USER MOD reduce.3.24.130724 H: found=0, std=0, add=891, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 892 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: B 219 HIS HD1 : B 219 HIS ND1 : B 301 ZNZN :(H bumps) USER MOD Set 1.1: B 214 SER OG : rot 76:sc= 0.245 USER MOD Set 1.2: B 215 HIS :FLIP no HD1:sc= 0.117 F(o=-1,f=0.36) USER MOD Set 2.1: A 7 THR OG1 : rot 123:sc= 1.3 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 1.01 USER MOD Set 3.1: A 0 HIS : no HE2:sc= -0.204 K(o=-0.05,f=-3.1) USER MOD Set 3.2: A 2 GLN : amide:sc= 0.154 K(o=-0.05,f=-1.4) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ -139:sc= 0.203 (180deg=-0.235) USER MOD Single : A 11 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0375) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -66:sc= 0.0524 USER MOD Single : A 20 SER OG : rot -39:sc= 0.501 USER MOD Single : A 22 THR OG1 : rot 29:sc= 0.497 USER MOD Single : A 25 ASN : amide:sc= -0.312 X(o=-0.31,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -107:sc= 0.225 (180deg=-0.168) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.0525 F(o=-0.84,f=-0.053) USER MOD Single : A 33 LYS NZ :NH3+ -179:sc= 0.59 (180deg=0.59) USER MOD Single : A 40 GLN : amide:sc= -0.673 K(o=-0.67,f=-1.5!) USER MOD Single : A 41 GLN :FLIP amide:sc= -5.39! C(o=-6.8!,f=-5.4!) USER MOD Single : A 48 LYS NZ :NH3+ -163:sc= 0.732 (180deg=0.549) USER MOD Single : A 49 GLN : amide:sc= 0.337 K(o=0.34,f=-7!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0211 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -83:sc= -0.489 USER MOD Single : A 60 ASN :FLIP amide:sc= -0.0274 F(o=-1.8!,f=-0.027) USER MOD Single : A 62 GLN : amide:sc= 0.111 X(o=0.11,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -149:sc= 0.409 (180deg=0.165) USER MOD Single : A 65 SER OG : rot 81:sc= 0.695 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 196 SER OG : rot 180:sc= 0 USER MOD Single : B 198 GLN :FLIP amide:sc= 0 F(o=-0.5,f=0) USER MOD Single : B 200 THR OG1 : rot 180:sc= 0 USER MOD Single : B 201 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 210 ASN : amide:sc= -0.0208 K(o=-0.021,f=-0.52) USER MOD Single : B 217 ASN : amide:sc= -0.137 K(o=-0.14,f=-3.6!) USER MOD Single : B 218 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 222 SER OG : rot 180:sc= 0 USER MOD Single : B 225 SER OG : rot 85:sc= 0.124 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 -1.269 3.442 -0.867 1.00 0.00 N ATOM 2 CA GLY A -2 -0.277 2.351 -1.062 1.00 0.00 C ATOM 3 C GLY A -2 1.108 2.873 -1.414 1.00 0.00 C ATOM 4 O GLY A -2 2.113 2.179 -1.211 1.00 0.00 O ATOM 0 H1 GLY A -2 -1.875 3.219 -0.051 1.00 0.00 H new ATOM 0 H2 GLY A -2 -0.770 4.338 -0.693 1.00 0.00 H new ATOM 0 H3 GLY A -2 -1.857 3.533 -1.720 1.00 0.00 H new ATOM 0 HA2 GLY A -2 -0.215 1.754 -0.152 1.00 0.00 H new ATOM 0 HA3 GLY A -2 -0.623 1.688 -1.855 1.00 0.00 H new ATOM 10 N SER A -1 1.161 4.097 -1.959 1.00 0.00 N ATOM 11 CA SER A -1 2.414 4.788 -2.281 1.00 0.00 C ATOM 12 C SER A -1 2.916 5.566 -1.047 1.00 0.00 C ATOM 13 O SER A -1 2.314 5.483 0.038 1.00 0.00 O ATOM 14 CB SER A -1 2.176 5.739 -3.475 1.00 0.00 C ATOM 15 OG SER A -1 1.611 5.047 -4.578 1.00 0.00 O ATOM 0 H SER A -1 0.328 4.638 -2.190 1.00 0.00 H new ATOM 0 HA SER A -1 3.179 4.062 -2.557 1.00 0.00 H new ATOM 0 HB2 SER A -1 1.512 6.549 -3.172 1.00 0.00 H new ATOM 0 HB3 SER A -1 3.120 6.195 -3.773 1.00 0.00 H new ATOM 0 HG SER A -1 1.469 5.673 -5.319 1.00 0.00 H new ATOM 21 N HIS A 0 4.027 6.301 -1.210 1.00 0.00 N ATOM 22 CA HIS A 0 4.561 7.168 -0.154 1.00 0.00 C ATOM 23 C HIS A 0 5.095 8.466 -0.785 1.00 0.00 C ATOM 24 O HIS A 0 6.011 8.435 -1.615 1.00 0.00 O ATOM 25 CB HIS A 0 5.650 6.428 0.693 1.00 0.00 C ATOM 26 CG HIS A 0 7.002 6.228 0.042 1.00 0.00 C ATOM 27 ND1 HIS A 0 8.042 7.129 0.177 1.00 0.00 N ATOM 28 CD2 HIS A 0 7.477 5.243 -0.750 1.00 0.00 C ATOM 29 CE1 HIS A 0 9.082 6.704 -0.502 1.00 0.00 C ATOM 30 NE2 HIS A 0 8.769 5.562 -1.074 1.00 0.00 N ATOM 0 H HIS A 0 4.575 6.310 -2.070 1.00 0.00 H new ATOM 0 HA HIS A 0 3.761 7.427 0.540 1.00 0.00 H new ATOM 0 HB2 HIS A 0 5.798 6.985 1.618 1.00 0.00 H new ATOM 0 HB3 HIS A 0 5.258 5.449 0.970 1.00 0.00 H new ATOM 0 HD1 HIS A 0 8.007 7.991 0.721 1.00 0.00 H new ATOM 0 HD2 HIS A 0 6.937 4.364 -1.070 1.00 0.00 H new ATOM 0 HE1 HIS A 0 10.034 7.208 -0.578 1.00 0.00 H new ATOM 39 N MET A 1 4.474 9.601 -0.439 1.00 0.00 N ATOM 40 CA MET A 1 4.932 10.939 -0.860 1.00 0.00 C ATOM 41 C MET A 1 5.586 11.620 0.336 1.00 0.00 C ATOM 42 O MET A 1 5.203 11.385 1.480 1.00 0.00 O ATOM 43 CB MET A 1 3.756 11.811 -1.365 1.00 0.00 C ATOM 44 CG MET A 1 2.858 11.146 -2.411 1.00 0.00 C ATOM 45 SD MET A 1 3.748 10.699 -3.918 1.00 0.00 S ATOM 46 CE MET A 1 2.409 10.078 -4.936 1.00 0.00 C ATOM 0 H MET A 1 3.636 9.621 0.143 1.00 0.00 H new ATOM 0 HA MET A 1 5.639 10.825 -1.682 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.142 12.096 -0.511 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.161 12.730 -1.788 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.409 10.251 -1.981 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.041 11.822 -2.664 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.803 9.762 -5.902 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.939 9.228 -4.441 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.670 10.865 -5.085 1.00 0.00 H new ATOM 56 N GLN A 2 6.550 12.484 0.072 1.00 0.00 N ATOM 57 CA GLN A 2 7.335 13.126 1.133 1.00 0.00 C ATOM 58 C GLN A 2 6.824 14.529 1.417 1.00 0.00 C ATOM 59 O GLN A 2 6.639 15.298 0.498 1.00 0.00 O ATOM 60 CB GLN A 2 8.847 13.138 0.801 1.00 0.00 C ATOM 61 CG GLN A 2 9.555 11.776 1.006 1.00 0.00 C ATOM 62 CD GLN A 2 9.297 10.763 -0.106 1.00 0.00 C ATOM 63 OE1 GLN A 2 8.362 9.965 -0.046 1.00 0.00 O ATOM 64 NE2 GLN A 2 10.129 10.796 -1.128 1.00 0.00 N ATOM 0 H GLN A 2 6.816 12.764 -0.872 1.00 0.00 H new ATOM 0 HA GLN A 2 7.208 12.531 2.038 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.977 13.450 -0.235 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.338 13.887 1.423 1.00 0.00 H new ATOM 0 HG2 GLN A 2 10.629 11.946 1.085 1.00 0.00 H new ATOM 0 HG3 GLN A 2 9.229 11.349 1.954 1.00 0.00 H new ATOM 0 HE21 GLN A 2 10.893 11.472 -1.142 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.009 10.146 -1.904 1.00 0.00 H new ATOM 73 N ILE A 3 6.597 14.827 2.712 1.00 0.00 N ATOM 74 CA ILE A 3 6.180 16.159 3.209 1.00 0.00 C ATOM 75 C ILE A 3 7.114 16.592 4.352 1.00 0.00 C ATOM 76 O ILE A 3 7.602 15.754 5.122 1.00 0.00 O ATOM 77 CB ILE A 3 4.664 16.234 3.694 1.00 0.00 C ATOM 78 CG1 ILE A 3 4.281 15.084 4.700 1.00 0.00 C ATOM 79 CG2 ILE A 3 3.693 16.276 2.489 1.00 0.00 C ATOM 80 CD1 ILE A 3 4.082 13.701 4.080 1.00 0.00 C ATOM 0 H ILE A 3 6.699 14.138 3.457 1.00 0.00 H new ATOM 0 HA ILE A 3 6.255 16.839 2.360 1.00 0.00 H new ATOM 0 HB ILE A 3 4.563 17.168 4.247 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.062 15.014 5.457 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.363 15.367 5.214 1.00 0.00 H new ATOM 0 HG21 ILE A 3 2.666 16.327 2.851 1.00 0.00 H new ATOM 0 HG22 ILE A 3 3.907 17.154 1.880 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.821 15.377 1.887 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.822 12.986 4.861 1.00 0.00 H new ATOM 0 HD12 ILE A 3 3.278 13.744 3.345 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.004 13.385 3.592 1.00 0.00 H new ATOM 92 N PHE A 4 7.353 17.908 4.443 1.00 0.00 N ATOM 93 CA PHE A 4 8.326 18.500 5.375 1.00 0.00 C ATOM 94 C PHE A 4 7.591 19.126 6.570 1.00 0.00 C ATOM 95 O PHE A 4 7.042 20.221 6.474 1.00 0.00 O ATOM 96 CB PHE A 4 9.186 19.558 4.628 1.00 0.00 C ATOM 97 CG PHE A 4 9.907 19.000 3.399 1.00 0.00 C ATOM 98 CD1 PHE A 4 11.019 18.171 3.548 1.00 0.00 C ATOM 99 CD2 PHE A 4 9.472 19.293 2.104 1.00 0.00 C ATOM 100 CE1 PHE A 4 11.670 17.650 2.446 1.00 0.00 C ATOM 101 CE2 PHE A 4 10.126 18.773 1.002 1.00 0.00 C ATOM 102 CZ PHE A 4 11.226 17.952 1.173 1.00 0.00 C ATOM 0 H PHE A 4 6.872 18.599 3.867 1.00 0.00 H new ATOM 0 HA PHE A 4 8.990 17.724 5.755 1.00 0.00 H new ATOM 0 HB2 PHE A 4 8.545 20.384 4.320 1.00 0.00 H new ATOM 0 HB3 PHE A 4 9.924 19.968 5.318 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.376 17.933 4.539 1.00 0.00 H new ATOM 0 HD2 PHE A 4 8.614 19.934 1.962 1.00 0.00 H new ATOM 0 HE1 PHE A 4 12.527 17.006 2.580 1.00 0.00 H new ATOM 0 HE2 PHE A 4 9.778 19.008 0.007 1.00 0.00 H new ATOM 0 HZ PHE A 4 11.737 17.547 0.312 1.00 0.00 H new ATOM 112 N VAL A 5 7.560 18.402 7.693 1.00 0.00 N ATOM 113 CA VAL A 5 6.918 18.863 8.928 1.00 0.00 C ATOM 114 C VAL A 5 8.022 19.352 9.870 1.00 0.00 C ATOM 115 O VAL A 5 8.717 18.557 10.507 1.00 0.00 O ATOM 116 CB VAL A 5 6.065 17.715 9.573 1.00 0.00 C ATOM 117 CG1 VAL A 5 5.467 18.140 10.925 1.00 0.00 C ATOM 118 CG2 VAL A 5 4.935 17.276 8.608 1.00 0.00 C ATOM 0 H VAL A 5 7.981 17.476 7.771 1.00 0.00 H new ATOM 0 HA VAL A 5 6.227 19.680 8.721 1.00 0.00 H new ATOM 0 HB VAL A 5 6.733 16.873 9.753 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.883 17.318 11.339 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.272 18.397 11.614 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.822 19.007 10.781 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.352 16.479 9.069 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.286 18.126 8.398 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.372 16.914 7.677 1.00 0.00 H new ATOM 128 N LYS A 6 8.194 20.673 9.905 1.00 0.00 N ATOM 129 CA LYS A 6 9.325 21.327 10.566 1.00 0.00 C ATOM 130 C LYS A 6 8.919 21.831 11.957 1.00 0.00 C ATOM 131 O LYS A 6 7.982 22.626 12.085 1.00 0.00 O ATOM 132 CB LYS A 6 9.812 22.503 9.689 1.00 0.00 C ATOM 133 CG LYS A 6 11.209 23.034 10.054 1.00 0.00 C ATOM 134 CD LYS A 6 11.741 24.039 9.011 1.00 0.00 C ATOM 135 CE LYS A 6 13.214 24.374 9.238 1.00 0.00 C ATOM 136 NZ LYS A 6 13.741 25.301 8.204 1.00 0.00 N ATOM 0 H LYS A 6 7.544 21.328 9.470 1.00 0.00 H new ATOM 0 HA LYS A 6 10.134 20.607 10.692 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.819 22.184 8.647 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.095 23.320 9.767 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.169 23.514 11.032 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.903 22.198 10.138 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.613 23.625 8.011 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.150 24.954 9.055 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.336 24.824 10.223 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.800 23.455 9.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.743 25.502 8.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.649 24.862 7.