0.00 C ATOM 462 O GLU A 32 0.219 -5.082 2.860 1.00 0.00 O ATOM 463 CB GLU A 32 0.219 -2.499 0.521 1.00 0.00 C ATOM 464 CG GLU A 32 -0.275 -3.457 -0.549 1.00 0.00 C ATOM 465 CD GLU A 32 -0.102 -2.905 -1.951 1.00 0.00 C ATOM 466 OE1 GLU A 32 -0.477 -1.736 -2.179 1.00 0.00 O ATOM 467 OE2 GLU A 32 0.409 -3.643 -2.820 1.00 0.00 O ATOM 0 H GLU A 32 0.127 -0.873 2.374 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.222 -3.255 1.927 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.166 -1.501 0.309 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.306 -2.439 0.469 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.265 -4.400 -0.465 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.329 -3.677 -0.376 1.00 0.00 H new ATOM 474 N ASP A 33 2.013 -3.810 2.385 1.00 0.00 N ATOM 475 CA ASP A 33 2.977 -4.810 2.831 1.00 0.00 C ATOM 476 C ASP A 33 2.627 -5.317 4.226 1.00 0.00 C ATOM 477 O ASP A 33 2.907 -6.466 4.568 1.00 0.00 O ATOM 478 CB ASP A 33 4.390 -4.224 2.827 1.00 0.00 C ATOM 479 CG ASP A 33 4.743 -3.572 1.504 1.00 0.00 C ATOM 480 OD1 ASP A 33 4.469 -2.364 1.347 1.00 0.00 O ATOM 481 OD2 ASP A 33 5.292 -4.270 0.626 1.00 0.00 O ATOM 0 H ASP A 33 2.431 -2.947 2.038 1.00 0.00 H new ATOM 0 HA ASP A 33 2.939 -5.651 2.138 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.477 -3.488 3.626 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.109 -5.015 3.042 1.00 0.00 H new ATOM 486 N ALA A 34 2.014 -4.453 5.028 1.00 0.00 N ATOM 487 CA ALA A 34 1.626 -4.814 6.386 1.00 0.00 C ATOM 488 C ALA A 34 0.496 -5.838 6.380 1.00 0.00 C ATOM 489 O ALA A 34 0.657 -6.957 6.867 1.00 0.00 O ATOM 490 CB ALA A 34 1.212 -3.573 7.164 1.00 0.00 C ATOM 0 H ALA A 34 1.775 -3.498 4.761 1.00 0.00 H new ATOM 0 HA ALA A 34 2.488 -5.266 6.876 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.925 -3.857 8.176 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.048 -2.875 7.207 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.367 -3.097 6.667 1.00 0.00 H new ATOM 496 N ILE A 35 -0.647 -5.447 5.826 1.00 0.00 N ATOM 497 CA ILE A 35 -1.803 -6.332 5.756 1.00 0.00 C ATOM 498 C ILE A 35 -1.507 -7.557 4.898 1.00 0.00 C ATOM 499 O ILE A 35 -2.177 -8.584 5.011 1.00 0.00 O ATOM 500 CB ILE A 35 -3.035 -5.605 5.186 1.00 0.00 C ATOM 501 CG1 ILE A 35 -4.286 -6.471 5.348 1.00 0.00 C ATOM 502 CG2 ILE A 35 -2.813 -5.256 3.721 1.00 0.00 C ATOM 503 CD1 ILE A 35 -4.625 -6.778 6.790 1.00 0.00 C ATOM 0 H ILE A 35 -0.797 -4.524 5.419 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.019 -6.650 6.776 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.182 -4.679 5.743 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.132 -5.964 4.884 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.142 -7.408 4.810 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.692 -4.743 3.332 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.943 -4.606 3.630 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.644 -6.170 3.151 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.523 -7.395 6.829 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.796 -7.313 7.253 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.801 -5.847 7.329 1.00 0.00 H new ATOM 515 N VAL A 36 -0.498 -7.443 4.041 1.00 0.00 N ATOM 516 CA VAL A 36 -0.110 -8.542 3.165 1.00 0.00 C ATOM 517 C VAL A 36 0.838 -9.502 3.876 1.00 0.00 C ATOM 518 O VAL A 36 0.748 -10.718 3.705 1.00 0.00 O ATOM 519 CB VAL A 36 0.568 -8.025 1.882 1.00 0.00 C ATOM 520 CG1 VAL A 36 1.145 -9.182 1.080 1.00 0.00 C ATOM 521 CG2 VAL A 36 -0.418 -7.225 1.045 1.00 0.00 C ATOM 0 H VAL A 36 0.066 -6.600 3.934 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.024 -9.071 2.896 1.00 0.00 H new ATOM 0 HB VAL A 36 1.388 -7.366 2.165 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.620 -8.798 0.177 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.884 -9.709 1.683 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.345 -9.869 0.805 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.077 -6.867 0.142 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.260 -7.860 0.769 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.779 -6.374 1.622 1.00 0.00 H new ATOM 531 N ARG A 37 1.745 -8.948 4.674 1.00 0.00 N ATOM 532 CA ARG A 37 2.710 -9.756 5.410 1.00 0.00 C ATOM 533 C ARG A 37 2.084 -10.330 6.678 1.00 0.00 C ATOM 534 O ARG A 37 2.526 -11.358 7.189 1.00 0.00 O ATOM 535 CB ARG A 37 3.939 -8.919 5.769 1.00 0.00 C ATOM 536 CG ARG A 37 3.716 -7.984 6.946 1.00 0.00 C ATOM 537 CD ARG A 37 4.968 -7.182 7.265 1.00 0.00 C ATOM 538 NE ARG A 37 5.605 -7.631 8.500 1.00 0.00 N ATOM 539 CZ ARG A 37 6.847 -7.308 8.846 1.00 0.00 C ATOM 540 NH1 ARG A 37 7.580 -6.539 8.053 1.00 0.00 N ATOM 541 NH2 ARG A 37 7.357 -7.756 9.986 1.00 0.00 N ATOM 0 H ARG A 37 1.832 -7.943 4.827 1.00 0.00 H new ATOM 0 HA ARG A 37 3.016 -10.584 4.770 1.00 0.00 H new ATOM 0 HB2 ARG A 37 4.769 -9.587 5.999 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.234 -8.331 4.900 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.894 -7.304 6.721 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.420 -8.563 7.821 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.675 -7.270 6.440 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.710 -6.127 7.353 1.00 0.00 H new ATOM 0 HE ARG A 37 5.067 -8.225 9.132 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.191 -6.194 7.175 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.533 -6.292 8.320 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.796 -8.349 10.598 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.310 -7.508 10.251 1.00 0.00 H new ATOM 555 N MET A 38 1.053 -9.657 7.179 1.00 0.00 N ATOM 556 CA MET A 38 0.366 -10.100 8.387 1.00 0.00 C ATOM 557 C MET A 38 -0.504 -11.320 8.100 1.00 0.00 C ATOM 558 O MET A 38 -0.373 -12.355 8.756 1.00 0.00 O ATOM 559 CB MET A 38 -0.493 -8.969 8.955 1.00 0.00 C ATOM 560 CG MET A 38 -1.393 -9.406 10.099 1.00 0.00 C ATOM 561 SD MET A 38 -3.144 -9.321 9.676 1.00 0.00 S ATOM 562 CE MET A 38 -3.583 -7.728 10.367 1.00 0.00 C ATOM 0 H MET A 38 0.675 -8.804 6.768 1.00 0.00 H new ATOM 0 HA MET A 38 1.120 -10.378 9.123 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.159 -8.168 9.302 1.00 0.00 H new ATOM 0 HB3 MET A 38 -1.109 -8.555 8.157 1.00 0.00 H new ATOM 0 HG2 MET A 38 -1.141 -10.427 10.385 1.00 0.00 H new ATOM 0 HG3 MET A 38 -1.202 -8.776 10.968 1.00 0.00 H new ATOM 0 HE1 MET A 38 -4.391 -7.288 9.783 1.00 0.00 H new ATOM 0 HE2 MET A 38 -3.909 -7.857 11.399 1.00 0.00 H new ATOM 0 HE3 MET A 38 -2.716 -7.068 10.340 1.00 0.00 H new ATOM 572 N ILE A 39 -1.390 -11.192 7.119 1.00 0.00 N ATOM 573 CA ILE A 39 -2.280 -12.285 6.746 1.00 0.00 C ATOM 574 C ILE A 39 -1.489 -13.529 6.357 1.00 0.00 C ATOM 575 O ILE A 39 -1.874 -14.650 6.689 1.00 0.00 O ATOM 576 CB ILE A 39 -3.200 -11.888 5.577 1.00 0.00 C ATOM 577 CG1 ILE A 39 -4.034 -10.660 5.950 1.00 0.00 C ATOM 578 CG2 ILE A 39 -4.102 -13.051 5.194 1.00 0.00 C ATOM 579 CD1 ILE A 39 -4.697 -9.997 4.763 1.00 0.00 C ATOM 0 H ILE A 39 -1.511 -10.342 6.568 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.893 -12.506 7.620 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.581 -11.636 4.716 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -4.801 -10.955 6.666 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.393 -9.934 6.450 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.746 -12.755 4.366 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.491 -13.901 4.891 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.716 -13.332 6.049 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.271 -9.135 5.102 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.935 -9.670 4.056 