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.200 26.189 8.226 1.00 0.00 H new ATOM 150 N THR A 7 9.651 21.381 12.981 1.00 0.00 N ATOM 151 CA THR A 7 9.400 21.734 14.379 1.00 0.00 C ATOM 152 C THR A 7 9.683 23.214 14.683 1.00 0.00 C ATOM 153 O THR A 7 10.328 23.924 13.898 1.00 0.00 O ATOM 154 CB THR A 7 10.264 20.850 15.333 1.00 0.00 C ATOM 155 OG1 THR A 7 11.647 20.947 14.961 1.00 0.00 O ATOM 156 CG2 THR A 7 9.828 19.385 15.315 1.00 0.00 C ATOM 0 H THR A 7 10.445 20.753 12.859 1.00 0.00 H new ATOM 0 HA THR A 7 8.339 21.553 14.550 1.00 0.00 H new ATOM 0 HB THR A 7 10.120 21.223 16.347 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.172 21.255 15.729 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.458 18.810 15.994 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.788 19.311 15.634 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.927 18.988 14.304 1.00 0.00 H new ATOM 164 N LEU A 8 9.209 23.651 15.864 1.00 0.00 N ATOM 165 CA LEU A 8 9.515 24.976 16.419 1.00 0.00 C ATOM 166 C LEU A 8 11.012 25.087 16.803 1.00 0.00 C ATOM 167 O LEU A 8 11.532 26.194 16.979 1.00 0.00 O ATOM 168 CB LEU A 8 8.620 25.260 17.651 1.00 0.00 C ATOM 169 CG LEU A 8 7.074 25.198 17.424 1.00 0.00 C ATOM 170 CD1 LEU A 8 6.312 25.476 18.735 1.00 0.00 C ATOM 171 CD2 LEU A 8 6.609 26.151 16.297 1.00 0.00 C ATOM 0 H LEU A 8 8.601 23.090 16.460 1.00 0.00 H new ATOM 0 HA LEU A 8 9.307 25.722 15.652 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.878 24.545 18.432 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.869 26.251 18.031 1.00 0.00 H new ATOM 0 HG LEU A 8 6.839 24.184 17.100 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.239 25.427 18.550 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.586 24.729 19.480 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.572 26.469 19.103 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.529 26.072 16.177 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.872 27.177 16.556 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.099 25.876 15.363 1.00 0.00 H new ATOM 183 N THR A 9 11.702 23.922 16.922 1.00 0.00 N ATOM 184 CA THR A 9 13.154 23.862 17.182 1.00 0.00 C ATOM 185 C THR A 9 13.961 23.949 15.863 1.00 0.00 C ATOM 186 O THR A 9 15.190 23.860 15.873 1.00 0.00 O ATOM 187 CB THR A 9 13.522 22.566 17.983 1.00 0.00 C ATOM 188 OG1 THR A 9 13.014 21.408 17.301 1.00 0.00 O ATOM 189 CG2 THR A 9 12.960 22.600 19.420 1.00 0.00 C ATOM 0 H THR A 9 11.264 23.005 16.840 1.00 0.00 H new ATOM 0 HA THR A 9 13.423 24.724 17.792 1.00 0.00 H new ATOM 0 HB THR A 9 14.609 22.517 18.045 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.249 20.602 17.806 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.237 21.684 19.941 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.371 23.458 19.951 1.00 0.00 H new ATOM 0 HG23 THR A 9 11.874 22.682 19.384 1.00 0.00 H new ATOM 197 N GLY A 10 13.247 24.124 14.728 1.00 0.00 N ATOM 198 CA GLY A 10 13.870 24.396 13.428 1.00 0.00 C ATOM 199 C GLY A 10 14.370 23.148 12.710 1.00 0.00 C ATOM 200 O GLY A 10 15.078 23.251 11.700 1.00 0.00 O ATOM 0 H GLY A 10 12.229 24.080 14.695 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.148 24.906 12.790 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.706 25.080 13.573 1.00 0.00 H new ATOM 204 N LYS A 11 14.021 21.972 13.244 1.00 0.00 N ATOM 205 CA LYS A 11 14.392 20.666 12.668 1.00 0.00 C ATOM 206 C LYS A 11 13.271 20.166 11.745 1.00 0.00 C ATOM 207 O LYS A 11 12.099 20.233 12.094 1.00 0.00 O ATOM 208 CB LYS A 11 14.718 19.663 13.826 1.00 0.00 C ATOM 209 CG LYS A 11 14.243 18.203 13.635 1.00 0.00 C ATOM 210 CD LYS A 11 14.646 17.289 14.819 1.00 0.00 C ATOM 211 CE LYS A 11 14.182 15.837 14.649 1.00 0.00 C ATOM 212 NZ LYS A 11 14.810 15.189 13.477 1.00 0.00 N ATOM 0 H LYS A 11 13.467 21.895 14.097 1.00 0.00 H new ATOM 0 HA LYS A 11 15.288 20.759 12.055 1.00 0.00 H new ATOM 0 HB2 LYS A 11 15.798 19.653 13.973 1.00 0.00 H new ATOM 0 HB3 LYS A 11 14.274 20.048 14.744 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.159 18.189 13.522 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.665 17.805 12.712 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.730 17.306 14.930 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.225 17.692 15.740 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.424 15.271 15.549 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.098 15.813 14.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 14.564 14.179 13.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.465 15.639 12.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 15.843 15.293 13.535 1.00 0.00 H new ATOM 226 N THR A 12 13.653 19.649 10.573 1.00 0.00 N ATOM 227 CA THR A 12 12.697 19.238 9.524 1.00 0.00 C ATOM 228 C THR A 12 12.509 17.709 9.528 1.00 0.00 C ATOM 229 O THR A 12 13.487 16.956 9.424 1.00 0.00 O ATOM 230 CB THR A 12 13.191 19.703 8.119 1.00 0.00 C ATOM 231 OG1 THR A 12 13.533 21.101 8.155 1.00 0.00 O ATOM 232 CG2 THR A 12 12.130 19.470 7.020 1.00 0.00 C ATOM 0 H THR A 12 14.630 19.501 10.319 1.00 0.00 H new ATOM 0 HA THR A 12 11.739 19.712 9.738 1.00 0.00 H new ATOM 0 HB THR A 12 14.068 19.105 7.873 1.00 0.00 H new ATOM 0 HG1 THR A 12 13.844 21.385 7.270 1.00 0.00 H new ATOM 0 HG21 THR A 12 12.520 19.809 6.060 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.895 18.407 6.961 1.00 0.00 H new ATOM 0 HG23 THR A 12 11.226 20.029 7.263 1.00 0.00 H new ATOM 240 N ILE A 13 11.247 17.268 9.655 1.00 0.00 N ATOM 241 CA ILE A 13 10.871 15.843 9.662 1.00 0.00 C ATOM 242 C ILE A 13 10.172 15.491 8.341 1.00 0.00 C ATOM 243 O ILE A 13 9.069 15.960 8.076 1.00 0.00 O ATOM 244 CB ILE A 13 9.971 15.469 10.909 1.00 0.00 C ATOM 245 CG1 ILE A 13 10.750 15.707 12.252 1.00 0.00 C ATOM 246 CG2 ILE A 13 9.473 14.012 10.829 1.00 0.00 C ATOM 247 CD1 ILE A 13 10.719 17.134 12.761 1.00 0.00 C ATOM 0 H ILE A 13 10.450 17.896 9.757 1.00 0.00 H new ATOM 0 HA ILE A 13 11.781 15.250 9.753 1.00 0.00 H new ATOM 0 HB ILE A 13 9.100 16.124 10.891 1.00 0.00 H new ATOM 0 HG12 ILE A 13 10.333 15.054 13.018 1.00 0.00 H new ATOM 0 HG13 ILE A 13 11.789 15.409 12.111 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.858 13.789 11.701 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.881 13.879 9.924 1.00 0.00 H new ATOM 0 HG23 ILE A 13 10.328 13.336 10.806 1.00 0.00 H new ATOM 0 HD11 ILE A 13 11.283 17.201 13.692 1.00 0.00 H new ATOM 0 HD12 ILE A 13 11.165 17.795 12.018 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.687 17.434 12.940 1.00 0.00 H new ATOM 259 N THR A 14 10.853 14.691 7.506 1.00 0.00 N ATOM 260 CA THR A 14 10.315 14.203 6.230 1.00 0.00 C ATOM 261 C THR A 14 9.519 12.904 6.463 1.00 0.00 C ATOM 262 O THR A 14 10.081 11.915 6.941 1.00 0.00 O ATOM 263 CB THR A 14 11.476 13.951 5.211 1.00 0.00 C ATOM 264 OG1 THR A 14 12.214 15.170 5.035 1.00 0.00 O ATOM 265 CG2 THR A 14 10.969 13.466 3.835 1.00 0.00 C ATOM 0 H THR A 14 11.799 14.363 7.700 1.00 0.00 H new ATOM 0 HA THR A 14 9.649 14.959 5.814 1.00 0.00 H new ATOM 0 HB THR A 14 12.106 13.162 5.622 1.00 0.00 H new ATOM 0 HG1 THR A 14 11.645 15.837 4.597 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.818 13.308 3.170 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.424 12.530 3.957 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.307 14.218 3.406 1.00 0.00 H new ATOM 273 N LEU A 15 8.212 12.927 6.145 1.00 0.00 N ATOM 274 CA LEU A 15 7.321 11.746 6.258 1.00 0.00 C ATOM 275 C LEU A 15 7.071 11.175 4.875 1.00 0.00 C ATOM 276 O LEU A 15 7.268 11.862 3.887 1.00 0.00 O ATOM 277 CB LEU A 15 5.951 12.094 6.917 1.00 0.00 C ATOM 278 CG LEU A 15 6.008 12.768 8.315 1.00 0.00 C ATOM 279 CD1 LEU A 15 6.994 12.049 9.237 1.00 0.00 C ATOM 280 CD2 LEU A 15 6.350 14.257 8.209 1.00 0.00 C ATOM 0 H LEU A 15 7.739 13.763 5.802 1.00 0.00 H new ATOM 0 HA LEU A 15 7.822 11.019 6.897 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.405 12.753 6.242 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.371 11.175 7.004 1.00 0.00 H new ATOM 0 HG LEU A 15 5.013 12.686 8.754 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.012 12.544 10.208 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.683 11.012 9.364 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.991 12.078 8.797 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.381 14.695 9.207 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.323 14.374 7.731 1.00 0.00 H new ATOM 0 HD23 LEU A 15 5.590 14.763 7.614 1.00 0.00 H new ATOM 292 N GLU A 16 6.603 9.925 4.823 1.00 0.00 N ATOM 293 CA GLU A 16 6.394 9.190 3.570 1.00 0.00 C ATOM 294 C GLU A 16 4.940 8.691 3.512 1.00 0.00 C ATOM 295 O GLU A 16 4.673 7.499 3.690 1.00 0.00 O ATOM 296 CB GLU A 16 7.414 8.021 3.499 1.00 0.00 C ATOM 297 CG GLU A 16 8.889 8.460 3.497 1.00 0.00 C ATOM 298 CD GLU A 16 9.863 7.279 3.581 1.00 0.00 C ATOM 299 OE1 GLU A 16 10.048 6.743 4.694 1.00 0.00 O ATOM 300 OE2 GLU A 16 10.448 6.887 2.546 1.00 0.00 O ATOM 0 H GLU A 16 6.356 9.389 5.655 1.00 0.00 H new ATOM 0 HA GLU A 16 6.558 9.836 2.707 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.247 7.358 4.348 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.220 7.440 2.597 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.092 9.028 2.589 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.065 9.130 4.339 1.00 0.00 H new ATOM 307 N VAL A 17 3.991 9.628 3.302 1.00 0.00 N ATOM 308 CA VAL A 17 2.537 9.328 3.292 1.00 0.00 C ATOM 309 C VAL A 17 1.877 10.013 2.080 1.00 0.00 C ATOM 310 O VAL A 17 2.504 10.815 1.392 1.00 0.00 O ATOM 311 CB VAL A 17 1.804 9.787 4.629 1.00 0.00 C ATOM 312 CG1 VAL A 17 2.633 9.471 5.891 1.00 0.00 C ATOM 313 CG2 VAL A 17 1.408 11.281 4.594 1.00 0.00 C ATOM 0 H VAL A 17 4.206 10.611 3.135 1.00 0.00 H new ATOM 0 HA VAL A 17 2.432 8.245 3.223 1.00 0.00 H new ATOM 0 HB VAL A 17 0.886 9.201 4.684 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.090 9.803 6.776 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.805 8.397 5.953 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.590 9.990 5.837 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.911 11.548 5.527 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.303 11.892 4.472 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.731 11.458 3.759 1.00 0.00 H new ATOM 323 N GLU A 18 0.593 9.736 1.870 1.00 0.00 N ATOM 324 CA GLU A 18 -0.182 10.309 0.758 1.00 0.00 C ATOM 325 C GLU A 18 -0.752 11.684 1.177 1.00 0.00 C ATOM 326 O GLU A 18 -1.044 11.881 2.366 1.00 0.00 O ATOM 327 CB GLU A 18 -1.345 9.337 0.419 1.00 0.00 C ATOM 328 CG GLU A 18 -0.961 7.837 0.457 1.00 0.00 C ATOM 329 CD GLU A 18 -0.422 7.276 -0.873 1.00 0.00 C ATOM 330 OE1 GLU A 18 0.503 7.884 -1.459 1.00 0.00 O ATOM 331 OE2 GLU A 18 -0.919 6.224 -1.342 1.00 0.00 O ATOM 0 H GLU A 18 0.053 9.107 2.464 1.00 0.00 H new ATOM 0 HA GLU A 18 0.456 10.445 -0.115 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.161 9.508 1.121 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.724 9.577 -0.574 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.207 7.688 1.230 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.837 7.259 0.751 1.00 0.00 H new ATOM 338 N PRO A 19 -0.927 12.664 0.234 1.00 0.00 N ATOM 339 CA PRO A 19 -1.709 13.887 0.520 1.00 0.00 C ATOM 340 C PRO A 19 -3.182 13.545 0.870 1.00 0.00 C ATOM 341 O PRO A 19 -3.798 14.198 1.706 1.00 0.00 O ATOM 342 CB PRO A 19 -1.579 14.734 -0.779 1.00 0.00 C ATOM 343 CG PRO A 19 -1.165 13.756 -1.841 1.00 0.00 C ATOM 344 CD PRO A 19 -0.347 12.691 -1.136 1.00 0.00 C ATOM 0 HA PRO A 19 -1.344 14.432 1.390 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.524 15.215 -1.032 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.839 15.526 -0.662 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.036 13.319 -2.329 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.578 14.248 -2.617 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.436 11.723 -1.630 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.713 12.944 -1.119 1.00 0.00 H new ATOM 352 N SER A 20 -3.702 12.456 0.276 1.00 0.00 N ATOM 353 CA SER A 20 -5.094 12.005 0.480 1.00 0.00 C ATOM 354 C SER A 20 -5.149 10.867 1.530 1.00 0.00 C ATOM 355 O SER A 20 -6.151 10.146 1.624 1.00 0.00 O ATOM 356 CB SER A 20 -5.689 11.557 -0.882 1.00 0.00 C ATOM 357 OG SER A 20 -7.069 11.229 -0.790 1.00 0.00 O ATOM 0 H SER A 20 -3.170 11.862 -0.360 1.00 0.00 H new ATOM 0 HA SER A 20 -5.694 12.828 0.867 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.556 12.354 -1.613 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.137 10.692 -1.250 1.00 0.00 H new ATOM 0 HG SER A 20 -7.237 10.752 0.050 1.00 0.00 H new ATOM 363 N ASP A 21 -4.071 10.726 2.339 1.00 0.00 N ATOM 364 CA ASP A 21 -4.009 9.705 3.407 1.00 0.00 C ATOM 365 C ASP A 21 -4.900 10.146 4.598 1.00 0.00 C ATOM 366 O ASP A 21 -6.112 9.900 4.582 1.00 0.00 O ATOM 367 CB ASP A 21 -2.524 9.441 3.835 1.00 0.00 C ATOM 368 CG ASP A 21 -2.311 8.156 4.664 1.00 0.00 C ATOM 369 OD1 ASP A 21 -3.032 7.935 5.659 1.00 0.00 O ATOM 370 OD2 ASP A 21 -1.417 7.363 4.311 1.00 0.00 O ATOM 0 H ASP A 21 -3.235 11.307 2.270 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.398 8.758 3.033 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.906 9.386 2.939 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.170 10.294 4.414 1.00 0.00 H new ATOM 375 N THR A 22 -4.281 10.802 5.605 1.00 0.00 N ATOM 376 CA THR A 22 -4.957 11.392 6.768 1.00 0.00 C ATOM 377 C THR A 22 -3.897 11.976 7.714 1.00 0.00 C ATOM 378 O THR A 22 -2.772 11.463 7.788 1.00 0.00 O ATOM 379 CB THR A 22 -5.889 10.388 7.553 1.00 0.00 C ATOM 380 OG1 THR A 22 -6.599 11.075 8.591 1.00 0.00 O ATOM 381 CG2 THR A 22 -5.130 9.210 8.177 1.00 0.00 C ATOM 0 H THR A 22 -3.270 10.936 5.626 1.00 0.00 H new ATOM 0 HA THR A 22 -5.619 12.170 6.388 1.00 0.00 H new ATOM 0 HB THR A 22 -6.578 9.982 6.812 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.731 12.011 8.333 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.832 8.561 8.700 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.628 8.644 7.392 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.389 9.587 8.882 1.00 0.00 H new ATOM 389 N ILE A 23 -4.270 13.045 8.433 1.00 0.00 N ATOM 390 CA ILE A 23 -3.383 13.754 9.367 1.00 0.00 C ATOM 391 C ILE A 23 -3.000 12.846 10.559 1.00 0.00 C ATOM 392 O ILE A 23 -1.871 12.912 11.058 1.00 0.00 O ATOM 393 CB ILE A 23 -4.069 15.058 9.908 1.00 0.00 C ATOM 394 CG1 ILE A 23 -4.471 16.031 8.745 1.00 0.00 C ATOM 395 CG2 ILE A 23 -3.178 15.777 10.946 1.00 0.00 C ATOM 396 CD1 ILE A 23 -3.310 16.538 7.906 1.00 0.00 C ATOM 0 H ILE A 23 -5.206 13.446 8.382 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.480 14.026 8.820 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.986 14.750 10.410 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.177 15.520 8.091 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.994 16.887 9.171 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.684 16.676 11.299 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.991 15.111 11.788 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.230 16.052 10.483 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.686 17.203 7.128 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.612 17.082 8.542 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.798 15.693 7.445 1.00 0.00 H new ATOM 408 N GLU A 24 -3.968 12.010 10.995 1.00 0.00 N ATOM 409 CA GLU A 24 -3.777 11.018 12.081 1.00 0.00 C ATOM 410 C GLU A 24 -2.557 10.121 11.796 1.00 0.00 C ATOM 411 O GLU A 24 -1.744 9.816 12.687 1.00 0.00 O ATOM 412 CB GLU A 24 -5.052 10.150 12.222 1.00 0.00 C ATOM 413 CG GLU A 24 -4.999 9.092 13.341 1.00 0.00 C ATOM 414 CD GLU A 24 -6.258 8.215 13.385 1.00 0.00 C ATOM 415 OE1 GLU A 24 -7.276 8.650 13.948 1.00 0.00 O ATOM 416 OE2 GLU A 24 -6.250 7.100 12.827 1.00 0.00 O ATOM 0 H GLU A 24 -4.909 12.003 10.603 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.596 11.553 13.013 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.902 10.807 12.404 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.236 9.645 11.274 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.124 8.458 13.195 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.875 9.591 14.302 1.00 0.00 H new ATOM 423 N ASN A 25 -2.434 9.742 10.523 1.00 0.00 N ATOM 424 CA ASN A 25 -1.338 8.902 10.042 1.00 0.00 C ATOM 425 C ASN A 25 -0.031 9.692 10.043 1.00 0.00 C ATOM 426 O ASN A 25 0.984 9.202 10.526 1.00 0.00 O ATOM 427 CB ASN A 25 -1.657 8.406 8.626 1.00 0.00 C ATOM 428 CG ASN A 25 -0.673 7.360 8.105 1.00 0.00 C ATOM 429 OD1 ASN A 25 -0.813 6.169 8.375 1.00 0.00 O ATOM 430 ND2 ASN A 25 0.316 7.791 7.346 1.00 0.00 N ATOM 0 H ASN A 25 -3.095 10.011 9.794 1.00 0.00 H new ATOM 0 HA ASN A 25 -1.224 8.044 10.705 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.662 7.983 8.616 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.663 9.257 7.945 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.992 7.129 6.965 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.405 8.786 7.140 1.00 0.00 H new ATOM 437 N VAL A 26 -0.098 10.933 9.520 1.00 0.00 N ATOM 438 CA VAL A 26 1.080 11.830 9.377 1.00 0.00 C ATOM 439 C VAL A 26 1.792 12.027 10.729 1.00 0.00 C ATOM 440 O VAL A 26 3.000 11.834 10.829 1.00 0.00 O ATOM 441 CB VAL A 26 0.693 13.247 8.781 1.00 0.00 C ATOM 442 CG1 VAL A 26 1.934 14.166 8.605 1.00 0.00 C ATOM 443 CG2 VAL A 26 -0.064 13.096 7.449 1.00 0.00 C ATOM 0 H VAL A 26 -0.967 11.347 9.183 1.00 0.00 H new ATOM 0 HA VAL A 26 1.754 11.338 8.675 1.00 0.00 H new ATOM 0 HB VAL A 26 0.033 13.727 9.503 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.621 15.126 8.194 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.410 14.324 9.573 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.643 13.694 7.925 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.318 14.082 7.061 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.567 12.574 6.729 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.977 12.524 7.612 1.00 0.00 H new ATOM 453 N LYS A 27 1.007 12.362 11.767 1.00 0.00 N ATOM 454 CA LYS A 27 1.527 12.635 13.123 1.00 0.00 C ATOM 455 C LYS A 27 2.109 11.369 13.782 1.00 0.00 C ATOM 456 O LYS A 27 3.096 11.441 14.539 1.00 0.00 O ATOM 457 CB LYS A 27 0.427 13.275 14.001 1.00 0.00 C ATOM 458 CG LYS A 27 -0.850 12.446 14.202 1.00 0.00 C ATOM 459 CD LYS A 27 -1.917 13.204 15.022 1.00 0.00 C ATOM 460 CE LYS A 27 -2.449 14.458 14.311 1.00 0.00 C ATOM 461 NZ LYS A 27 -3.291 15.293 15.211 1.00 0.00 N ATOM 0 H LYS A 27 -0.006 12.452 11.692 1.00 0.00 H new ATOM 0 HA LYS A 27 2.349 13.345 13.030 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.853 13.490 14.981 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.148 14.231 13.558 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.264 12.179 13.230 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.600 11.514 14.709 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.750 12.532 15.232 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.490 13.492 15.983 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.611 15.051 13.945 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.033 14.161 13.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.290 15.199 14.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.169 14.975 16.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.003 16.289 15.131 1.00 0.00 H new ATOM 475 N ALA A 28 1.494 10.213 13.466 1.00 0.00 N ATOM 476 CA ALA A 28 2.022 8.889 13.844 1.00 0.00 C ATOM 477 C ALA A 28 3.402 8.630 13.195 1.00 0.00 C ATOM 478 O ALA A 28 4.239 7.914 13.758 1.00 0.00 O ATOM 479 CB ALA A 28 1.014 7.800 13.437 1.00 0.00 C ATOM 0 H ALA A 28 0.619 10.171 12.943 1.00 0.00 H new ATOM 0 HA ALA A 28 2.161 8.863 14.925 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.404 6.821 13.716 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.066 7.972 13.947 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.857 7.834 12.359 1.00 0.00 H new ATOM 485 N LYS A 29 3.622 9.224 12.003 1.00 0.00 N ATOM 486 CA LYS A 29 4.891 9.093 11.271 1.00 0.00 C ATOM 487 C LYS A 29 5.989 10.044 11.796 1.00 0.00 C ATOM 488 O LYS A 29 7.166 9.720 11.653 1.00 0.00 O ATOM 489 CB LYS A 29 4.686 9.273 9.747 1.00 0.00 C ATOM 490 CG LYS A 29 3.628 8.340 9.138 1.00 0.00 C ATOM 491 CD LYS A 29 3.824 6.852 9.508 1.00 0.00 C ATOM 492 CE LYS A 29 2.640 5.994 9.056 1.00 0.00 C ATOM 493 NZ LYS A 29 2.840 4.560 9.377 1.00 0.00 N ATOM 0 H LYS A 29 2.929 9.802 11.528 1.00 0.00 H new ATOM 0 HA LYS A 29 5.243 8.077 11.453 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.399 10.306 9.550 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.637 9.104 9.242 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.640 8.660 9.469 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.649 8.441 8.053 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.739 6.480 9.047 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.950 6.759 10.587 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.729 6.350 9.538 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.498 6.109 7.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.016 4.014 9.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.695 4.213 8.