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.364 -10.708 4.275 1.00 0.00 H new ATOM 591 N GLU A 40 -0.382 -13.323 5.651 1.00 0.00 N ATOM 592 CA GLU A 40 0.464 -14.429 5.217 1.00 0.00 C ATOM 593 C GLU A 40 1.178 -15.066 6.406 1.00 0.00 C ATOM 594 O GLU A 40 1.357 -16.283 6.456 1.00 0.00 O ATOM 595 CB GLU A 40 1.490 -13.944 4.192 1.00 0.00 C ATOM 596 CG GLU A 40 0.914 -13.752 2.799 1.00 0.00 C ATOM 597 CD GLU A 40 1.319 -14.858 1.843 1.00 0.00 C ATOM 598 OE1 GLU A 40 2.536 -15.063 1.653 1.00 0.00 O ATOM 599 OE2 GLU A 40 0.417 -15.518 1.285 1.00 0.00 O ATOM 0 H GLU A 40 -0.050 -12.401 5.367 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.174 -15.181 4.753 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.914 -13.000 4.534 1.00 0.00 H new ATOM 0 HB3 GLU A 40 2.309 -14.662 4.142 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.173 -13.711 2.862 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.246 -12.793 2.401 1.00 0.00 H new ATOM 606 N SER A 41 1.585 -14.235 7.359 1.00 0.00 N ATOM 607 CA SER A 41 2.285 -14.715 8.545 1.00 0.00 C ATOM 608 C SER A 41 1.328 -15.450 9.480 1.00 0.00 C ATOM 609 O SER A 41 1.682 -16.469 10.072 1.00 0.00 O ATOM 610 CB SER A 41 2.941 -13.548 9.284 1.00 0.00 C ATOM 611 OG SER A 41 4.141 -13.149 8.644 1.00 0.00 O ATOM 0 H SER A 41 1.442 -13.225 7.334 1.00 0.00 H new ATOM 0 HA SER A 41 3.059 -15.412 8.223 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.250 -12.706 9.326 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.153 -13.838 10.313 1.00 0.00 H new ATOM 0 HG SER A 41 3.944 -12.450 7.986 1.00 0.00 H new ATOM 617 N ARG A 42 0.114 -14.924 9.606 1.00 0.00 N ATOM 618 CA ARG A 42 -0.894 -15.528 10.469 1.00 0.00 C ATOM 619 C ARG A 42 -1.252 -16.931 9.988 1.00 0.00 C ATOM 620 O ARG A 42 -1.206 -17.891 10.757 1.00 0.00 O ATOM 621 CB ARG A 42 -2.150 -14.655 10.509 1.00 0.00 C ATOM 622 CG ARG A 42 -1.907 -13.262 11.066 1.00 0.00 C ATOM 623 CD ARG A 42 -2.497 -13.109 12.459 1.00 0.00 C ATOM 624 NE ARG A 42 -2.993 -11.756 12.698 1.00 0.00 N ATOM 625 CZ ARG A 42 -2.209 -10.731 13.013 1.00 0.00 C ATOM 626 NH1 ARG A 42 -0.899 -10.904 13.126 1.00 0.00 N ATOM 627 NH2 ARG A 42 -2.735 -9.530 13.215 1.00 0.00 N ATOM 0 H ARG A 42 -0.195 -14.081 9.122 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.479 -15.602 11.474 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.554 -14.568 9.500 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.908 -15.152 11.114 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.836 -13.064 11.100 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -2.347 -12.520 10.400 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.312 -13.822 12.588 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.739 -13.354 13.203 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.996 -11.589 12.619 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.491 -11.826 12.971 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.299 -10.115 13.368 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.742 -9.393 13.128 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.132 -8.743 13.457 1.00 0.00 H new ATOM 641 N GLN A 43 -1.607 -17.041 8.712 1.00 0.00 N ATOM 642 CA GLN A 43 -1.973 -18.327 8.129 1.00 0.00 C ATOM 643 C GLN A 43 -0.898 -19.374 8.402 1.00 0.00 C ATOM 644 O GLN A 43 -1.200 -20.546 8.626 1.00 0.00 O ATOM 645 CB GLN A 43 -2.193 -18.184 6.622 1.00 0.00 C ATOM 646 CG GLN A 43 -3.608 -18.518 6.179 1.00 0.00 C ATOM 647 CD GLN A 43 -3.645 -19.278 4.868 1.00 0.00 C ATOM 648 OE1 GLN A 43 -2.782 -20.113 4.597 1.00 0.00 O ATOM 649 NE2 GLN A 43 -4.648 -18.992 4.046 1.00 0.00 N ATOM 0 H GLN A 43 -1.649 -16.256 8.062 1.00 0.00 H new ATOM 0 HA GLN A 43 -2.902 -18.657 8.594 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -1.960 -17.162 6.325 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.494 -18.836 6.098 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -4.096 -19.111 6.952 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -4.180 -17.596 6.076 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -5.341 -18.293 4.311 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.725 -19.472 3.149 1.00 0.00 H new ATOM 658 N LYS A 44 0.359 -18.943 8.381 1.00 0.00 N ATOM 659 CA LYS A 44 1.480 -19.842 8.626 1.00 0.00 C ATOM 660 C LYS A 44 1.393 -20.452 10.021 1.00 0.00 C ATOM 661 O LYS A 44 1.733 -21.619 10.221 1.00 0.00 O ATOM 662 CB LYS A 44 2.805 -19.092 8.467 1.00 0.00 C ATOM 663 CG LYS A 44 3.052 -18.585 7.057 1.00 0.00 C ATOM 664 CD LYS A 44 4.092 -19.426 6.336 1.00 0.00 C ATOM 665 CE LYS A 44 3.896 -19.381 4.828 1.00 0.00 C ATOM 666 NZ LYS A 44 3.555 -20.720 4.273 1.00 0.00 N ATOM 0 H LYS A 44 0.627 -17.976 8.197 1.00 0.00 H new ATOM 0 HA LYS A 44 1.435 -20.648 7.893 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.819 -18.247 9.156 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.623 -19.752 8.755 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.118 -18.600 6.495 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.385 -17.548 7.095 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.090 -19.065 6.585 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.030 -20.458 6.682 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.102 -18.675 4.586 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.806 -19.012 4.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.429 -20.647 3.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.324 -21.388 4.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.673 -21.061 4.706 1.00 0.00 H new ATOM 680 N ARG A 45 0.935 -19.657 10.982 1.00 0.00 N ATOM 681 CA ARG A 45 0.803 -20.120 12.359 1.00 0.00 C ATOM 682 C ARG A 45 -0.641 -20.504 12.667 1.00 0.00 C ATOM 683 O ARG A 45 -1.075 -20.460 13.818 1.00 0.00 O ATOM 684 CB ARG A 45 1.273 -19.036 13.331 1.00 0.00 C ATOM 685 CG ARG A 45 2.784 -18.965 13.480 1.00 0.00 C ATOM 686 CD ARG A 45 3.441 -18.395 12.233 1.00 0.00 C ATOM 687 NE ARG A 45 4.227 -19.399 11.521 1.00 0.00 N ATOM 688 CZ ARG A 45 5.424 -19.814 11.920 1.00 0.00 C ATOM 689 NH1 ARG A 45 5.969 -19.315 13.021 1.00 0.00 N ATOM 690 NH2 ARG A 45 6.077 -20.732 11.219 1.00 0.00 N ATOM 0 H ARG A 45 0.649 -18.689 10.833 1.00 0.00 H new ATOM 0 HA ARG A 45 1.429 -21.004 12.481 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.904 -18.069 12.989 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.828 -19.219 14.309 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.037 -18.346 14.341 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.178 -19.962 13.677 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.674 -17.997 11.569 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.085 -17.561 12.512 1.00 0.00 H new ATOM 0 HE ARG A 45 3.835 -19.804 10.671 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.469 -18.611 13.564 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.888 -19.635 13.325 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.660 -21.120 10.373 1.00 0.00 H new ATOM 0 HH22 ARG A 45 6.996 -21.050 11.526 1.00 0.00 H new ATOM 704 N LYS A 46 -1.382 -20.880 11.630 1.00 0.00 N ATOM 705 CA LYS A 46 -2.777 -21.273 11.788 1.00 0.00 C ATOM 706 C LYS A 46 -3.559 -20.209 12.552 1.00 0.00 C ATOM 707 O LYS A 46 -4.448 -20.524 13.342 1.00 0.00 O ATOM 708 CB LYS A 46 -2.871 -22.613 12.521 1.00 0.00 C ATOM 709 CG LYS A 46 -2.209 -23.761 11.778 1.00 0.00 C ATOM 710 CD LYS A 46 -3.236 -24.650 11.098 1.00 0.00 C ATOM 711 CE LYS A 46 -2.801 -26.108 11.101 1.00 0.00 C ATOM 712 NZ LYS A 46 -3.904 -27.017 10.685 1.00 0.00 N ATOM 0 H LYS A 46 -1.039 -20.921 10.670 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.213 -21.377 10.795 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.410 -22.513 13.504 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.921 -22.855 12.685 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.520 -23.364 11.033 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.618 -24.354 12.475 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.195 -24.554 11.607 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.385 -24.316 10.071 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.953 -26.235 10.429 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.461 -26.383 12.