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.950 4.446 10.405 1.00 0.00 H new ATOM 507 N ILE A 30 5.635 11.223 12.378 1.00 0.00 N ATOM 508 CA ILE A 30 6.642 12.063 13.096 1.00 0.00 C ATOM 509 C ILE A 30 7.202 11.257 14.292 1.00 0.00 C ATOM 510 O ILE A 30 8.410 11.262 14.564 1.00 0.00 O ATOM 511 CB ILE A 30 6.078 13.469 13.585 1.00 0.00 C ATOM 512 CG1 ILE A 30 5.885 14.489 12.401 1.00 0.00 C ATOM 513 CG2 ILE A 30 6.967 14.116 14.687 1.00 0.00 C ATOM 514 CD1 ILE A 30 4.615 14.332 11.594 1.00 0.00 C ATOM 0 H ILE A 30 4.690 11.607 12.368 1.00 0.00 H new ATOM 0 HA ILE A 30 7.432 12.300 12.384 1.00 0.00 H new ATOM 0 HB ILE A 30 5.100 13.250 14.013 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.910 15.499 12.810 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.735 14.397 11.725 1.00 0.00 H new ATOM 0 HG21 ILE A 30 6.538 15.073 14.985 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.014 13.454 15.552 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.972 14.275 14.297 1.00 0.00 H new ATOM 0 HD11 ILE A 30 4.588 15.086 10.807 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.589 13.339 11.146 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.751 14.458 12.247 1.00 0.00 H new ATOM 526 N GLN A 31 6.289 10.539 14.963 1.00 0.00 N ATOM 527 CA GLN A 31 6.633 9.570 16.023 1.00 0.00 C ATOM 528 C GLN A 31 7.533 8.433 15.476 1.00 0.00 C ATOM 529 O GLN A 31 8.417 7.940 16.175 1.00 0.00 O ATOM 530 CB GLN A 31 5.318 9.004 16.615 1.00 0.00 C ATOM 531 CG GLN A 31 5.483 7.972 17.748 1.00 0.00 C ATOM 532 CD GLN A 31 4.149 7.399 18.253 1.00 0.00 C ATOM 533 OE1 GLN A 31 3.165 7.247 17.370 1.00 0.00 O flip ATOM 534 NE2 GLN A 31 4.008 7.073 19.428 1.00 0.00 N flip ATOM 0 H GLN A 31 5.287 10.612 14.788 1.00 0.00 H new ATOM 0 HA GLN A 31 7.202 10.073 16.805 1.00 0.00 H new ATOM 0 HB2 GLN A 31 4.723 9.836 16.991 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.748 8.543 15.809 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.111 7.154 17.395 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.007 8.440 18.581 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.776 7.198 20.088 1.00 0.00 H new ATOM 0 HE22 GLN A 31 3.123 6.677 19.745 1.00 0.00 H new ATOM 543 N ASP A 32 7.286 8.040 14.218 1.00 0.00 N ATOM 544 CA ASP A 32 8.084 7.017 13.503 1.00 0.00 C ATOM 545 C ASP A 32 9.496 7.536 13.130 1.00 0.00 C ATOM 546 O ASP A 32 10.439 6.738 13.020 1.00 0.00 O ATOM 547 CB ASP A 32 7.301 6.546 12.242 1.00 0.00 C ATOM 548 CG ASP A 32 8.065 5.558 11.341 1.00 0.00 C ATOM 549 OD1 ASP A 32 8.207 4.379 11.730 1.00 0.00 O ATOM 550 OD2 ASP A 32 8.533 5.958 10.248 1.00 0.00 O ATOM 0 H ASP A 32 6.523 8.422 13.659 1.00 0.00 H new ATOM 0 HA ASP A 32 8.237 6.168 14.170 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.370 6.078 12.563 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.031 7.421 11.651 1.00 0.00 H new ATOM 555 N LYS A 33 9.651 8.870 12.968 1.00 0.00 N ATOM 556 CA LYS A 33 10.930 9.473 12.526 1.00 0.00 C ATOM 557 C LYS A 33 11.778 9.935 13.727 1.00 0.00 C ATOM 558 O LYS A 33 12.797 9.304 14.040 1.00 0.00 O ATOM 559 CB LYS A 33 10.668 10.663 11.561 1.00 0.00 C ATOM 560 CG LYS A 33 9.957 10.281 10.245 1.00 0.00 C ATOM 561 CD LYS A 33 10.817 9.407 9.308 1.00 0.00 C ATOM 562 CE LYS A 33 10.024 8.894 8.088 1.00 0.00 C ATOM 563 NZ LYS A 33 10.847 8.014 7.220 1.00 0.00 N ATOM 0 H LYS A 33 8.908 9.548 13.136 1.00 0.00 H new ATOM 0 HA LYS A 33 11.492 8.705 11.993 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.066 11.409 12.080 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.621 11.134 11.320 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.036 9.748 10.481 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.672 11.192 9.718 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.675 9.984 8.963 1.00 0.00 H new ATOM 0 HD3 LYS A 33 11.209 8.557 9.867 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.146 8.347 8.430 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.664 9.743 7.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.282 7.705 6.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 11.681 8.538 6.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 11.155 7.182 7.762 1.00 0.00 H new ATOM 577 N GLU A 34 11.339 11.009 14.431 1.00 0.00 N ATOM 578 CA GLU A 34 12.134 11.606 15.532 1.00 0.00 C ATOM 579 C GLU A 34 11.924 10.855 16.864 1.00 0.00 C ATOM 580 O GLU A 34 12.793 10.895 17.746 1.00 0.00 O ATOM 581 CB GLU A 34 11.854 13.130 15.699 1.00 0.00 C ATOM 582 CG GLU A 34 10.399 13.531 16.041 1.00 0.00 C ATOM 583 CD GLU A 34 10.210 15.035 16.386 1.00 0.00 C ATOM 584 OE1 GLU A 34 11.070 15.875 16.024 1.00 0.00 O ATOM 585 OE2 GLU A 34 9.195 15.380 17.026 1.00 0.00 O ATOM 0 H GLU A 34 10.448 11.475 14.258 1.00 0.00 H new ATOM 0 HA GLU A 34 13.182 11.497 15.252 1.00 0.00 H new ATOM 0 HB2 GLU A 34 12.507 13.513 16.483 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.138 13.632 14.774 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.758 13.282 15.195 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.059 12.932 16.886 1.00 0.00 H new ATOM 592 N GLY A 35 10.768 10.173 16.996 1.00 0.00 N ATOM 593 CA GLY A 35 10.478 9.339 18.170 1.00 0.00 C ATOM 594 C GLY A 35 9.694 10.075 19.243 1.00 0.00 C ATOM 595 O GLY A 35 9.800 9.746 20.431 1.00 0.00 O ATOM 0 H GLY A 35 10.022 10.187 16.300 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.915 8.461 17.854 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.416 8.981 18.595 1.00 0.00 H new ATOM 599 N ILE A 36 8.912 11.091 18.831 1.00 0.00 N ATOM 600 CA ILE A 36 8.051 11.878 19.744 1.00 0.00 C ATOM 601 C ILE A 36 6.569 11.592 19.404 1.00 0.00 C ATOM 602 O ILE A 36 6.170 11.765 18.248 1.00 0.00 O ATOM 603 CB ILE A 36 8.370 13.436 19.676 1.00 0.00 C ATOM 604 CG1 ILE A 36 9.680 13.793 20.470 1.00 0.00 C ATOM 605 CG2 ILE A 36 7.185 14.302 20.183 1.00 0.00 C ATOM 606 CD1 ILE A 36 10.992 13.296 19.870 1.00 0.00 C ATOM 0 H ILE A 36 8.857 11.392 17.858 1.00 0.00 H new ATOM 0 HA ILE A 36 8.257 11.571 20.770 1.00 0.00 H new ATOM 0 HB ILE A 36 8.527 13.670 18.623 1.00 0.00 H new ATOM 0 HG12 ILE A 36 9.737 14.877 20.566 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.590 13.388 21.478 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.451 15.357 20.117 1.00 0.00 H new ATOM 0 HG22 ILE A 36 6.305 14.110 19.569 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.966 14.047 21.220 1.00 0.00 H new ATOM 0 HD11 ILE A 36 11.822 13.603 20.506 1.00 0.00 H new ATOM 0 HD12 ILE A 36 10.971 12.208 19.801 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.121 13.721 18.874 1.00 0.00 H new ATOM 618 N PRO A 37 5.731 11.168 20.409 1.00 0.00 N ATOM 619 CA PRO A 37 4.345 10.701 20.159 1.00 0.00 C ATOM 620 C PRO A 37 3.406 11.841 19.684 1.00 0.00 C ATOM 621 O PRO A 37 3.663 13.007 19.999 1.00 0.00 O ATOM 622 CB PRO A 37 3.913 10.137 21.540 1.00 0.00 C ATOM 623 CG PRO A 37 4.701 10.942 22.521 1.00 0.00 C ATOM 624 CD PRO A 37 6.051 11.155 21.869 1.00 0.00 C ATOM 0 HA PRO A 37 4.291 9.967 19.355 1.00 0.00 H new ATOM 0 HB2 PRO A 37 2.841 10.251 21.700 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.137 9.074 21.625 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.212 11.893 22.733 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.801 10.417 23.471 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.509 12.091 22.189 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.749 10.357 22.120 1.00 0.00 H new ATOM 632 N PRO A 38 2.284 11.506 18.948 1.00 0.00 N ATOM 633 CA PRO A 38 1.304 12.505 18.434 1.00 0.00 C ATOM 634 C PRO A 38 0.604 13.319 19.539 1.00 0.00 C ATOM 635 O PRO A 38 -0.101 14.294 19.249 1.00 0.00 O ATOM 636 CB PRO A 38 0.298 11.652 17.620 1.00 0.00 C ATOM 637 CG PRO A 38 0.441 10.269 18.164 1.00 0.00 C ATOM 638 CD PRO A 38 1.897 10.131 18.536 1.00 0.00 C ATOM 0 HA PRO A 38 1.799 13.272 17.839 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -0.721 12.021 17.740 1.00 0.00 H new ATOM 0 HB3 PRO A 38 0.525 11.683 16.554 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -0.202 10.120 19.032 1.00 0.00 H new ATOM 0 HG3 PRO A 38 0.153 9.524 17.422 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.038 9.415 19.346 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.495 9.781 17.694 1.00 0.00 H new ATOM 646 N ASP A 39 0.773 12.874 20.794 1.00 0.00 N ATOM 647 CA ASP A 39 0.316 13.615 21.980 1.00 0.00 C ATOM 648 C ASP A 39 1.246 14.820 22.252 1.00 0.00 C ATOM 649 O ASP A 39 0.781 15.921 22.536 1.00 0.00 O ATOM 650 CB ASP A 39 0.272 12.673 23.215 1.00 0.00 C ATOM 651 CG ASP A 39 -0.241 13.354 24.503 1.00 0.00 C ATOM 652 OD1 ASP A 39 -1.380 13.862 24.503 1.00 0.00 O ATOM 653 OD2 ASP A 39 0.483 13.385 25.519 1.00 0.00 O ATOM 0 H ASP A 39 1.231 11.990 21.015 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.690 13.991 21.793 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.368 11.820 22.987 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.273 12.281 23.397 1.00 0.00 H new ATOM 658 N GLN A 40 2.564 14.592 22.124 1.00 0.00 N ATOM 659 CA GLN A 40 3.614 15.588 22.468 1.00 0.00 C ATOM 660 C GLN A 40 3.981 16.496 21.284 1.00 0.00 C ATOM 661 O GLN A 40 4.709 17.466 21.453 1.00 0.00 O ATOM 662 CB GLN A 40 4.879 14.855 23.006 1.00 0.00 C ATOM 663 CG GLN A 40 4.987 14.762 24.541 1.00 0.00 C ATOM 664 CD GLN A 40 3.704 14.299 25.227 1.00 0.00 C ATOM 665 OE1 GLN A 40 2.892 15.116 25.650 1.00 0.00 O ATOM 666 NE2 GLN A 40 3.501 12.998 25.325 1.00 0.00 N ATOM 0 H GLN A 40 2.941 13.710 21.778 1.00 0.00 H new ATOM 0 HA GLN A 40 3.206 16.237 23.243 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.895 13.845 22.596 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.763 15.367 22.627 1.00 0.00 H new ATOM 0 HG2 GLN A 40 5.793 14.074 24.797 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.265 15.739 24.935 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.196 12.345 24.963 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.649 12.646 25.762 1.00 0.00 H new ATOM 675 N GLN A 41 3.541 16.134 20.096 1.00 0.00 N ATOM 676 CA GLN A 41 3.686 16.972 18.895 1.00 0.00 C ATOM 677 C GLN A 41 2.297 17.413 18.390 1.00 0.00 C ATOM 678 O GLN A 41 1.300 16.738 18.662 1.00 0.00 O ATOM 679 CB GLN A 41 4.523 16.199 17.841 1.00 0.00 C ATOM 680 CG GLN A 41 3.983 14.829 17.386 1.00 0.00 C ATOM 681 CD GLN A 41 3.007 14.899 16.209 1.00 0.00 C ATOM 682 OE1 GLN A 41 3.539 14.915 15.010 1.00 0.00 O flip ATOM 683 NE2 GLN A 41 1.795 14.978 16.381 1.00 0.00 N flip ATOM 0 H GLN A 41 3.068 15.247 19.922 1.00 0.00 H new ATOM 0 HA GLN A 41 4.227 17.891 19.119 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.626 16.832 16.960 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.524 16.051 18.246 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.824 14.193 17.109 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.485 14.349 18.229 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.412 14.963 17.326 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.170 15.059 15.579 1.00 0.00 H new ATOM 692 N ARG A 42 2.226 18.577 17.702 1.00 0.00 N ATOM 693 CA ARG A 42 0.958 19.132 17.182 1.00 0.00 C ATOM 694 C ARG A 42 1.150 19.646 15.745 1.00 0.00 C ATOM 695 O ARG A 42 2.115 20.350 15.458 1.00 0.00 O ATOM 696 CB ARG A 42 0.471 20.273 18.116 1.00 0.00 C ATOM 697 CG ARG A 42 -1.036 20.597 18.021 1.00 0.00 C ATOM 698 CD ARG A 42 -1.486 21.542 19.144 1.00 0.00 C ATOM 699 NE ARG A 42 -2.956 21.643 19.238 1.00 0.00 N ATOM 700 CZ ARG A 42 -3.642 22.149 20.282 1.00 0.00 C ATOM 701 NH1 ARG A 42 -3.017 22.711 21.319 1.00 0.00 N ATOM 702 NH2 ARG A 42 -4.965 22.106 20.272 1.00 0.00 N ATOM 0 H ARG A 42 3.042 19.153 17.494 1.00 0.00 H new ATOM 0 HA ARG A 42 0.202 18.348 17.161 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.705 20.004 19.146 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.036 21.176 17.886 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.250 21.053 17.054 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.611 19.672 18.071 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -1.087 21.188 20.095 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.067 22.533 18.971 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.499 21.301 18.445 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.998 22.764 21.333 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.558 23.087 22.098 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.456 21.693 19.479 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.494 22.486 21.057 1.00 0.00 H new ATOM 716 N LEU A 43 0.203 19.307 14.862 1.00 0.00 N ATOM 717 CA LEU A 43 0.283 19.599 13.416 1.00 0.00 C ATOM 718 C LEU A 43 -0.442 20.906 13.094 1.00 0.00 C ATOM 719 O LEU A 43 -1.621 21.049 13.422 1.00 0.00 O ATOM 720 CB LEU A 43 -0.337 18.418 12.599 1.00 0.00 C ATOM 721 CG LEU A 43 0.619 17.254 12.226 1.00 0.00 C ATOM 722 CD1 LEU A 43 1.719 17.737 11.264 1.00 0.00 C ATOM 723 CD2 LEU A 43 1.214 16.611 13.480 1.00 0.00 C ATOM 0 H LEU A 43 -0.651 18.817 15.129 1.00 0.00 H new ATOM 0 HA LEU A 43 1.331 19.710 13.137 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.168 18.006 13.172 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.755 18.824 11.678 1.00 0.00 H new ATOM 0 HG LEU A 43 0.040 16.489 11.709 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.377 16.904 11.016 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.262 18.122 10.352 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.298 18.528 11.741 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.880 15.798 13.191 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.775 17.358 14.041 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.411 16.218 14.103 1.00 0.00 H new ATOM 735 N ILE A 44 0.286 21.866 12.474 1.00 0.00 N ATOM 736 CA ILE A 44 -0.257 23.178 12.055 1.00 0.00 C ATOM 737 C ILE A 44 0.373 23.603 10.708 1.00 0.00 C ATOM 738 O ILE A 44 1.597 23.637 10.578 1.00 0.00 O ATOM 739 CB ILE A 44 -0.007 24.283 13.162 1.00 0.00 C ATOM 740 CG1 ILE A 44 -0.799 23.930 14.465 1.00 0.00 C ATOM 741 CG2 ILE A 44 -0.375 25.709 12.663 1.00 0.00 C ATOM 742 CD1 ILE A 44 -0.458 24.753 15.673 1.00 0.00 C ATOM 0 H ILE A 44 1.274 21.749 12.250 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.335 23.078 11.927 1.00 0.00 H new ATOM 0 HB ILE A 44 1.060 24.290 13.384 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.864 24.039 14.262 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.625 22.880 14.702 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.187 26.432 13.457 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.233 25.958 11.793 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.430 25.738 12.389 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.063 24.426 16.519 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.598 24.627 15.913 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.661 25.804 15.466 1.00 0.00 H new ATOM 754 N PHE A 45 -0.478 23.928 9.722 1.00 0.00 N ATOM 755 CA PHE A 45 -0.063 24.454 8.403 1.00 0.00 C ATOM 756 C PHE A 45 -0.727 25.818 8.181 1.00 0.00 C ATOM 757 O PHE A 45 -1.938 25.922 8.298 1.00 0.00 O ATOM 758 CB PHE A 45 -0.479 23.465 7.277 1.00 0.00 C ATOM 759 CG PHE A 45 -0.245 23.966 5.840 1.00 0.00 C ATOM 760 CD1 PHE A 45 1.032 23.950 5.274 1.00 0.00 C ATOM 761 CD2 PHE A 45 -1.305 24.434 5.053 1.00 0.00 C ATOM 762 CE1 PHE A 45 1.243 24.385 3.978 1.00 0.00 C ATOM 763 CE2 PHE A 45 -1.091 24.872 3.760 1.00 0.00 C ATOM 764 CZ PHE A 45 0.182 24.844 3.221 1.00 0.00 C ATOM 0 H PHE A 45 -1.489 23.833 9.816 1.00 0.00 H new ATOM 0 HA PHE A 45 1.021 24.566 8.378 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.071 22.534 7.413 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.537 23.231 7.395 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.868 23.592 5.857 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.304 24.453 5.463 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.238 24.366 3.558 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.919 25.237 3.170 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.347 25.181 2.208 1.00 0.00 H new ATOM 774 N ALA A 46 0.079 26.855 7.901 1.00 0.00 N ATOM 775 CA ALA A 46 -0.407 28.218 7.548 1.00 0.00 C ATOM 776 C ALA A 46 -1.257 28.869 8.674 1.00 0.00 C ATOM 777 O ALA A 46 -1.976 29.844 8.427 1.00 0.00 O ATOM 778 CB ALA A 46 -1.183 28.190 6.206 1.00 0.00 C ATOM 0 H ALA A 46 1.096 26.780 7.911 1.00 0.00 H new ATOM 0 HA ALA A 46 0.475 28.847 7.430 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.530 29.195 5.965 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.526 27.833 5.413 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.040 27.522 6.295 1.00 0.00 H new ATOM 784 N GLY A 47 -1.142 28.336 9.910 1.00 0.00 N ATOM 785 CA GLY A 47 -1.865 28.858 11.076 1.00 0.00 C ATOM 786 C GLY A 47 -3.119 28.060 11.435 1.00 0.00 C ATOM 787 O GLY A 47 -3.745 28.321 12.469 1.00 0.00 O ATOM 0 H GLY A 47 -0.546 27.535 10.120 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.193 28.866 11.934 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.148 29.893 10.883 1.00 0.00 H new ATOM 791 N LYS A 48 -3.497 27.092 10.586 1.00 0.00 N ATOM 792 CA LYS A 48 -4.653 26.205 10.835 1.00 0.00 C ATOM 793 C LYS A 48 -4.137 24.899 11.487 1.00 0.00 C ATOM 794 O LYS A 48 -3.099 24.366 11.068 1.00 0.00 O ATOM 795 CB LYS A 48 -5.426 25.929 9.489 1.00 0.00 C ATOM 796 CG LYS A 48 -4.803 24.845 8.561 1.00 0.00 C ATOM 797 CD LYS A 48 -5.221 24.941 7.072 1.00 0.00 C ATOM 798 CE LYS A 48 -4.595 26.124 6.324 1.00 0.00 C ATOM 799 NZ LYS A 48 -4.796 26.001 4.855 1.00 0.00 N ATOM 0 H LYS A 48 -3.014 26.899 9.709 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.361 26.679 11.515 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.446 25.630 9.732 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.492 26.863 8.932 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.717 24.915 8.623 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.081 23.861 8.939 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.942 24.016 6.567 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.307 25.021 7.014 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.037 27.056 6.677 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.529 26.174 6.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.136 26.634 4.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.619 25.019 4.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.773 26.264 4.615 1.00 0.00 H new ATOM 813 N GLN A 49 -4.822 24.415 12.547 1.00 0.00 N ATOM 814 CA GLN A 49 -4.510 23.100 13.144 1.00 0.00 C ATOM 815 C GLN A 49 -5.011 21.994 12.216 1.00 0.00 C ATOM 816 O GLN A 49 -6.108 22.083 11.652 1.00 0.00 O ATOM 817 CB GLN A 49 -5.149 22.900 14.548 1.00 0.00 C ATOM 818 CG GLN A 49 -4.917 21.479 15.143 1.00 0.00 C ATOM 819 CD GLN A 49 -5.785 21.152 16.356 1.00 0.00 C ATOM 820 OE1 GLN A 49 -5.367 21.305 17.504 1.00 0.00 O ATOM 821 NE2 GLN A 49 -7.019 20.731 16.106 1.00 0.00 N ATOM 0 H GLN A 49 -5.588 24.911 13.002 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.428 23.057 13.268 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.740 23.643 15.233 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.221 23.085 14.480 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.106 20.738 14.366 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.869 21.384 15.426 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.333 20.615 15.142 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.653 20.523 16.877 1.00 0.00 H new ATOM 830 N LEU A 50 -4.202 20.947 12.072 1.00 0.00 N ATOM 831 CA LEU A 50 -4.538 19.809 11.246 1.00 0.00 C ATOM 832 C LEU A 50 -5.243 18.732 12.098 1.00 0.00 C ATOM 833 O LEU A 50 -4.627 18.108 12.972 1.00 0.00 O ATOM 834 CB LEU A 50 -3.269 19.271 10.566 1.00 0.00 C ATOM 835 CG LEU A 50 -2.335 20.324 9.888 1.00 0.00 C ATOM 836 CD1 LEU A 50 -1.207 19.624 9.125 1.00 0.00 C ATOM 837 CD2 LEU A 50 -3.111 21.314 8.989 1.00 0.00 C ATOM 0 H LEU A 50 -3.294 20.872 12.530 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.232 20.110 10.461 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.687 18.730 11.312 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.570 18.546 9.810 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.890 20.926 10.680 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.565 20.371 8.658 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.619 19.022 9.817 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.633 18.980 8.356 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.414 22.023 8.543 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.624 20.764 8.200 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.843 21.854 9.590 1.00 0.00 H new ATOM 849 N GLU A 51 -6.551 18.556 11.838 1.00 0.00 N ATOM 850 CA GLU A 51 -7.413 17.593 12.540 1.00 0.00 C ATOM 851 C GLU A 51 -7.119 16.160 12.065 1.00 0.00 C ATOM 852 O GLU A 51 -6.975 15.930 10.860 1.00 0.00 O ATOM 853 CB GLU A 51 -8.897 17.959 12.276 1.00 0.00 C ATOM 854 CG GLU A 51 -9.937 16.971 12.843 1.00 0.00 C ATOM 855 CD GLU A 51 -11.380 17.375 12.518 1.00 0.00 C ATOM 856 OE1 GLU A 51 -11.979 18.166 13.281 1.00 0.00 O ATOM 857 OE2 GLU A 51 -11.915 16.927 11.487 1.00 0.00 O ATOM 0 H GLU A 51 -7.045 19.089 11.122 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.212 17.639 13.610 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.090 18.945 12.699 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.047 18.039 11.199 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.744 15.977 12.441 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.818 16.906 13.924 1.00 0.00 H new ATOM 864 N ASP A 52 -7.105 15.215 13.028 1.00 0.00 N ATOM 865 CA ASP A 52 -6.769 13.791 12.806 1.00 0.00 C ATOM 866 C ASP A 52 -7.612 