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.567 -28.001 10.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.704 -26.915 11.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.212 -26.771 9.723 1.00 0.00 H new ATOM 726 N LYS A 47 -3.222 -18.946 12.309 1.00 0.00 N ATOM 727 CA LYS A 47 -3.894 -17.834 12.971 1.00 0.00 C ATOM 728 C LYS A 47 -4.875 -17.150 12.024 1.00 0.00 C ATOM 729 O LYS A 47 -5.129 -17.634 10.921 1.00 0.00 O ATOM 730 CB LYS A 47 -2.866 -16.820 13.478 1.00 0.00 C ATOM 731 CG LYS A 47 -2.932 -16.585 14.977 1.00 0.00 C ATOM 732 CD LYS A 47 -2.383 -15.219 15.352 1.00 0.00 C ATOM 733 CE LYS A 47 -0.863 -15.194 15.298 1.00 0.00 C ATOM 734 NZ LYS A 47 -0.257 -16.039 16.364 1.00 0.00 N ATOM 0 H LYS A 47 -2.487 -18.668 11.658 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.452 -18.231 13.819 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.866 -17.167 13.217 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.019 -15.872 12.963 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.965 -16.668 15.314 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.365 -17.360 15.493 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.784 -14.466 14.674 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.717 -14.955 16.355 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.528 -15.545 14.322 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.512 -14.167 15.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.739 -15.769 16.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.775 -15.899 17.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.310 -17.040 16.086 1.00 0.00 H new ATOM 748 N LYS A 48 -5.422 -16.021 12.461 1.00 0.00 N ATOM 749 CA LYS A 48 -6.373 -15.267 11.652 1.00 0.00 C ATOM 750 C LYS A 48 -6.059 -13.775 11.692 1.00 0.00 C ATOM 751 O LYS A 48 -5.546 -13.266 12.688 1.00 0.00 O ATOM 752 CB LYS A 48 -7.800 -15.513 12.146 1.00 0.00 C ATOM 753 CG LYS A 48 -8.129 -14.790 13.440 1.00 0.00 C ATOM 754 CD LYS A 48 -8.908 -15.679 14.394 1.00 0.00 C ATOM 755 CE LYS A 48 -8.013 -16.727 15.037 1.00 0.00 C ATOM 756 NZ LYS A 48 -8.677 -18.058 15.105 1.00 0.00 N ATOM 0 H LYS A 48 -5.223 -15.607 13.372 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.288 -15.610 10.621 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.502 -15.197 11.374 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.946 -16.583 12.291 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.206 -14.462 13.919 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.710 -13.894 13.220 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.368 -15.067 15.170 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.717 -16.172 13.855 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.087 -16.812 14.468 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.741 -16.405 16.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.034 -18.744 15.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.548 -17.983 15.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.913 -18.377 14.144 1.00 0.00 H new ATOM 770 N ALA A 49 -6.371 -13.080 10.603 1.00 0.00 N ATOM 771 CA ALA A 49 -6.126 -11.646 10.516 1.00 0.00 C ATOM 772 C ALA A 49 -7.162 -10.862 11.313 1.00 0.00 C ATOM 773 O ALA A 49 -8.357 -10.920 11.023 1.00 0.00 O ATOM 774 CB ALA A 49 -6.127 -11.198 9.061 1.00 0.00 C ATOM 0 H ALA A 49 -6.794 -13.487 9.769 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.146 -11.443 10.947 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.943 -10.125 9.011 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.344 -11.726 8.517 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.095 -11.422 8.612 1.00 0.00 H new ATOM 780 N TYR A 50 -6.697 -10.130 12.319 1.00 0.00 N ATOM 781 CA TYR A 50 -7.585 -9.337 13.161 1.00 0.00 C ATOM 782 C TYR A 50 -7.189 -7.863 13.133 1.00 0.00 C ATOM 783 O TYR A 50 -6.037 -7.522 12.865 1.00 0.00 O ATOM 784 CB TYR A 50 -7.557 -9.856 14.600 1.00 0.00 C ATOM 785 CG TYR A 50 -6.163 -10.132 15.117 1.00 0.00 C ATOM 786 CD1 TYR A 50 -5.394 -9.117 15.673 1.00 0.00 C ATOM 787 CD2 TYR A 50 -5.616 -11.407 15.051 1.00 0.00 C ATOM 788 CE1 TYR A 50 -4.120 -9.365 16.146 1.00 0.00 C ATOM 789 CE2 TYR A 50 -4.344 -11.664 15.523 1.00 0.00 C ATOM 790 CZ TYR A 50 -3.599 -10.640 16.069 1.00 0.00 C ATOM 791 OH TYR A 50 -2.331 -10.890 16.541 1.00 0.00 O ATOM 0 H TYR A 50 -5.711 -10.069 12.571 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.597 -9.431 12.767 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -8.039 -9.126 15.250 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.145 -10.772 14.659 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.799 -8.118 15.736 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.196 -12.211 14.623 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.535 -8.565 16.574 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.935 -12.662 15.465 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.115 -11.837 16.413 1.00 0.00 H new ATOM 801 N CYS A 51 -8.154 -6.993 13.413 1.00 0.00 N ATOM 802 CA CYS A 51 -7.910 -5.556 13.420 1.00 0.00 C ATOM 803 C CYS A 51 -6.698 -5.215 14.282 1.00 0.00 C ATOM 804 O CYS A 51 -6.761 -5.211 15.512 1.00 0.00 O ATOM 805 CB CYS A 51 -9.142 -4.811 13.936 1.00 0.00 C ATOM 806 SG CYS A 51 -10.134 -4.020 12.628 1.00 0.00 S ATOM 0 H CYS A 51 -9.113 -7.259 13.638 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.706 -5.242 12.396 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -9.774 -5.511 14.483 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -8.822 -4.048 14.646 1.00 0.00 H new ATOM 811 N PRO A 52 -5.567 -4.921 13.623 1.00 0.00 N ATOM 812 CA PRO A 52 -4.319 -4.573 14.309 1.00 0.00 C ATOM 813 C PRO A 52 -4.392 -3.210 14.989 1.00 0.00 C ATOM 814 O PRO A 52 -3.557 -2.881 15.830 1.00 0.00 O ATOM 815 CB PRO A 52 -3.287 -4.551 13.178 1.00 0.00 C ATOM 816 CG PRO A 52 -4.078 -4.261 11.949 1.00 0.00 C ATOM 817 CD PRO A 52 -5.420 -4.907 12.158 1.00 0.00 C ATOM 0 HA PRO A 52 -4.083 -5.277 15.107 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.528 -3.788 13.350 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -2.767 -5.506 13.098 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.182 -3.187 11.796 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.585 -4.663 11.064 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.218 -4.339 11.679 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.451 -5.914 11.741 1.00 0.00 H new ATOM 825 N GLN A 53 -5.397 -2.422 14.618 1.00 0.00 N ATOM 826 CA GLN A 53 -5.578 -1.094 15.193 1.00 0.00 C ATOM 827 C GLN A 53 -5.878 -1.184 16.686 1.00 0.00 C ATOM 828 O GLN A 53 -6.992 -1.524 17.085 1.00 0.00 O ATOM 829 CB GLN A 53 -6.710 -0.355 14.477 1.00 0.00 C ATOM 830 CG GLN A 53 -6.441 1.128 14.283 1.00 0.00 C ATOM 831 CD GLN A 53 -5.289 1.393 13.334 1.00 0.00 C ATOM 832 OE1 GLN A 53 -5.355 1.061 12.150 1.00 0.00 O ATOM 833 NE2 GLN A 53 -4.224 1.996 13.850 1.00 0.00 N ATOM 0 H GLN A 53 -6.097 -2.680 13.923 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.650 -0.538 15.060 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.875 -0.816 13.503 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.631 -0.477 