13.159 11.688 1.00 0.00 C ATOM 867 O ASP A 52 -7.069 12.488 10.809 1.00 0.00 O ATOM 868 CB ASP A 52 -6.980 12.978 14.112 1.00 0.00 C ATOM 869 CG ASP A 52 -5.990 13.327 15.228 1.00 0.00 C ATOM 870 OD1 ASP A 52 -6.055 14.456 15.761 1.00 0.00 O ATOM 871 OD2 ASP A 52 -5.127 12.487 15.570 1.00 0.00 O ATOM 0 H ASP A 52 -7.331 15.423 14.001 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.722 13.760 12.504 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.994 13.147 14.474 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.896 11.915 13.884 1.00 0.00 H new ATOM 876 N GLY A 53 -8.935 13.400 11.745 1.00 0.00 N ATOM 877 CA GLY A 53 -9.892 12.790 10.816 1.00 0.00 C ATOM 878 C GLY A 53 -9.743 13.263 9.369 1.00 0.00 C ATOM 879 O GLY A 53 -10.096 12.533 8.430 1.00 0.00 O ATOM 0 H GLY A 53 -9.364 14.019 12.433 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.773 11.707 10.847 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.904 13.010 11.157 1.00 0.00 H new ATOM 883 N ARG A 54 -9.208 14.482 9.187 1.00 0.00 N ATOM 884 CA ARG A 54 -9.029 15.099 7.855 1.00 0.00 C ATOM 885 C ARG A 54 -7.738 14.621 7.174 1.00 0.00 C ATOM 886 O ARG A 54 -6.965 13.865 7.755 1.00 0.00 O ATOM 887 CB ARG A 54 -9.034 16.637 7.988 1.00 0.00 C ATOM 888 CG ARG A 54 -10.372 17.219 8.504 1.00 0.00 C ATOM 889 CD ARG A 54 -10.389 18.743 8.420 1.00 0.00 C ATOM 890 NE ARG A 54 -11.650 19.370 8.841 1.00 0.00 N ATOM 891 CZ ARG A 54 -12.084 20.566 8.394 1.00 0.00 C ATOM 892 NH1 ARG A 54 -11.483 21.177 7.372 1.00 0.00 N ATOM 893 NH2 ARG A 54 -13.143 21.131 8.945 1.00 0.00 N ATOM 0 H ARG A 54 -8.887 15.070 9.956 1.00 0.00 H new ATOM 0 HA ARG A 54 -9.861 14.788 7.224 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -8.234 16.936 8.666 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.809 17.076 7.016 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -11.197 16.812 7.919 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -10.531 16.909 9.537 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -9.581 19.136 9.037 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.178 19.038 7.392 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.233 18.870 9.512 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -10.682 20.740 6.916 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -11.824 22.081 7.046 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -13.632 20.663 9.708 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -13.472 22.036 8.608 1.00 0.00 H new ATOM 907 N THR A 55 -7.528 15.070 5.925 1.00 0.00 N ATOM 908 CA THR A 55 -6.340 14.720 5.119 1.00 0.00 C ATOM 909 C THR A 55 -5.438 15.946 4.926 1.00 0.00 C ATOM 910 O THR A 55 -5.858 17.080 5.192 1.00 0.00 O ATOM 911 CB THR A 55 -6.752 14.161 3.716 1.00 0.00 C ATOM 912 OG1 THR A 55 -7.578 15.118 3.029 1.00 0.00 O ATOM 913 CG2 THR A 55 -7.493 12.822 3.820 1.00 0.00 C ATOM 0 H THR A 55 -8.179 15.689 5.442 1.00 0.00 H new ATOM 0 HA THR A 55 -5.795 13.948 5.661 1.00 0.00 H new ATOM 0 HB THR A 55 -5.834 13.988 3.154 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.830 14.762 2.151 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.758 12.474 2.822 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.849 12.086 4.301 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.399 12.953 4.411 1.00 0.00 H new ATOM 921 N LEU A 56 -4.200 15.705 4.444 1.00 0.00 N ATOM 922 CA LEU A 56 -3.269 16.788 4.068 1.00 0.00 C ATOM 923 C LEU A 56 -3.931 17.678 2.993 1.00 0.00 C ATOM 924 O LEU A 56 -4.045 18.898 3.158 1.00 0.00 O ATOM 925 CB LEU A 56 -1.925 16.206 3.530 1.00 0.00 C ATOM 926 CG LEU A 56 -1.000 15.478 4.559 1.00 0.00 C ATOM 927 CD1 LEU A 56 0.179 14.774 3.847 1.00 0.00 C ATOM 928 CD2 LEU A 56 -0.473 16.457 5.637 1.00 0.00 C ATOM 0 H LEU A 56 -3.823 14.767 4.306 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.047 17.385 4.953 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.157 15.504 2.729 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.357 17.023 3.084 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.603 14.719 5.058 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.806 14.276 4.587 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.208 14.036 3.144 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.772 15.513 3.308 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.167 15.918 6.336 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.100 17.251 5.158 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.315 16.892 6.176 1.00 0.00 H new ATOM 940 N SER A 57 -4.430 17.011 1.935 1.00 0.00 N ATOM 941 CA SER A 57 -5.063 17.645 0.766 1.00 0.00 C ATOM 942 C SER A 57 -6.269 18.520 1.173 1.00 0.00 C ATOM 943 O SER A 57 -6.548 19.535 0.524 1.00 0.00 O ATOM 944 CB SER A 57 -5.506 16.550 -0.236 1.00 0.00 C ATOM 945 OG SER A 57 -6.079 17.110 -1.409 1.00 0.00 O ATOM 0 H SER A 57 -4.403 15.993 1.869 1.00 0.00 H new ATOM 0 HA SER A 57 -4.331 18.301 0.295 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.647 15.937 -0.508 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.230 15.890 0.243 1.00 0.00 H new ATOM 0 HG SER A 57 -6.345 16.390 -2.019 1.00 0.00 H new ATOM 951 N ASP A 58 -6.946 18.133 2.279 1.00 0.00 N ATOM 952 CA ASP A 58 -8.106 18.872 2.822 1.00 0.00 C ATOM 953 C ASP A 58 -7.676 20.290 3.214 1.00 0.00 C ATOM 954 O ASP A 58 -8.307 21.288 2.844 1.00 0.00 O ATOM 955 CB ASP A 58 -8.660 18.126 4.066 1.00 0.00 C ATOM 956 CG ASP A 58 -9.892 18.793 4.705 1.00 0.00 C ATOM 957 OD1 ASP A 58 -9.737 19.807 5.420 1.00 0.00 O ATOM 958 OD2 ASP A 58 -11.019 18.297 4.504 1.00 0.00 O ATOM 0 H ASP A 58 -6.703 17.302 2.818 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.886 18.933 2.063 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.920 17.107 3.779 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.871 18.054 4.814 1.00 0.00 H new ATOM 963 N TYR A 59 -6.561 20.344 3.948 1.00 0.00 N ATOM 964 CA TYR A 59 -6.031 21.576 4.530 1.00 0.00 C ATOM 965 C TYR A 59 -5.097 22.343 3.556 1.00 0.00 C ATOM 966 O TYR A 59 -4.315 23.196 4.004 1.00 0.00 O ATOM 967 CB TYR A 59 -5.288 21.234 5.840 1.00 0.00 C ATOM 968 CG TYR A 59 -6.206 21.028 7.046 1.00 0.00 C ATOM 969 CD1 TYR A 59 -7.005 22.075 7.509 1.00 0.00 C ATOM 970 CD2 TYR A 59 -6.250 19.826 7.743 1.00 0.00 C ATOM 971 CE1 TYR A 59 -7.807 21.939 8.609 1.00 0.00 C ATOM 972 CE2 TYR A 59 -7.047 19.693 8.852 1.00 0.00 C ATOM 973 CZ TYR A 59 -7.821 20.757 9.283 1.00 0.00 C ATOM 974 OH TYR A 59 -8.612 20.625 10.400 1.00 0.00 O ATOM 0 H TYR A 59 -5.995 19.521 4.156 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.870 22.240 4.737 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.701 20.329 5.686 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.585 22.036 6.066 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.990 23.019 6.984 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.652 18.991 7.409 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -8.423 22.762 8.939 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -7.071 18.757 9.390 1.00 0.00 H new ATOM 0 HH TYR A 59 -8.145 20.996 11.177 1.00 0.00 H new ATOM 984 N ASN A 60 -5.197 22.035 2.238 1.00 0.00 N ATOM 985 CA ASN A 60 -4.422 22.710 1.155 1.00 0.00 C ATOM 986 C ASN A 60 -2.930 22.307 1.180 1.00 0.00 C ATOM 987 O ASN A 60 -2.075 23.003 0.619 1.00 0.00 O ATOM 988 CB ASN A 60 -4.589 24.273 1.179 1.00 0.00 C ATOM 989 CG ASN A 60 -6.015 24.787 0.890 1.00 0.00 C ATOM 990 OD1 ASN A 60 -7.045 24.106 1.390 1.00 0.00 O flip ATOM 991 ND2 ASN A 60 -6.185 25.833 0.262 1.00 0.00 N flip ATOM 0 H ASN A 60 -5.821 21.307 1.890 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.845 22.360 0.213 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.279 24.640 2.157 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.909 24.706 0.446 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.383 26.339 -0.113 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.128 26.193 0.117 1.00 0.00 H new ATOM 998 N ILE A 61 -2.645 21.145 1.789 1.00 0.00 N ATOM 999 CA ILE A 61 -1.282 20.592 1.898 1.00 0.00 C ATOM 1000 C ILE A 61 -1.092 19.535 0.806 1.00 0.00 C ATOM 1001 O ILE A 61 -1.814 18.530 0.767 1.00 0.00 O ATOM 1002 CB ILE A 61 -1.049 19.919 3.298 1.00 0.00 C ATOM 1003 CG1 ILE A 61 -1.567 20.830 4.445 1.00 0.00 C ATOM 1004 CG2 ILE A 61 0.437 19.528 3.524 1.00 0.00 C ATOM 1005 CD1 ILE A 61 -1.828 20.097 5.743 1.00 0.00 C ATOM 0 H ILE A 61 -3.357 20.558 2.223 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.568 21.407 1.784 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.625 18.994 3.307 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.837 21.619 4.626 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.488 21.315 4.122 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.547 19.067 4.505 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.749 18.822 2.754 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.060 20.421 3.471 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.187 20.802 6.493 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.581 19.326 5.580 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.905 19.635 6.092 1.00 0.00 H new ATOM 1017 N GLN A 62 -0.139 19.771 -0.081 1.00 0.00 N ATOM 1018 CA GLN A 62 0.245 18.808 -1.114 1.00 0.00 C ATOM 1019 C GLN A 62 1.510 18.068 -0.672 1.00 0.00 C ATOM 1020 O GLN A 62 2.047 18.312 0.427 1.00 0.00 O ATOM 1021 CB GLN A 62 0.470 19.524 -2.476 1.00 0.00 C ATOM 1022 CG GLN A 62 1.617 20.560 -2.480 1.00 0.00 C ATOM 1023 CD GLN A 62 2.026 20.998 -3.880 1.00 0.00 C ATOM 1024 OE1 GLN A 62 1.483 21.954 -4.431 1.00 0.00 O ATOM 1025 NE2 GLN A 62 2.993 20.298 -4.460 1.00 0.00 N ATOM 0 H GLN A 62 0.396 20.639 -0.109 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.561 18.086 -1.249 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.676 18.771 -3.237 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.454 20.024 -2.765 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.309 21.435 -1.908 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.483 20.136 -1.972 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.418 19.511 -3.969 1.00 0.00 H new ATOM 0 HE22 GLN A 62 3.311 20.547 -5.397 1.00 0.00 H new ATOM 1034 N LYS A 63 1.986 17.156 -1.528 1.00 0.00 N ATOM 1035 CA LYS A 63 3.287 16.528 -1.329 1.00 0.00 C ATOM 1036 C LYS A 63 4.392 17.596 -1.398 1.00 0.00 C ATOM 1037 O LYS A 63 4.315 18.546 -2.190 1.00 0.00 O ATOM 1038 CB LYS A 63 3.547 15.405 -2.354 1.00 0.00 C ATOM 1039 CG LYS A 63 3.506 15.827 -3.835 1.00 0.00 C ATOM 1040 CD LYS A 63 3.744 14.617 -4.758 1.00 0.00 C ATOM 1041 CE LYS A 63 5.075 13.897 -4.456 1.00 0.00 C ATOM 1042 NZ LYS A 63 6.248 14.582 -5.058 1.00 0.00 N ATOM 0 H LYS A 63 1.488 16.841 -2.361 1.00 0.00 H new ATOM 0 HA LYS A 63 3.293 16.065 -0.342 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.524 14.969 -2.147 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.808 14.619 -2.199 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.540 16.278 -4.062 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.265 16.587 -4.022 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.920 13.912 -4.648 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.742 14.950 -5.796 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.212 13.833 -3.377 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.024 12.875 -4.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.976 13.879 -5.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.953 15.082 -5.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.638 15.266 -4.378 1.00 0.00 H new ATOM 1056 N GLU A 64 5.376 17.431 -0.520 1.00 0.00 N ATOM 1057 CA GLU A 64 6.541 18.321 -0.374 1.00 0.00 C ATOM 1058 C GLU A 64 6.151 19.740 0.082 1.00 0.00 C ATOM 1059 O GLU A 64 6.906 20.688 -0.137 1.00 0.00 O ATOM 1060 CB GLU A 64 7.409 18.316 -1.673 1.00 0.00 C ATOM 1061 CG GLU A 64 7.946 16.918 -2.049 1.00 0.00 C ATOM 1062 CD GLU A 64 8.754 16.906 -3.352 1.00 0.00 C ATOM 1063 OE1 GLU A 64 9.970 17.183 -3.315 1.00 0.00 O ATOM 1064 OE2 GLU A 64 8.181 16.618 -4.422 1.00 0.00 O ATOM 0 H GLU A 64 5.392 16.650 0.136 1.00 0.00 H new ATOM 0 HA GLU A 64 7.160 17.923 0.430 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.813 18.702 -2.500 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.250 18.996 -1.541 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.573 16.548 -1.238 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.107 16.228 -2.144 1.00 0.00 H new ATOM 1071 N SER A 65 4.977 19.876 0.743 1.00 0.00 N ATOM 1072 CA SER A 65 4.639 21.103 1.483 1.00 0.00 C ATOM 1073 C SER A 65 5.418 21.156 2.812 1.00 0.00 C ATOM 1074 O SER A 65 5.615 20.120 3.464 1.00 0.00 O ATOM 1075 CB SER A 65 3.129 21.169 1.783 1.00 0.00 C ATOM 1076 OG SER A 65 2.356 21.142 0.601 1.00 0.00 O ATOM 0 H SER A 65 4.257 19.154 0.776 1.00 0.00 H new ATOM 0 HA SER A 65 4.915 21.954 0.860 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.848 20.330 2.420 1.00 0.00 H new ATOM 0 HB3 SER A 65 2.909 22.080 2.340 1.00 0.00 H new ATOM 0 HG SER A 65 2.265 20.217 0.291 1.00 0.00 H new ATOM 1082 N THR A 66 5.864 22.362 3.199 1.00 0.00 N ATOM 1083 CA THR A 66 6.477 22.603 4.508 1.00 0.00 C ATOM 1084 C THR A 66 5.448 23.255 5.442 1.00 0.00 C ATOM 1085 O THR A 66 4.848 24.285 5.111 1.00 0.00 O ATOM 1086 CB THR A 66 7.759 23.485 4.414 1.00 0.00 C ATOM 1087 OG1 THR A 66 8.695 22.872 3.514 1.00 0.00 O ATOM 1088 CG2 THR A 66 8.441 23.679 5.787 1.00 0.00 C ATOM 0 H THR A 66 5.808 23.194 2.612 1.00 0.00 H new ATOM 0 HA THR A 66 6.788 21.639 4.911 1.00 0.00 H new ATOM 0 HB THR A 66 7.453 24.466 4.050 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.501 23.426 3.453 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.329 24.300 5.668 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.747 24.166 6.472 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.729 22.708 6.191 1.00 0.00 H new ATOM 1096 N LEU A 67 5.258 22.629 6.599 1.00 0.00 N ATOM 1097 CA LEU A 67 4.335 23.065 7.647 1.00 0.00 C ATOM 1098 C LEU A 67 5.075 23.068 8.990 1.00 0.00 C ATOM 1099 O LEU A 67 6.229 22.644 9.070 1.00 0.00 O ATOM 1100 CB LEU A 67 3.075 22.151 7.702 1.00 0.00 C ATOM 1101 CG LEU A 67 3.312 20.602 7.751 1.00 0.00 C ATOM 1102 CD1 LEU A 67 2.117 19.880 8.385 1.00 0.00 C ATOM 1103 CD2 LEU A 67 3.596 20.005 6.345 1.00 0.00 C ATOM 0 H LEU A 67 5.759 21.775 6.843 1.00 0.00 H new ATOM 0 HA LEU A 67 3.987 24.074 7.424 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.493 22.431 8.580 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.460 22.371 6.829 1.00 0.00 H new ATOM 0 HG LEU A 67 4.196 20.445 8.369 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.309 18.807 8.406 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.971 20.242 9.403 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.220 20.077 7.798 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.753 18.930 6.431 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.746 20.196 5.690 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.488 20.470 5.926 1.00 0.00 H new ATOM 1115 N HIS A 68 4.413 23.574 10.036 1.00 0.00 N ATOM 1116 CA HIS A 68 5.000 23.682 11.383 1.00 0.00 C ATOM 1117 C HIS A 68 4.523 22.548 12.304 1.00 0.00 C ATOM 1118 O HIS A 68 3.417 22.009 12.156 1.00 0.00 O ATOM 1119 CB HIS A 68 4.685 25.067 11.995 1.00 0.00 C ATOM 1120 CG HIS A 68 5.344 26.208 11.251 1.00 0.00 C ATOM 1121 ND1 HIS A 68 4.673 27.338 10.846 1.00 0.00 N ATOM 1122 CD2 HIS A 68 6.632 26.384 10.853 1.00 0.00 C ATOM 1123 CE1 HIS A 68 5.508 28.151 10.231 1.00 0.00 C ATOM 1124 NE2 HIS A 68 6.704 27.599 10.224 1.00 0.00 N ATOM 0 H HIS A 68 3.456 23.921 9.976 1.00 0.00 H new ATOM 0 HA HIS A 68 6.081 23.582 11.287 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.606 25.219 11.999 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.013 25.081 13.034 1.00 0.00 H new ATOM 0 HD2 HIS A 68 7.448 25.693 11.005 1.00 0.00 H new ATOM 0 HE1 HIS A 68 5.254 29.110 9.804 1.00 0.00 H new ATOM 0 HE2 HIS A 68 7.545 28.009 9.817 1.00 0.00 H new ATOM 1133 N LEU A 69 5.398 22.208 13.257 1.00 0.00 N ATOM 1134 CA LEU A 69 5.187 21.150 14.242 1.00 0.00 C ATOM 1135 C LEU A 69 5.491 21.748 15.615 1.00 0.00 C ATOM 1136 O LEU A 69 6.585 22.272 15.846 1.00 0.00 O ATOM 1137 CB LEU A 69 6.129 19.950 13.905 1.00 0.00 C ATOM 1138 CG LEU A 69 5.899 18.580 14.637 1.00 0.00 C ATOM 1139 CD1 LEU A 69 6.338 18.611 16.109 1.00 0.00 C ATOM 1140 CD2 LEU A 69 4.437 18.112 14.497 1.00 0.00 C ATOM 0 H LEU A 69 6.297 22.677 13.364 1.00 0.00 H new ATOM 0 HA LEU A 69 4.164 20.774 14.233 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.060 19.767 12.833 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.152 20.266 14.109 1.00 0.00 H new ATOM 0 HG LEU A 69 6.538 17.850 14.140 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.155 17.637 16.564 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.401 18.845 16.167 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.769 19.373 16.642 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.308 17.161 15.014 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.773 18.856 14.936 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.194 17.987 13.442 1.00 0.00 H new ATOM 1152 N VAL A 70 4.517 21.669 16.516 1.00 0.00 N ATOM 1153 CA VAL A 70 4.638 22.187 17.875 1.00 0.00 C ATOM 1154 C VAL A 70 4.981 21.061 18.848 1.00 0.00 C ATOM 1155 O VAL A 70 4.168 20.162 19.082 1.00 0.00 O ATOM 1156 CB VAL A 70 3.323 22.914 18.319 1.00 0.00 C ATOM 1157 CG1 VAL A 70 3.414 23.405 19.790 1.00 0.00 C ATOM 1158 CG2 VAL A 70 3.006 24.072 17.336 1.00 0.00 C ATOM 0 H VAL A 70 3.612 21.239 16.322 1.00 0.00 H new ATOM 0 HA VAL A 70 5.448 22.916 17.887 1.00 0.00 H new ATOM 0 HB VAL A 70 2.498 22.202 18.283 1.00 0.00 H new ATOM 0 HG11 VAL A 70 2.485 23.905 20.065 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.576 22.552 20.449 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.245 24.103 19.890 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.091 24.575 17.649 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.830 24.785 17.336 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.874 23.671 16.331 1.00 0.00 H new ATOM 1168 N LEU A 71 6.198 21.124 19.385 1.00 0.00 N ATOM 1169 CA LEU A 71 6.656 20.222 20.444 1.00 0.00 C ATOM 1170 C LEU A 71 6.082 20.666 21.794 1.00 0.00 C ATOM 1171 O LEU A 71 5.942 21.868 22.056 1.00 0.00 O ATOM 1172 CB LEU A 71 8.195 20.215 20.485 1.00 0.00 C ATOM 1173 CG LEU A 71 8.890 19.670 19.207 1.00 0.00 C ATOM 1174 CD1 LEU A 71 10.419 19.823 19.304 1.00 0.00 C ATOM 1175 CD2 LEU A 71 8.483 18.198 18.942 1.00 0.00 C ATOM 0 H LEU A 71 6.900 21.806 19.097 1.00 0.00 H new ATOM 0 HA LEU A 71 6.305 19.211 20.237 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.542 21.233 20.661 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.517 19.616 21.337 1.00 0.00 H new ATOM 0 HG LEU A 71 8.553 20.264 18.357 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.882 19.434 18.397 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.673 20.877 19.418 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.786 19.266 20.166 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.982 17.839 18.042 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.777 17.581 19.791 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.403 18.138 18.806 1.00 0.00 H new ATOM 1187 N ARG A 72 5.751 19.679 22.632 1.00 0.00 N ATOM 1188 CA ARG A 72 5.106 19.896 23.932 1.00 0.00 C ATOM 1189 C ARG A 72 5.932 19.238 25.046 1.00 0.00 C ATOM 1190 O ARG A 72 6.077 19.807 26.120 1.00 0.00 O ATOM 1191 CB ARG A 72 3.660 19.328 23.918 1.00 0.00 C ATOM 1192 CG ARG A 72 2.721 19.927 22.839 1.00 0.00 C ATOM 1193 CD ARG A 72 1.318 19.289 22.870 1.00 0.00 C ATOM 1194 NE ARG A 72 0.631 19.545 24.153 1.00 0.00 N ATOM 1195 CZ ARG A 72 -0.300 18.756 24.724 1.00 0.00 C ATOM 1196 NH1 ARG A 72 -0.630 17.590 24.197 1.00 0.00 N ATOM 1197 NH2 ARG A 72 -0.892 19.146 25.840 1.00 0.00 N ATOM 0 H ARG A 72 5.925 18.695 22.425 1.00 0.00 H new ATOM 0 HA ARG A 72 5.053 20.968 24.124 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.713 18.249 23.771 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.213 19.495 24.898 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.633 21.002 22.993 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.163 19.781 21.853 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.719 19.686 22.051 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.403 18.214 22.711 1.00 0.00 H new ATOM 0 HE ARG A 72 0.885 20.397 24.652 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -0.177 17.271 23.341 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -1.338 17.009 24.647 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.643 20.040 26.264 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.598 18.553 26.277 1.00 0.00 H new ATOM 1211 N LEU A 73 6.430 18.008 24.787 1.00 0.00 N ATOM 1212 CA LEU A 73 7.252 17.231 25.757 1.00 0.00 C ATOM 1213 C LEU A 73 6.601 17.193 27.169 1.00 0.00 C ATOM 1214 O LEU A 73 7.299 17.160 28.195 1.00 0.00 O ATOM 1215 CB LEU A 73 8.733 17.752 25.799 1.00 0.00 C ATOM 1216 CG LEU A 73 9.666 17.349 24.597 1.00 0.00 C ATOM 1217 CD1 LEU A 73 9.778 15.813 24.450 1.00 0.00 C ATOM 1218 CD2 LEU A 73 9.227 18.015 23.273 1.00 0.00 C ATOM 0 H LEU A 73 6.277 17.522 23.903 1.00 0.00 H new ATOM 0 HA LEU A 73 7.286 16.200 25.404 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.708 18.840 25.858 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.193 