15.048 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.341 1.609 13.900 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.223 1.583 15.249 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.212 2.254 14.837 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.418 2.201 13.259 1.00 0.00 H new ATOM 842 N ILE A 54 -4.877 -0.876 17.504 1.00 0.00 N ATOM 843 CA ILE A 54 -5.035 -0.922 18.953 1.00 0.00 C ATOM 844 C ILE A 54 -6.260 -0.129 19.398 1.00 0.00 C ATOM 845 O ILE A 54 -6.239 1.100 19.430 1.00 0.00 O ATOM 846 CB ILE A 54 -3.791 -0.368 19.672 1.00 0.00 C ATOM 847 CG1 ILE A 54 -2.546 -1.161 19.268 1.00 0.00 C ATOM 848 CG2 ILE A 54 -3.987 -0.413 21.180 1.00 0.00 C ATOM 849 CD1 ILE A 54 -1.261 -0.599 19.835 1.00 0.00 C ATOM 0 H ILE A 54 -3.949 -0.592 17.189 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.165 -1.970 19.223 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.650 0.671 19.374 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.659 -2.193 19.600 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.475 -1.182 18.180 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.099 -0.018 21.674 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.853 0.191 21.453 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.150 -1.444 21.495 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.421 -1.211 19.508 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.124 0.423 19.483 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.311 -0.604 20.924 1.00 0.00 H new ATOM 861 N GLY A 55 -7.327 -0.844 19.742 1.00 0.00 N ATOM 862 CA GLY A 55 -8.546 -0.191 20.182 1.00 0.00 C ATOM 863 C GLY A 55 -9.789 -0.823 19.587 1.00 0.00 C ATOM 864 O GLY A 55 -10.890 -0.664 20.117 1.00 0.00 O ATOM 0 H GLY A 55 -7.369 -1.863 19.724 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.605 -0.234 21.270 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.510 0.863 19.906 1.00 0.00 H new ATOM 868 N CYS A 56 -9.616 -1.540 18.483 1.00 0.00 N ATOM 869 CA CYS A 56 -10.732 -2.197 17.813 1.00 0.00 C ATOM 870 C CYS A 56 -11.008 -3.565 18.430 1.00 0.00 C ATOM 871 O CYS A 56 -10.099 -4.225 18.932 1.00 0.00 O ATOM 872 CB CYS A 56 -10.440 -2.348 16.319 1.00 0.00 C ATOM 873 SG CYS A 56 -11.915 -2.218 15.256 1.00 0.00 S ATOM 0 H CYS A 56 -8.712 -1.681 18.032 1.00 0.00 H new ATOM 0 HA CYS A 56 -11.618 -1.575 17.942 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -9.722 -1.584 16.021 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -9.966 -3.315 16.148 1.00 0.00 H new ATOM 878 N SER A 57 -12.269 -3.983 18.388 1.00 0.00 N ATOM 879 CA SER A 57 -12.666 -5.271 18.945 1.00 0.00 C ATOM 880 C SER A 57 -12.762 -6.330 17.852 1.00 0.00 C ATOM 881 O SER A 57 -12.627 -7.526 18.115 1.00 0.00 O ATOM 882 CB SER A 57 -14.009 -5.145 19.668 1.00 0.00 C ATOM 883 OG SER A 57 -14.039 -5.955 20.831 1.00 0.00 O ATOM 0 H SER A 57 -13.033 -3.449 17.974 1.00 0.00 H new ATOM 0 HA SER A 57 -11.903 -5.580 19.660 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.183 -4.104 19.941 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.816 -5.437 18.996 1.00 0.00 H new ATOM 0 HG SER A 57 -14.906 -5.856 21.276 1.00 0.00 H new ATOM 889 N HIS A 58 -12.995 -5.883 16.622 1.00 0.00 N ATOM 890 CA HIS A 58 -13.109 -6.791 15.486 1.00 0.00 C ATOM 891 C HIS A 58 -11.907 -7.728 15.418 1.00 0.00 C ATOM 892 O HIS A 58 -10.826 -7.407 15.914 1.00 0.00 O ATOM 893 CB HIS A 58 -13.228 -6.001 14.183 1.00 0.00 C ATOM 894 CG HIS A 58 -13.810 -6.793 13.053 1.00 0.00 C ATOM 895 ND1 HIS A 58 -15.064 -7.365 13.103 1.00 0.00 N ATOM 896 CD2 HIS A 58 -13.303 -7.105 11.838 1.00 0.00 C ATOM 897 CE1 HIS A 58 -15.302 -7.996 11.967 1.00 0.00 C ATOM 898 NE2 HIS A 58 -14.250 -7.853 11.182 1.00 0.00 N ATOM 0 H HIS A 58 -13.109 -4.897 16.386 1.00 0.00 H new ATOM 0 HA HIS A 58 -14.009 -7.391 15.621 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -13.848 -5.121 14.356 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -12.240 -5.643 13.894 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -15.707 -7.310 13.893 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -12.334 -6.819 11.455 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -16.204 -8.537 11.722 1.00 0.00 H new ATOM 906 N THR A 59 -12.102 -8.890 14.801 1.00 0.00 N ATOM 907 CA THR A 59 -11.035 -9.874 14.669 1.00 0.00 C ATOM 908 C THR A 59 -11.260 -10.770 13.456 1.00 0.00 C ATOM 909 O THR A 59 -10.937 -11.958 13.482 1.00 0.00 O ATOM 910 CB THR A 59 -10.924 -10.753 15.929 1.00 0.00 C ATOM 911 OG1 THR A 59 -12.228 -11.156 16.362 1.00 0.00 O ATOM 912 CG2 THR A 59 -10.220 -10.005 17.051 1.00 0.00 C ATOM 0 H THR A 59 -12.990 -9.172 14.385 1.00 0.00 H new ATOM 0 HA THR A 59 -10.106 -9.318 14.539 1.00 0.00 H new ATOM 0 HB THR A 59 -10.336 -11.636 15.678 1.00 0.00 H new ATOM 0 HG1 THR A 59 -12.148 -11.716 17.162 1.00 0.00 H new ATOM 0 HG21 THR A 59 -10.154 -10.646 17.930 1.00 0.00 H new ATOM 0 HG22 THR A 59 -9.217 -9.726 16.729 1.00 0.00 H new ATOM 0 HG23 THR A 59 -10.784 -9.106 17.299 1.00 0.00 H new ATOM 920 N ASP A 60 -11.813 -10.193 12.395 1.00 0.00 N ATOM 921 CA ASP A 60 -12.079 -10.939 11.171 1.00 0.00 C ATOM 922 C ASP A 60 -11.720 -10.112 9.941 1.00 0.00 C ATOM 923 O ASP A 60 -12.489 -9.250 9.514 1.00 0.00 O ATOM 924 CB ASP A 60 -13.551 -11.353 11.111 1.00 0.00 C ATOM 925 CG ASP A 60 -13.787 -12.736 11.683 1.00 0.00 C ATOM 926 OD1 ASP A 60 -12.861 -13.281 12.319 1.00 0.00 O ATOM 927 OD2 ASP A 60 -14.898 -13.275 11.494 1.00 0.00 O ATOM 0 H ASP A 60 -12.086 -9.211 12.358 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.457 -11.834 11.178 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -14.152 -10.628 11.661 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.890 -11.329 10.075 1.00 0.00 H new ATOM 932 N ILE A 61 -10.546 -10.378 9.378 1.00 0.00 N ATOM 933 CA ILE A 61 -10.085 -9.658 8.197 1.00 0.00 C ATOM 934 C ILE A 61 -9.696 -10.623 7.082 1.00 0.00 C ATOM 935 O ILE A 61 -8.947 -11.574 7.304 1.00 0.00 O ATOM 936 CB ILE A 61 -8.880 -8.756 8.523 1.00 0.00 C ATOM 937 CG1 ILE A 61 -9.242 -7.766 9.632 1.00 0.00 C ATOM 938 CG2 ILE A 61 -8.419 -8.017 7.276 1.00 0.00 C ATOM 939 CD1 ILE A 61 -8.067 -6.946 10.118 1.00 0.00 C ATOM 0 H ILE A 61 -9.897 -11.086 9.720 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.915 -9.036 7.863 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.060 -9.383 8.874 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -10.018 -7.093 9.268 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -9.665 -8.315 10.474 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.567 -7.384 7.523 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.126 -8.738 6.513 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -9.233 -7.399 6.898 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.398 -6.266 10.903 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.298 -7.610 10.513 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.657 -6.370 9.288 1.00 0.00 H new ATOM 951 N ARG A 62 -10.210 -10.370 5.883 1.00 0.00 N ATOM 952 CA ARG A 62 -9.916 -11.216 4.732 1.00 0.00 C ATOM 953 C ARG A 62 -9.328 -10.393 3.589 1.00 0.00 C ATOM 954 O ARG A 62 -9.742 -9.259 3.348 1.00 0.00 O ATOM 955 CB ARG A 62 -11.183 -11.930 4.261 1.00 0.00 C ATOM 956 CG ARG A 62 -11.190 -13.420 4.561 1.00 0.00 C ATOM 957 CD ARG A 62 -11.611 -14.232 3.346 1.00 0.00 C ATOM 958 NE ARG A 62 -13.045 -14.512 3.345 1.00 0.00 N ATOM 959 CZ ARG A 62 -13.613 -15.443 4.104 1.00 0.00 C ATOM 960 NH1 ARG A 62 -12.872 -16.179 4.920 1.00 0.00 N ATOM 961 NH2 ARG A 62 -14.924 -15.638 4.047 1.00 0.00 N ATOM 0 H ARG A 62 -10.832 -9.587 5.683 1.00 0.00 H new ATOM 0 HA ARG A 62 -9.180 -11.960 5.037 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -12.048 -11.468 4.737 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -11.294 -11.784 3.187 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -10.196 -13.732 4.882 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -11.870 -13.622 5.388 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -11.347 -13.690 2.438 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -11.058 -15.171 3.328 1.00 0.00 H new ATOM 0 HE ARG A 62 -13.643 -13.963 2.728 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -11.864 -16.031 4.966 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -13.310 -16.893 5.502 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -15.497 -15.073 3.420 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -15.359 -16.353 4.630 1.00 0.00 H new ATOM 975 N LYS A 63 -8.359 -10.972 2.888 1.00 0.00 N ATOM 976 CA LYS A 63 -7.713 -10.295 1.770 1.00 0.00 C ATOM 977 C LYS A 63 -8.742 -9.854 0.734 1.00 0.00 C ATOM 978 O LYS A 63 -8.518 -8.898 -0.009 1.00 0.00 O ATOM 979 CB LYS A 63 -6.679 -11.215 1.118 1.00 0.00 C ATOM 980 CG LYS A 63 -5.533 -10.470 0.456 1.00 0.00 C ATOM 981 CD LYS A 63 -4.677 -11.399 -0.388 1.00 0.00 C ATOM 982 CE LYS A 63 -3.880 -12.363 0.478 1.00 0.00 C ATOM 983 NZ LYS A 63 -3.587 -13.637 -0.236 1.00 0.00 N ATOM 0 H LYS A 63 -8.004 -11.910 3.075 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.209 -9.409 2.156 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.275 -11.887 1.875 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.176 -11.836 0.373 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.931 -9.671 -0.170 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.915 -9.998 1.220 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.314 -11.962 -1.070 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.995 -10.810 -1.001 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.944 -11.892 0.779 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.437 -12.578 1.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.043 -14.267 0.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.480 -14.099 -0.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.034 -13.435 -1.093 1.00 0.00 H new ATOM 997 N SER A 64 -9.870 -10.556 0.690 1.00 0.00 N ATOM 998 CA SER A 64 -10.932 -10.237 -0.257 1.00 0.00 C ATOM 999 C SER A 64 -11.636 -8.941 0.132 1.00 0.00 C ATOM 1000 O SER A 64 -12.206 -8.253 -0.715 1.00 0.00 O ATOM 1001 CB SER A 64 -11.946 -11.381 -0.322 1.00 0.00 C ATOM 1002 OG SER A 64 -12.918 -11.145 -1.326 1.00 0.00 O ATOM 0 H SER A 64 -10.072 -11.349 1.299 1.00 0.00 H new ATOM 0 HA SER A 64 -10.480 -10.104 -1.240 1.00 0.00 H new ATOM 0 HB2 SER A 64 -11.429 -12.319 -0.526 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.437 -11.491 0.645 1.00 0.00 H new ATOM 0 HG SER A 64 -13.553 -11.891 -1.348 1.00 0.00 H new ATOM 1008 N ASP A 65 -11.592 -8.614 1.419 1.00 0.00 N ATOM 1009 CA ASP A 65 -12.224 -7.399 1.921 1.00 0.00 C ATOM 1010 C ASP A 65 -11.214 -6.260 2.015 1.00 0.00 C ATOM 1011 O ASP A 65 -11.380 -5.332 2.808 1.00 0.00 O ATOM 1012 CB ASP A 65 -12.851 -7.655 3.293 1.00 0.00 C ATOM 1013 CG ASP A 65 -14.260 -8.204 3.192 1.00 0.00 C ATOM 1014 OD1 ASP A 65 -15.031 -7.706 2.344 1.00 0.00 O ATOM 1015 OD2 ASP A 65 -14.594 -9.130 3.960 1.00 0.00 O ATOM 0 H ASP A 65 -11.126 -9.173 2.133 1.00 0.00 H new ATOM 0 HA ASP A 65 -13.007 -7.110 1.220 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.229 -8.358 3.848 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -12.866 -6.725 3.861 1.00 0.00 H new ATOM 1020 N LEU A 66 -10.167 -6.336 1.201 1.00 0.00 N ATOM 1021 CA LEU A 66 -9.128 -5.312 1.192 1.00 0.00 C ATOM 1022 C LEU A 66 -9.167 -4.509 -0.104 1.00 0.00 C ATOM 1023 O LEU A 66 -9.118 -5.074 -1.197 1.00 0.00 O ATOM 1024 CB LEU A 66 -7.751 -5.952 1.368 1.00 0.00 C ATOM 1025 CG LEU A 66 -7.461 -6.555 2.743 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -6.070 -7.169 2.774 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -7.605 -5.499 3.829 1.00 0.00 C ATOM 0 H LEU A 66 -10.015 -7.096 0.538 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.314 -4.633 2.024 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.639 -6.736 0.619 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -6.993 -5.198 1.157 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.188 -7.345 2.933 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.881 -7.593 3.760 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.002 -7.955 2.022 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.328 -6.399 2.562 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.395 -5.946 4.801 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.901 -4.687 3.643 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.622 -5.106 3.822 1.00 0.00 H new ATOM 1039 N ILE A 67 -9.253 -3.189 0.025 1.00 0.00 N ATOM 1040 CA ILE A 67 -9.294 -2.309 -1.136 1.00 0.00 C ATOM 1041 C ILE A 67 -8.293 -1.167 -0.996 1.00 0.00 C ATOM 1042 O ILE A 67 -7.868 -0.834 0.110 1.00 0.00 O ATOM 1043 CB ILE A 67 -10.702 -1.720 -1.346 1.00 0.00 C ATOM 1044 CG1 ILE A 67 -11.237 -1.142 -0.035 1.00 0.00 C ATOM 1045 CG2 ILE A 67 -11.645 -2.784 -1.887 1.00 0.00 C ATOM 1046 CD1 ILE A 67 -12.541 -0.391 -0.193 1.00 0.00 C ATOM 0 H ILE A 67 -9.296 -2.706 0.922 1.00 0.00 H new ATOM 0 HA ILE A 67 -9.030 -2.916 -2.002 1.00 0.00 H new ATOM 0 HB ILE A 67 -10.638 -0.914 -2.077 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.379 -1.953 0.679 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -10.490 -0.471 0.389 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -12.636 -2.353 -2.030 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -11.268 -3.153 -2.841 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -11.707 -3.609 -1.178 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -12.861 -0.009 0.777 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -12.400 0.441 -0.882 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -13.303 -1.064 -0.587 1.00 0.00 H new ATOM 1058 N GLN A 68 -7.924 -0.569 -2.124 1.00 0.00 N ATOM 1059 CA GLN A 68 -6.974 0.537 -2.127 1.00 0.00 C ATOM 1060 C GLN A 68 -7.697 1.876 -2.026 1.00 0.00 C ATOM 1061 O GLN A 68 -8.406 2.280 -2.948 1.00 0.00 O ATOM 1062 CB GLN A 68 -6.119 0.499 -3.394 1.00 0.00 C ATOM 1063 CG GLN A 68 -5.424 -0.834 -3.621 1.00 0.00 C ATOM 1064 CD GLN A 68 -4.868 -0.971 -5.024 1.00 0.00 C ATOM 1065 OE1 GLN A 68 -5.516 -0.594 -6.001 1.00 0.00 O ATOM 1066 NE2 GLN A 68 -3.661 -1.513 -5.132 1.00 0.00 N ATOM 0 H GLN A 68 -8.268 -0.832 -3.047 1.00 0.00 H new ATOM 0 HA GLN A 68 -6.326 0.429 -1.257 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -6.750 0.721 -4.255 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -5.367 1.286 -3.338 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -4.613 -0.944 -2.901 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.129 -1.644 -3.433 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -3.159 -1.812 -4.296 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -3.235 -1.631 -6.051 1.00 0.00 H new ATOM 1075 N ASP A 69 -7.513 2.559 -0.902 1.00 0.00 N ATOM 1076 CA ASP A 69 -8.147 3.853 -0.681 1.00 0.00 C ATOM 1077 C ASP A 69 -7.447 4.946 -1.484 1.00 0.00 C ATOM 1078 O ASP A 69 -6.242 5.155 -1.344 1.00 0.00 O ATOM 1079 CB ASP A 69 -8.130 4.206 0.807 1.00 0.00 C ATOM 1080 CG ASP A 69 -9.029 5.383 1.133 1.00 0.00 C ATOM 1081 OD1 ASP A 69 -9.228 6.240 0.248 1.00 0.00 O ATOM 1082 OD2 ASP A 69 -9.534 5.446 2.274 1.00 0.00 O ATOM 0 H ASP A 69 -6.930 2.238 -0.129 1.00 0.00 H new ATOM 0 HA ASP A 69 -9.181 3.785 -1.018 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.447 3.339 1.387 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.109 4.437 1.111 1.00 0.00 H new ATOM 1087 N GLU A 70 -8.210 5.637 -2.324 1.00 0.00 N ATOM 1088 CA GLU A 70 -7.661 6.706 -3.150 1.00 0.00 C ATOM 1089 C GLU A 70 -7.577 8.012 -2.365 1.00 0.00 C ATOM 1090 O GLU A 70 -6.553 8.694 -2.383 1.00 0.00 O ATOM 1091 CB GLU A 70 -8.519 6.906 -4.401 1.00 0.00 C ATOM 1092 CG GLU A 70 -7.736 6.799 -5.699 1.00 0.00 C ATOM 1093 CD GLU A 70 -8.635 6.715 -6.917 1.00 0.00 C ATOM 1094 OE1 GLU A 70 -9.411 7.665 -7.150 1.00 0.00 O ATOM 1095 OE2 GLU A 70 -8.562 5.698 -7.639 1.00 0.00 O ATOM 0 H GLU A 70 -9.209 5.476 -2.451 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.654 6.417 -3.450 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.318 6.164 -4.406 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.994 7.886 -4.353 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.080 7.664 -5.795 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.097 5.917 -5.662 1.00 0.00 H new ATOM 1102 N ALA A 71 -8.661 8.353 -1.676 1.00 0.00 N ATOM 1103 CA ALA A 71 -8.710 9.574 -0.883 1.00 0.00 C ATOM 1104 C ALA A 71 -7.519 9.662 0.064 1.00 0.00 C ATOM 1105 O ALA A 71 -7.012 10.750 0.343 1.00 0.00 O ATOM 1106 CB ALA A 71 -10.014 9.645 -0.102 1.00 0.00 C ATOM 0 H ALA A 71 -9.518 7.800 -1.651 1.00 0.00 H new ATOM 0 HA ALA A 71 -8.662 10.422 -1.565 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -10.037 10.563 0.486 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -10.855 9.638 -0.796 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -10.086 8.785 0.564 1.00 0.00 H new ATOM 1112 N LEU A 72 -7.075 8.511 0.558 1.00 0.00 N ATOM 1113 CA LEU A 72 -5.942 8.458 1.475 1.00 0.00 C ATOM 1114 C LEU A 72 -4.624 8.403 0.710 1.00 0.00 C ATOM 1115 O LEU A 72 -3.596 8.882 1.190 1.00 0.00 O ATOM 1116 CB LEU A 72 -6.062 7.241 2.395 1.00 0.00 C ATOM 1117 CG LEU A 72 -5.403 7.371 3.768 1.00 0.00 C ATOM 1118 CD1 LEU A 72 -6.028 8.512 4.555 1.00 0.00 C ATOM 1119 CD2 LEU A 72 -5.517 6.064 4.540 1.00 0.00 C ATOM 0 H LEU A 72 -7.483 7.602 0.339 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.952 9.365 2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.120 7.024 2.541 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.627 6.381 1.885 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.346 7.594 3.622 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.546 8.589 5.530 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.895 9.446 4.009 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.092 8.320 4.691 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.043 6.175 5.515 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.569 5.812 4.675 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.021 5.268 3.984 1.00 0.00 H new ATOM 1131 N ARG A 73 -4.662 7.818 -0.483 1.00 0.00 N ATOM 1132 CA ARG A 73 -3.470 7.702 -1.315 1.00 0.00 C ATOM 1133 C ARG A 73 -2.965 9.079 -1.736 1.00 0.00 C ATOM 1134 O ARG A 73 -1.827 9.448 -1.446 1.00 0.00 O ATOM 1135 CB ARG A 73 -3.768 6.855 -2.553 1.00 0.00 C ATOM 1136 CG ARG A 73 -3.413 5.387 -2.387 1.00 0.00 C ATOM 1137 CD ARG A 73 -2.308 4.968 -3.344 1.00 0.00 C ATOM 1138 NE ARG A 73 -2.384 3.549 -3.681 1.00 0.00 N ATOM 1139 CZ ARG A 73 -3.304 3.034 -4.489 1.00 0.00 C ATOM 1140 NH1 ARG A 73 -4.221 3.817 -5.039 1.00 0.00 N ATOM 1141 NH2 ARG A 73 -3.307 1.733 -4.747 1.00 0.00 N ATOM 0 H ARG A 73 -5.505 7.417 -0.895 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.693 7.214 -0.728 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.828 6.939 -2.793 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.216 7.260 -3.401 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.096 5.202 -1.361 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.298 4.776 -2.562 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.374 5.561 -4.256 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.339 5.182 -2.894 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.693 2.919 -3.274 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.221 4.818 -4.842 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.926 3.419 -5.659 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.603 1.128 -4.325 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.014 1.338 -5.367 1.00 0.00 H new ATOM 1155 N ARG A 74 -3.818 9.833 -2.421 1.00 0.00 N ATOM 1156 CA ARG A 74 -3.458 11.167 -2.883 1.00 0.00 C ATOM 1157 C ARG A 74 -3.091 12.069 -1.708 1.00 0.00 C ATOM 1158 O ARG A 74 -2.298 12.999 -1.851 1.00 0.00 O ATOM 1159 CB ARG A 74 -4.613 11.786 -3.673 1.00 0.00 C ATOM 1160 CG ARG A 74 -4.862 11.114 -5.013 1.00 0.00 C ATOM 1161 CD ARG A 74 -6.284 11.351 -5.499 1.00 0.00 C ATOM 1162 NE ARG A 74 -6.393 11.234 -6.951 1.00 0.00 N ATOM 1163 CZ ARG A 74 -7.546 11.079 -7.591 1.00 0.00 C ATOM 1164 NH1 ARG A 74 -8.683 11.023 -6.911 1.00 0.00 N ATOM 1165 NH2 ARG A 74 -7.564 10.980 -8.914 1.00 0.00 N ATOM 0 H ARG A 74 -4.764 9.542 -2.668 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.589 11.076 -3.534 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.522 11.732 -3.074 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.403 12.843 -3.839 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.156 11.497 -5.750 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.681 10.043 -4.924 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.953 10.632 -5.026 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.612 12.343 -5.190 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.536 11.274 -7.503 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.673 11.099 -5.894 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.567 10.904 -7.405 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.691 11.023 -9.441 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -8.450 10.861 -9.404 1.00 0.00 H new ATOM 1179 N ALA A 75 -3.674 11.787 -0.548 1.00 0.00 N ATOM 1180 CA ALA A 75 -3.407 12.571 0.652 1.00 0.00 C ATOM 1181 C ALA A 75 -1.931 12.513 1.028 1.00 0.00 C ATOM 1182 O ALA A 75 -1.259 13.543 1.102 1.00 0.00 O ATOM 1183 CB ALA A 75 -4.268 12.079 1.806 1.00 0.00 C ATOM 0 H ALA A 75 -4.334 11.021 -0.413 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.660 13.610 0.442 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.058 12.673 2.695 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.321 12.179 1.543 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.042 11.032 2.008 1.00 0.00 H new ATOM 1189 N ILE A 76 -1.432 11.305 1.266 1.00 0.00 N ATOM 1190 CA ILE A 76 -0.035 11.114 1.634 1.00 0.00 C ATOM 1191 C ILE A 76 0.895 11.776 0.623 1.00 0.00 C ATOM 1192 O ILE A 76 1.953 12.292 0.984 1.00 0.00 O ATOM 1193 CB ILE A 76 0.320 9.619 1.741 1.00 0.00 C ATOM 1194 CG1 ILE A 76 -0.575 8.932 2.774 1.00 0.00 C ATOM 1195 CG2 ILE A 76 1.787 9.448 2.106 1.00 0.00 C ATOM 1196 CD1 ILE A 76 -0.585 7.424 2.657 1.00 0.00 C ATOM 0 H ILE A 76 -1.975 10.443 1.210 1.00 0.00 H new ATOM 0 HA ILE A 76 0.101 11.581 2.609 1.00 0.00 H new ATOM 0 HB ILE A 76 0.150 9.150 0.772 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.240 9.209 3.774 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.594 9.304 2.665 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.023 8.386 2.178 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.409 9.906 1.337 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.982 9.929 3.065 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.240 7.004 3.420 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.948 7.138 1.670 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.426 7.042 2.796 1.00 0.00 H new ATOM 1208 N GLU A 77 0.493 11.757 -0.644 1.00 0.00 N ATOM 1209 CA GLU A 77 1.291 12.356 -1.707 1.00 0.00 C ATOM 1210 C GLU A 77 1.267 13.879 -1.613 1.00 0.00 C ATOM 1211 O GLU A 77 2.292 14.538 -1.780 1.00 0.00 O ATOM 1212 CB GLU A 77 0.774 11.911 -3.076 1.00 0.00 C ATOM 1213 CG GLU A 77 1.339 10.578 -3.537 1.00 0.00 C ATOM 1214 CD GLU A 77 1.440 10.477 -5.046 1.00 0.00 C ATOM 1215 OE1 GLU A 77 0.931 11.385 -5.736 1.00 0.00 O ATOM 1216 OE2 GLU A 77 2.027 9.490 -5.538 1.00 0.00 O ATOM 0 H GLU A 77 -0.380 11.334 -0.959 1.00 0.00 H new ATOM 0 HA GLU A 77 2.320 12.018 -1.588 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.313 11.842 -3.039 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.020 12.675 -3.814 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.328 10.436 -3.100 1.00 0.00 H new ATOM 0 HG3 GLU A 77 0.707 9.772 -3.164 1.00 0.00 H new ATOM 1223 N ASN A 78 0.088 14.431 -1.344 1.00 0.00 N ATOM 1224 CA ASN A 78 -0.071 15.876 -1.228 1.00 0.00 C ATOM 1225 C ASN A 78 0.826 16.436 -0.128 1.00 0.00 C ATOM 1226 O ASN A 78 1.217 17.603 -0.165 1.00 0.00 O ATOM 1227 CB ASN A 78 -1.531 16.228 -0.939 1.00 0.00 C ATOM 1228 CG ASN A 78 -1.990 17.459 -1.697 1.00 0.00 C ATOM 1229 OD1 ASN A 78 -1.557 17.706 -2.822 1.00 0.00 O ATOM 1230 ND2 ASN A 78 -2.872 18.238 -1.081 1.00 0.00 N ATOM 0 H ASN A 78 -0.771 13.899 -1.202 1.00 0.00 H new ATOM 0 HA ASN A 78 0.223 16.326 -2.176 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.165 15.383 -1.206 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.657 16.395 0.131 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -3.218 19.080 -1.541 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -3.204 17.994 -0.148 1.00 0.00 H new ATOM 1237 N HIS A 79 1.149 15.595 0.850 1.00 0.00 N ATOM 1238 CA HIS A 79 2.001 16.005 1.960 1.00 0.00 C ATOM 1239 C HIS A 79 3.469 15.730 1.649 1.00 0.00 C ATOM 1240 O HIS A 79 4.336 16.561 1.914 1.00 0.00 O ATOM 1241 CB HIS A 79 1.593 15.275 3.240 1.00 0.00 C ATOM 1242 CG HIS A 79 2.445 15.618 4.423 1.00 0.00 C ATOM 1243 ND1 HIS A 79 2.135 16.632 5.305 1.00 0.00 N ATOM 1244 CD2 HIS A 79 3.602 15.074 4.869 1.00 0.00 C ATOM 1245 CE1 HIS A 79 3.065 16.698 6.241 1.00 0.00 C ATOM 1246 NE2 HIS A 79 3.966 15.763 5.999 1.00 0.00 N ATOM 0 H HIS A 79 0.834 14.626 0.896 1.00 0.00 H new ATOM 0 HA HIS A 79 1.874 17.078 2.106 1.00 0.00 H new ATOM 0 HB2 HIS A 79 0.554 15.514 3.469 1.00 0.00 H new ATOM 0 HB3 HIS A 79 1.642 14.200 3.067 1.00 0.00 H new ATOM 0 HD2 HIS A 79 4.138 14.251 4.419 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.085 17.397 7.064 1.00 0.00 H new ATOM 0 HE2 HIS A 79 4.798 15.582 6.561 1.00 0.00 H new ATOM 1254 N ASN A 80 3.740 14.556 1.086 1.00 0.00 N ATOM 1255 CA ASN A 80 5.103 14.171 0.741 1.00 0.00 C ATOM 1256 C ASN A 80 5.693 15.127 -0.291 1.00 0.00 C ATOM 1257 O ASN A 80 6.904 15.351 -0.326 1.00 0.00 O ATOM 1258 CB ASN A 80 5.129 12.740 0.200 1.00 0.00 C ATOM 1259 CG ASN A 80 6.350 11.969 0.664 1.00 0.00 C ATOM 1260 OD1 ASN A 80 7.441 12.527 0.787 1.00 0.00 O ATOM 1261 ND2 ASN A 80 6.172 10.679 0.923 1.00 0.00 N ATOM 0 H ASN A 80 3.034 13.856 0.859 1.00 0.00 H new ATOM 0 HA ASN A 80 5.709 14.222 1.646 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.228 12.217 0.521 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.111 12.766 -0.890 1.00 0.00 H new ATOM 0 HD21 ASN A 80 6.957 10.109 1.238 1.00 0.00 H new ATOM 0 HD22 ASN A 80 5.250 10.258 0.807 1.00 0.00 H new ATOM 1268 N LYS A 81 4.830 15.689 -1.131 1.00 0.00 N ATOM 1269 CA LYS A 81 5.264 16.623 -2.163 1.00 0.00 C ATOM 1270 C LYS A 81 5.989 17.816 -1.548 1.00 0.00 C ATOM 1271 O LYS A 81 6.824 18.449 -2.195 1.00 0.00 O ATOM 1272 CB LYS A 81 4.063 17.107 -2.979 1.00 0.00 C ATOM 1273 CG LYS A 81 3.187 18.103 -2.238 1.00 0.00 C ATOM 1274 CD LYS A 81 3.601 19.535 -2.530 1.00 0.00 C ATOM 1275 CE LYS A 81 3.490 20.411 -1.292 1.00 0.00 C ATOM 1276 NZ LYS A 81 2.310 21.316 -1.356 1.00 0.00 N ATOM 0 H LYS A 81 3.825 15.514 -1.117 1.00 0.00 H new ATOM 0 HA LYS A 81 5.957 16.101 -2.823 1.00 0.00 H new ATOM 0 HB2 LYS A 81 4.421 17.566 -3.900 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.458 16.247 -3.266 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.146 17.958 -2.527 1.00 0.00 H new ATOM 0 HG3 LYS A 81 3.249 17.917 -1.166 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.627 19.550 -2.897 1.00 0.00 H new ATOM 0 HD3 LYS A 81 2.973 19.942 -3.322 1.00 0.00 H new ATOM 0 HE2 LYS A 81 3.416 19.780 -0.406 1.00 0.00 H new ATOM 0 HE3 LYS A 81 4.398 21.005 -1.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.270 21.896 -0.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 2.393 21.936 -2.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 1.441 20.749 -1.432 1.00 0.00 H new ATOM 1290 N LYS A 82 5.666 18.117 -0.295 1.00 0.00 N ATOM 1291 CA LYS A 82 6.287 19.232 0.409 1.00 0.00 C ATOM 1292 C LYS A 82 7.786 19.000 0.579 1.00 0.00 C ATOM 1293 O LYS A 82 8.576 19.944 0.550 1.00 0.00 O ATOM 1294 CB LYS A 82 5.632 19.426 1.778 1.00 0.00 C ATOM 1295 CG LYS A 82 6.249 20.549 2.594 1.00 0.00 C ATOM 1296 CD LYS A 82 6.891 20.024 3.868 1.00 0.00 C ATOM 1297 CE LYS A 82 5.846 19.677 4.917 1.00 0.00 C ATOM 1298 NZ LYS A 82 5.765 20.713 5.983 1.00 0.00 N ATOM 0 H LYS A 82 4.977 17.603 0.254 1.00 0.00 H new ATOM 0 HA LYS A 82 6.141 20.133 -0.187 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.571 19.631 1.638 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.705 18.496 2.342 1.00 0.00 H new ATOM 0 HG2 LYS A 82 6.998 21.067 1.995 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.482 21.281 2.847 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.486 19.140 3.639 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.574 20.773 4.268 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.872 19.571 4.439 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.087 18.713 5.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 5.042 20.440 6.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.687 20.796 6.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 5.510 21.628 5.559 1.00 0.00 H new ATOM 1312 N ARG A 83 8.169 17.740 0.754 1.00 0.00 N ATOM 1313 CA ARG A 83 9.573 17.386 0.928 1.00 0.00 C ATOM 1314 C ARG A 83 10.196 16.966 -0.400 1.00 0.00 C ATOM 1315 O ARG A 83 11.342 17.308 -0.695 1.00 0.00 O ATOM 1316 CB ARG A 83 9.712 16.255 1.949 1.00 0.00 C ATOM 1317 CG ARG A 83 10.853 16.461 2.933 1.00 0.00 C ATOM 1318 CD ARG A 83 11.673 15.192 3.108 1.00 0.00 C ATOM 1319 NE ARG A 83 12.358 14.809 1.876 1.00 0.00 N ATOM 1320 CZ ARG A 83 13.172 13.764 1.782 1.00 0.00 C ATOM 1321 NH1 ARG A 83 13.401 13.001 2.842 1.00 0.00 N ATOM 1322 NH2 ARG A 83 13.758 13.479 0.626 1.00 0.00 N ATOM 0 H ARG A 83 7.528 16.947 0.779 1.00 0.00 H new ATOM 0 HA ARG A 83 10.101 18.266 1.295 1.00 0.00 H new ATOM 0 HB2 ARG A 83 8.778 16.160 2.503 1.00 0.00 H new ATOM 0 HB3 ARG A 83 9.865 15.315 1.419 1.00 0.00 H new ATOM 0 HG2 ARG A 83 11.498 17.266 2.581 1.00 0.00 H new ATOM 0 HG3 ARG A 83 10.452 16.772 3.897 1.00 0.00 H new ATOM 0 HD2 ARG A 83 12.407 15.341 3.900 1.00 0.00 H new ATOM 0 HD3 ARG A 83 11.020 14.380 3.427 1.00 0.00 H new ATOM 0 HE ARG A 83 12.203 15.375 1.042 1.00 0.00 H new ATOM 0 HH11 ARG A 83 12.952 13.216 3.732 1.00 0.00 H new ATOM 0 HH12 ARG A 83 14.027 12.199 2.767 1.00 0.00 H new ATOM 0 HH21 ARG A 83 13.583 14.063 -0.192 1.00 0.00 H new ATOM 0 HH22 ARG A 83 14.383 12.676 0.555 1.00 0.00 H new ATOM 1336 N HIS A 84 9.435 16.223 -1.197 1.00 0.00 N ATOM 1337 CA HIS A 84 9.912 15.757 -2.493 1.00 0.00 C ATOM 1338 C HIS A 84 10.268 16.934 -3.397 1.00 0.00 C ATOM 1339 O HIS A 84 10.118 18.093 -3.010 1.00 0.00 O ATOM 1340 CB HIS A 84 8.853 14.884 -3.167 1.00 0.00 C ATOM 1341 CG HIS A 84 9.133 13.416 -3.065 1.00 0.00 C ATOM 1342 ND1 HIS A 84 8.637 12.491 -3.959 1.00 0.00 N ATOM 1343 CD2 HIS A 84 9.864 12.715 -2.167 1.00 0.00 C ATOM 1344 CE1 HIS A 84 9.049 11.284 -3.615 1.00 0.00 C ATOM 1345 NE2 HIS A 84 9.796 11.393 -2.531 1.00 0.00 N ATOM 0 H HIS A 84 8.485 15.931 -0.968 1.00 0.00 H new ATOM 0 HA HIS A 84 10.811 15.163 -2.329 1.00 0.00 H new ATOM 0 HB2 HIS A 84 7.882 15.092 -2.717 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.783 15.160 -4.219 1.00 0.00 H new ATOM 0 HD2 HIS A 84 10.401 13.120 -1.322 1.00 0.00 H new ATOM 0 HE1 HIS A 84 8.815 10.365 -4.132 1.00 0.00 H new ATOM 0 HE2 HIS A 84 10.249 10.620 -2.043 1.00 0.00 H new ATOM 1353 N ARG A 85 10.740 16.628 -4.601 1.00 0.00 N ATOM 1354 CA ARG A 85 11.119 17.661 -5.558 1.00 0.00 C ATOM 1355 C ARG A 85 12.370 18.400 -5.093 1.00 0.00 C ATOM 1356 O ARG A 85 13.463 18.182 -5.618 1.00 0.00 O ATOM 1357 CB ARG A 85 9.970 18.653 -5.751 1.00 0.00 C ATOM 1358 CG ARG A 85 9.390 18.645 -7.156 1.00 0.00 C ATOM 1359 CD ARG A 85 9.684 19.946 -7.887 1.00 0.00 C ATOM 1360 NE ARG A 85 9.063 21.094 -7.232 1.00 0.00 N ATOM 1361 CZ ARG A 85 7.769 21.379 -7.319 1.00 0.00 C ATOM 1362 NH1 ARG A 85 6.962 20.602 -8.028 1.00 0.00 N ATOM 1363 NH2 ARG A 85 7.279 22.442 -6.694 1.00 0.00 N ATOM 0 H ARG A 85 10.869 15.674 -4.937 1.00 0.00 H new ATOM 0 HA ARG A 85 11.337 17.177 -6.510 1.00 0.00 H new ATOM 0 HB2 ARG A 85 9.178 18.422 -5.038 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.325 19.657 -5.519 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.806 17.809 -7.718 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.312 18.490 -7.105 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.762 20.097 -7.938 1.00 0.00 H new ATOM 0 HD3 ARG A 85 9.323 19.875 -8.913 1.00 0.00 H new ATOM 0 HE ARG A 85 9.656 21.711 -6.677 1.00 0.00 H new ATOM 0 HH11 ARG A 85 7.335 19.783 -8.508 1.00 0.00 H new ATOM 0 HH12 ARG A 85 5.968 20.823 -8.093 1.00 0.00 H new ATOM 0 HH21 ARG A 85 7.896 23.041 -6.146 1.00 0.00 H new ATOM 0 HH22 ARG A 85 6.285 22.660 -6.761 1.00 0.00 H new ATOM 1377 N HIS A 86 12.203 19.275 -4.107 1.00 0.00 N ATOM 1378 CA HIS A 86 13.319 20.046 -3.571 1.00 0.00 C ATOM 1379 C HIS A 86 14.280 19.147 -2.799 1.00 0.00 C ATOM 1380 O HIS A 86 13.980 18.713 -1.687 1.00 0.00 O ATOM 1381 CB HIS A 86 12.805 21.163 -2.662 1.00 0.00 C ATOM 1382 CG HIS A 86 13.072 22.538 -3.193 1.00 0.00 C ATOM 1383 ND1 HIS A 86 14.300 22.932 -3.680 1.00 0.00 N ATOM 1384 CD2 HIS A 86 12.259 23.614 -3.313 1.00 0.00 C ATOM 1385 CE1 HIS A 86 14.232 24.190 -4.075 1.00 0.00 C ATOM 1386 NE2 HIS A 86 13.004 24.627 -3.864 1.00 0.00 N ATOM 0 H HIS A 86 11.305 19.468 -3.663 1.00 0.00 H new ATOM 0 HA HIS A 86 13.858 20.489 -4.409 1.00 0.00 H new ATOM 0 HB2 HIS A 86 11.731 21.039 -2.520 1.00 0.00 H new ATOM 0 HB3 HIS A 86 13.270 21.065 -1.681 1.00 0.00 H new ATOM 0 HD2 HIS A 86 11.218 23.666 -3.028 1.00 0.00 H new ATOM 0 HE1 HIS A 86 15.043 24.764 -4.499 1.00 0.00 H new ATOM 0 HE2 HIS A 86 12.664 25.565 -4.076 1.00 0.00 H new ATOM 1394 N SER A 87 15.435 18.872 -3.397 1.00 0.00 N ATOM 1395 CA SER A 87 16.438 18.021 -2.767 1.00 0.00 C ATOM 1396 C SER A 87 17.513 18.862 -2.085 1.00 0.00 C ATOM 1397 O SER A 87 17.556 20.081 -2.245 1.00 0.00 O ATOM 1398 CB SER A 87 17.078 17.098 -3.805 1.00 0.00 C ATOM 1399 OG SER A 87 17.989 16.199 -3.196 1.00 0.00 O ATOM 0 H SER A 87 15.699 19.226 -4.316 1.00 0.00 H new ATOM 0 HA SER A 87 15.941 17.415 -2.010 1.00 0.00 H new ATOM 0 HB2 SER A 87 16.302 16.537 -4.325 1.00 0.00 H new ATOM 0 HB3 SER A 87 17.597 17.694 -4.555 1.00 0.00 H new ATOM 0 HG SER A 87 18.383 15.619 -3.881 1.00 0.00 H new ATOM 1405 N GLU A 88 18.378 18.200 -1.323 1.00 0.00 N ATOM 1406 CA GLU A 88 19.452 18.886 -0.615 1.00 0.00 C ATOM 1407 C GLU A 88 20.555 19.310 -1.580 1.00 0.00 C ATOM 1408 O GLU A 88 20.657 18.790 -2.691 1.00 0.00 O ATOM 1409 CB GLU A 88 20.033 17.983 0.475 1.00 0.00 C ATOM 1410 CG GLU A 88 20.017 18.612 1.858 1.00 0.00 C ATOM 1411 CD GLU A 88 21.300 19.358 2.175 1.00 0.00 C ATOM 1412 OE1 GLU A 88 22.253 18.716 2.662 1.00 0.00 O ATOM 1413 OE2 GLU A 88 21.349 20.582 1.935 1.00 0.00 O ATOM 0 H GLU A 88 18.356 17.190 -1.180 1.00 0.00 H new ATOM 0 HA GLU A 88 19.034 19.780 -0.152 1.00 0.00 H new ATOM 0 HB2 GLU A 88 19.468 17.051 0.502 1.00 0.00 H new ATOM 0 HB3 GLU A 88 21.060 17.726 0.214 1.00 0.00 H new ATOM 0 HG2 GLU A 88 19.174 19.299 1.931 1.00 0.00 H new ATOM 0 HG3 GLU A 88 19.859 17.834 2.605 1.00 0.00 H new ATOM 1420 N SER A 89 21.380 20.259 -1.148 1.00 0.00 N ATOM 1421 CA SER A 89 22.473 20.757 -1.974 1.00 0.00 C ATOM 1422 C SER A 89 23.472 19.645 -2.281 1.00 0.00 C ATOM 1423 O SER A 89 24.304 19.295 -1.446 1.00 0.00 O ATOM 1424 CB SER A 89 23.183 21.917 -1.273 1.00 0.00 C ATOM 1425 OG SER A 89 22.250 22.865 -0.785 1.00 0.00 O ATOM 0 H SER A 89 21.312 20.698 -0.230 1.00 0.00 H new ATOM 0 HA SER A 89 22.052 21.113 -2.914 1.00 0.00 H new ATOM 0 HB2 SER A 89 23.783 21.535 -0.447 1.00 0.00 H new ATOM 0 HB3 SER A 89 23.869 22.401 -1.968 1.00 0.00 H new ATOM 0 HG SER A 89 22.728 23.595 -0.340 1.00 0.00 H new ATOM 1431 N GLY A 90 23.382 19.094 -3.488 1.00 0.00 N ATOM 1432 CA GLY A 90 24.283 18.028 -3.885 1.00 0.00 C ATOM 1433 C GLY A 90 23.649 16.657 -3.759 1.00 0.00 C ATOM 1434 O GLY A 90 22.526 16.510 -3.278 1.00 0.00 O ATOM 0 H GLY A 90 22.702 19.367 -4.197 1.00 0.00 H new ATOM 0 HA2 GLY A 90 24.596 18.187 -4.917 1.00 0.00 H new ATOM 0 HA3 GLY A 90 25.182 18.068 -3.269 1.00 0.00 H new ATOM 1438 N PRO A 91 24.378 15.621 -4.201 1.00 0.00 N ATOM 1439 CA PRO A 91 23.900 14.236 -4.146 1.00 0.00 C ATOM 1440 C PRO A 91 23.828 13.703 -2.719 1.00 0.00 C ATOM 1441 O PRO A 91 22.973 12.878 -2.397 1.00 0.00 O ATOM 1442 CB PRO A 91 24.950 13.467 -4.952 1.00 0.00 C ATOM 1443 CG PRO A 91 26.186 14.291 -4.849 1.00 0.00 C ATOM 1444 CD PRO A 91 25.725 15.722 -4.786 1.00 0.00 C ATOM 0 HA PRO A 91 22.887 14.139 -4.536 1.00 0.00 H new ATOM 0 HB2 PRO A 91 25.106 12.467 -4.547 1.00 0.00 H new ATOM 0 HB3 PRO A 91 24.641 13.345 -5.990 1.00 0.00 H new ATOM 0 HG2 PRO A 91 26.759 14.026 -3.960 1.00 0.00 H new ATOM 0 HG3 PRO A 91 26.837 14.128 -5.708 1.00 0.00 H new ATOM 0 HD2 PRO A 91 26.386 16.330 -4.169 1.00 0.00 H new ATOM 0 HD3 PRO A 91 25.700 16.180 -5.775 1.00 0.00 H new ATOM 1452 N SER A 92 24.730 14.181 -1.868 1.00 0.00 N ATOM 1453 CA SER A 92 24.770 13.749 -0.476 1.00 0.00 C ATOM 1454 C SER A 92 24.055 14.752 0.425 1.00 0.00 C ATOM 1455 O SER A 92 24.353 15.946 0.402 1.00 0.00 O ATOM 1456 CB SER A 92 26.219 13.576 -0.015 1.00 0.00 C ATOM 1457 OG SER A 92 26.869 12.554 -0.750 1.00 0.00 O ATOM 0 H SER A 92 25.442 14.867 -2.118 1.00 0.00 H new ATOM 0 HA SER A 92 24.256 12.791 -0.404 1.00 0.00 H new ATOM 0 HB2 SER A 92 26.758 14.516 -0.138 1.00 0.00 H new ATOM 0 HB3 SER A 92 26.239 13.333 1.047 1.00 0.00 H new ATOM 0 HG SER A 92 27.794 12.464 -0.438 1.00 0.00 H new ATOM 1463 N SER A 93 23.109 14.258 1.217 1.00 0.00 N ATOM 1464 CA SER A 93 22.347 15.110 2.122 1.00 0.00 C ATOM 1465 C SER A 93 22.754 14.863 3.572 1.00 0.00 C ATOM 1466 O SER A 93 23.358 13.840 3.893 1.00 0.00 O ATOM 1467 CB SER A 93 20.848 14.859 1.952 1.00 0.00 C ATOM 1468 OG SER A 93 20.547 13.478 2.051 1.00 0.00 O ATOM 0 H SER A 93 22.852 13.272 1.250 1.00 0.00 H new ATOM 0 HA SER A 93 22.565 16.149 1.873 1.00 0.00 H new ATOM 0 HB2 SER A 93 20.295 15.410 2.713 1.00 0.00 H new ATOM 0 HB3 SER A 93 20.520 15.237 0.984 1.00 0.00 H new ATOM 0 HG SER A 93 19.582 13.345 1.941 1.00 0.00 H new ATOM 1474 N GLY A 94 22.418 15.809 4.444 1.00 0.00 N ATOM 1475 CA GLY A 94 22.757 15.676 5.849 1.00 0.00 C ATOM 1476 C GLY A 94 21.628 15.075 6.663 1.00 0.00 C ATOM 1477 O GLY A 94 20.672 15.783 6.976 1.00 0.00 O ATOM 0 H GLY A 94 21.918 16.664 4.203 1.00 0.00 H new ATOM 0 HA2 GLY A 94 23.645 15.051 5.948 1.00 0.00 H new ATOM 0 HA3 GLY A 94 23.010 16.656 6.253 1.00 0.00 H new TER 1481 GLY A 94 HETATM 1482 ZN ZN A 201 -11.037 -1.968 13.090 1.00 0.00 ZN