17.393 26.720 1.00 0.00 H new ATOM 0 HG LEU A 73 10.661 17.728 24.830 1.00 0.00 H new ATOM 0 HD11 LEU A 73 10.430 15.574 23.610 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.194 15.389 25.364 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.789 15.391 24.272 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.899 17.709 22.471 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.210 17.708 23.031 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.262 19.099 23.382 1.00 0.00 H new ATOM 1230 N ARG A 74 5.246 17.142 27.179 1.00 0.00 N ATOM 1231 CA ARG A 74 4.437 17.186 28.412 1.00 0.00 C ATOM 1232 C ARG A 74 4.709 15.955 29.292 1.00 0.00 C ATOM 1233 O ARG A 74 4.603 16.032 30.518 1.00 0.00 O ATOM 1234 CB ARG A 74 2.920 17.279 28.078 1.00 0.00 C ATOM 1235 CG ARG A 74 2.474 18.507 27.240 1.00 0.00 C ATOM 1236 CD ARG A 74 2.568 19.869 27.972 1.00 0.00 C ATOM 1237 NE ARG A 74 3.953 20.371 28.116 1.00 0.00 N ATOM 1238 CZ ARG A 74 4.572 20.643 29.275 1.00 0.00 C ATOM 1239 NH1 ARG A 74 3.965 20.455 30.434 1.00 0.00 N ATOM 1240 NH2 ARG A 74 5.814 21.084 29.266 1.00 0.00 N ATOM 0 H ARG A 74 4.687 17.069 26.329 1.00 0.00 H new ATOM 0 HA ARG A 74 4.726 18.079 28.966 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.632 16.375 27.541 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.363 17.284 29.015 1.00 0.00 H new ATOM 0 HG2 ARG A 74 3.085 18.553 26.338 1.00 0.00 H new ATOM 0 HG3 ARG A 74 1.443 18.354 26.920 1.00 0.00 H new ATOM 0 HD2 ARG A 74 1.978 20.606 27.427 1.00 0.00 H new ATOM 0 HD3 ARG A 74 2.121 19.772 28.961 1.00 0.00 H new ATOM 0 HE ARG A 74 4.484 20.524 27.258 1.00 0.00 H new ATOM 0 HH11 ARG A 74 3.010 20.097 30.457 1.00 0.00 H new ATOM 0 HH12 ARG A 74 4.452 20.667 31.305 1.00 0.00 H new ATOM 0 HH21 ARG A 74 6.301 21.217 28.380 1.00 0.00 H new ATOM 0 HH22 ARG A 74 6.288 21.292 30.145 1.00 0.00 H new ATOM 1254 N GLY A 75 5.068 14.830 28.638 1.00 0.00 N ATOM 1255 CA GLY A 75 5.421 13.586 29.329 1.00 0.00 C ATOM 1256 C GLY A 75 6.625 13.729 30.265 1.00 0.00 C ATOM 1257 O GLY A 75 6.720 13.016 31.269 1.00 0.00 O ATOM 0 H GLY A 75 5.119 14.765 27.621 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.562 13.243 29.905 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.636 12.816 28.588 1.00 0.00 H new ATOM 1261 N GLY A 76 7.538 14.665 29.931 1.00 0.00 N ATOM 1262 CA GLY A 76 8.695 15.003 30.778 1.00 0.00 C ATOM 1263 C GLY A 76 10.042 14.609 30.172 1.00 0.00 C ATOM 1264 O GLY A 76 11.082 14.754 30.829 1.00 0.00 O ATOM 0 H GLY A 76 7.492 15.206 29.067 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.693 16.076 30.968 1.00 0.00 H new ATOM 0 HA3 GLY A 76 8.583 14.509 31.743 1.00 0.00 H new TER 1268 GLY A 76 ATOM 1269 N GLY B 195 16.725 15.974 28.352 1.00 0.00 N ATOM 1270 CA GLY B 195 17.327 16.261 29.660 1.00 0.00 C ATOM 1271 C GLY B 195 17.604 17.743 29.842 1.00 0.00 C ATOM 1272 O GLY B 195 18.530 18.129 30.569 1.00 0.00 O ATOM 0 HA2 GLY B 195 16.660 15.916 30.450 1.00 0.00 H new ATOM 0 HA3 GLY B 195 18.257 15.702 29.762 1.00 0.00 H new ATOM 1276 N SER B 196 16.789 18.577 29.176 1.00 0.00 N ATOM 1277 CA SER B 196 16.870 20.041 29.269 1.00 0.00 C ATOM 1278 C SER B 196 15.992 20.532 30.434 1.00 0.00 C ATOM 1279 O SER B 196 14.761 20.575 30.317 1.00 0.00 O ATOM 1280 CB SER B 196 16.426 20.681 27.928 1.00 0.00 C ATOM 1281 OG SER B 196 17.210 20.196 26.847 1.00 0.00 O ATOM 0 H SER B 196 16.050 18.250 28.553 1.00 0.00 H new ATOM 0 HA SER B 196 17.900 20.340 29.462 1.00 0.00 H new ATOM 0 HB2 SER B 196 15.374 20.460 27.746 1.00 0.00 H new ATOM 0 HB3 SER B 196 16.518 21.765 27.991 1.00 0.00 H new ATOM 0 HG SER B 196 16.910 20.613 26.012 1.00 0.00 H new ATOM 1287 N ARG B 197 16.635 20.846 31.576 1.00 0.00 N ATOM 1288 CA ARG B 197 15.946 21.366 32.777 1.00 0.00 C ATOM 1289 C ARG B 197 15.735 22.887 32.634 1.00 0.00 C ATOM 1290 O ARG B 197 16.447 23.700 33.240 1.00 0.00 O ATOM 1291 CB ARG B 197 16.724 21.004 34.087 1.00 0.00 C ATOM 1292 CG ARG B 197 16.601 19.527 34.552 1.00 0.00 C ATOM 1293 CD ARG B 197 17.234 18.512 33.588 1.00 0.00 C ATOM 1294 NE ARG B 197 17.022 17.123 34.035 1.00 0.00 N ATOM 1295 CZ ARG B 197 17.777 16.066 33.688 1.00 0.00 C ATOM 1296 NH1 ARG B 197 18.833 16.203 32.892 1.00 0.00 N ATOM 1297 NH2 ARG B 197 17.464 14.863 34.146 1.00 0.00 N ATOM 0 H ARG B 197 17.643 20.747 31.693 1.00 0.00 H new ATOM 0 HA ARG B 197 14.969 20.889 32.858 1.00 0.00 H new ATOM 0 HB2 ARG B 197 17.779 21.233 33.937 1.00 0.00 H new ATOM 0 HB3 ARG B 197 16.369 21.650 34.890 1.00 0.00 H new ATOM 0 HG2 ARG B 197 17.071 19.425 35.530 1.00 0.00 H new ATOM 0 HG3 ARG B 197 15.546 19.283 34.678 1.00 0.00 H new ATOM 0 HD2 ARG B 197 16.808 18.642 32.593 1.00 0.00 H new ATOM 0 HD3 ARG B 197 18.303 18.708 33.505 1.00 0.00 H new ATOM 0 HE ARG B 197 16.236 16.949 34.661 1.00 0.00 H new ATOM 0 HH11 ARG B 197 19.084 17.124 32.532 1.00 0.00 H new ATOM 0 HH12 ARG B 197 19.392 15.387 32.641 1.00 0.00 H new ATOM 0 HH21 ARG B 197 16.656 14.744 34.757 1.00 0.00 H new ATOM 0 HH22 ARG B 197 18.031 14.056 33.888 1.00 0.00 H new ATOM 1311 N GLN B 198 14.772 23.237 31.769 1.00 0.00 N ATOM 1312 CA GLN B 198 14.404 24.623 31.461 1.00 0.00 C ATOM 1313 C GLN B 198 13.045 24.631 30.741 1.00 0.00 C ATOM 1314 O GLN B 198 12.663 23.637 30.099 1.00 0.00 O ATOM 1315 CB GLN B 198 15.489 25.310 30.572 1.00 0.00 C ATOM 1316 CG GLN B 198 15.653 24.706 29.153 1.00 0.00 C ATOM 1317 CD GLN B 198 16.747 25.366 28.302 1.00 0.00 C ATOM 1318 OE1 GLN B 198 17.849 25.772 28.919 1.00 0.00 O flip ATOM 1319 NE2 GLN B 198 16.622 25.458 27.078 1.00 0.00 N flip ATOM 0 H GLN B 198 14.218 22.551 31.256 1.00 0.00 H new ATOM 0 HA GLN B 198 14.334 25.186 32.392 1.00 0.00 H new ATOM 0 HB2 GLN B 198 15.241 26.367 30.474 1.00 0.00 H new ATOM 0 HB3 GLN B 198 16.448 25.254 31.087 1.00 0.00 H new ATOM 0 HG2 GLN B 198 15.876 23.643 29.248 1.00 0.00 H new ATOM 0 HG3 GLN B 198 14.702 24.786 28.626 1.00 0.00 H new ATOM 0 HE21 GLN B 198 15.764 25.139 26.627 1.00 0.00 H new ATOM 0 HE22 GLN B 198 17.376 25.854 26.517 1.00 0.00 H new ATOM 1328 N VAL B 199 12.309 25.738 30.875 1.00 0.00 N ATOM 1329 CA VAL B 199 11.108 25.984 30.076 1.00 0.00 C ATOM 1330 C VAL B 199 11.552 26.492 28.693 1.00 0.00 C ATOM 1331 O VAL B 199 12.244 27.512 28.600 1.00 0.00 O ATOM 1332 CB VAL B 199 10.142 27.012 30.770 1.00 0.00 C ATOM 1333 CG1 VAL B 199 8.875 27.245 29.913 1.00 0.00 C ATOM 1334 CG2 VAL B 199 9.775 26.531 32.199 1.00 0.00 C ATOM 0 H VAL B 199 12.528 26.483 31.536 1.00 0.00 H new ATOM 0 HA VAL B 199 10.545 25.056 29.975 1.00 0.00 H new ATOM 0 HB VAL B 199 10.660 27.967 30.857 1.00 0.00 H new ATOM 0 HG11 VAL B 199 8.223 27.960 30.415 1.00 0.00 H new ATOM 0 HG12 VAL B 199 9.163 27.638 28.938 1.00 0.00 H new ATOM 0 HG13 VAL B 199 8.346 26.301 29.782 1.00 0.00 H new ATOM 0 HG21 VAL B 199 9.106 27.254 32.666 1.00 0.00 H new ATOM 0 HG22 VAL B 199 9.279 25.562 32.141 1.00 0.00 H new ATOM 0 HG23 VAL B 199 10.682 26.439 32.796 1.00 0.00 H new ATOM 1344 N THR B 200 11.184 25.743 27.648 1.00 0.00 N ATOM 1345 CA THR B 200 11.600 26.008 26.262 1.00 0.00 C ATOM 1346 C THR B 200 10.786 27.182 25.662 1.00 0.00 C ATOM 1347 O THR B 200 9.562 27.182 25.746 1.00 0.00 O ATOM 1348 CB THR B 200 11.407 24.707 25.404 1.00 0.00 C ATOM 1349 OG1 THR B 200 12.089 23.611 26.036 1.00 0.00 O ATOM 1350 CG2 THR B 200 11.920 24.857 23.956 1.00 0.00 C ATOM 0 H THR B 200 10.581 24.925 27.740 1.00 0.00 H new ATOM 0 HA THR B 200 12.652 26.292 26.252 1.00 0.00 H new ATOM 0 HB THR B 200 10.335 24.519 25.349 1.00 0.00 H new ATOM 0 HG1 THR B 200 11.967 22.798 25.502 1.00 0.00 H new ATOM 0 HG21 THR B 200 11.759 23.925 23.414 1.00 0.00 H new ATOM 0 HG22 THR B 200 11.379 25.663 23.460 1.00 0.00 H new ATOM 0 HG23 THR B 200 12.985 25.089 23.969 1.00 0.00 H new ATOM 1358 N LYS B 201 11.473 28.202 25.101 1.00 0.00 N ATOM 1359 CA LYS B 201 10.805 29.336 24.417 1.00 0.00 C ATOM 1360 C LYS B 201 10.761 29.054 22.906 1.00 0.00 C ATOM 1361 O LYS B 201 11.798 28.814 22.274 1.00 0.00 O ATOM 1362 CB LYS B 201 11.509 30.699 24.727 1.00 0.00 C ATOM 1363 CG LYS B 201 11.218 31.279 26.140 1.00 0.00 C ATOM 1364 CD LYS B 201 11.795 30.423 27.293 1.00 0.00 C ATOM 1365 CE LYS B 201 11.311 30.873 28.681 1.00 0.00 C ATOM 1366 NZ LYS B 201 11.729 32.262 29.002 1.00 0.00 N ATOM 0 H LYS B 201 12.491 28.265 25.108 1.00 0.00 H new ATOM 0 HA LYS B 201 9.787 29.426 24.795 1.00 0.00 H new ATOM 0 HB2 LYS B 201 12.586 30.568 24.618 1.00 0.00 H new ATOM 0 HB3 LYS B 201 11.200 31.429 23.979 1.00 0.00 H new ATOM 0 HG2 LYS B 201 11.633 32.285 26.203 1.00 0.00 H new ATOM 0 HG3 LYS B 201 10.140 31.370 26.271 1.00 0.00 H new ATOM 0 HD2 LYS B 201 11.516 29.381 27.138 1.00 0.00 H new ATOM 0 HD3 LYS B 201 12.884 30.469 27.262 1.00 0.00 H new ATOM 0 HE2 LYS B 201 10.224 30.804 28.724 1.00 0.00 H new ATOM 0 HE3 LYS B 201 11.704 30.194 29.438 1.00 0.00 H new ATOM 0 HZ1 LYS B 201 11.380 32.520 29.947 1.00 0.00 H new ATOM 0 HZ2 LYS B 201 12.767 32.324 28.988 1.00 0.00 H new ATOM 0 HZ3 LYS B 201 11.333 32.915 28.296 1.00 0.00 H new ATOM 1380 N VAL B 202 9.538 29.073 22.359 1.00 0.00 N ATOM 1381 CA VAL B 202 9.223 28.692 20.974 1.00 0.00 C ATOM 1382 C VAL B 202 8.106 29.602 20.416 1.00 0.00 C ATOM 1383 O VAL B 202 7.442 30.323 21.167 1.00 0.00 O ATOM 1384 CB VAL B 202 8.774 27.180 20.893 1.00 0.00 C ATOM 1385 CG1 VAL B 202 9.964 26.201 21.050 1.00 0.00 C ATOM 1386 CG2 VAL B 202 7.675 26.874 21.941 1.00 0.00 C ATOM 0 H VAL B 202 8.714 29.363 22.885 1.00 0.00 H new ATOM 0 HA VAL B 202 10.124 28.816 20.373 1.00 0.00 H new ATOM 0 HB VAL B 202 8.361 27.026 19.896 1.00 0.00 H new ATOM 0 HG11 VAL B 202 9.602 25.175 20.987 1.00 0.00 H new ATOM 0 HG12 VAL B 202 10.689 26.379 20.256 1.00 0.00 H new ATOM 0 HG13 VAL B 202 10.440 26.359 22.018 1.00 0.00 H new ATOM 0 HG21 VAL B 202 7.382 25.827 21.866 1.00 0.00 H new ATOM 0 HG22 VAL B 202 8.061 27.072 22.941 1.00 0.00 H new ATOM 0 HG23 VAL B 202 6.808 27.508 21.755 1.00 0.00 H new ATOM 1396 N ASP B 203 7.901 29.546 19.096 1.00 0.00 N ATOM 1397 CA ASP B 203 6.969 30.446 18.383 1.00 0.00 C ATOM 1398 C ASP B 203 5.584 29.812 18.219 1.00 0.00 C ATOM 1399 O ASP B 203 5.466 28.603 18.049 1.00 0.00 O ATOM 1400 CB ASP B 203 7.546 30.815 16.997 1.00 0.00 C ATOM 1401 CG ASP B 203 8.883 31.555 17.113 1.00 0.00 C ATOM 1402 OD1 ASP B 203 8.882 32.786 17.296 1.00 0.00 O ATOM 1403 OD2 ASP B 203 9.943 30.909 17.053 1.00 0.00 O ATOM 0 H ASP B 203 8.373 28.878 18.486 1.00 0.00 H new ATOM 0 HA ASP B 203 6.855 31.348 18.983 1.00 0.00 H new ATOM 0 HB2 ASP B 203 7.683 29.908 16.408 1.00 0.00 H new ATOM 0 HB3 ASP B 203 6.831 31.439 16.461 1.00 0.00 H new ATOM 1408 N CYS B 204 4.543 30.661 18.259 1.00 0.00 N ATOM 1409 CA CYS B 204 3.143 30.264 18.038 1.00 0.00 C ATOM 1410 C CYS B 204 2.841 30.396 16.538 1.00 0.00 C ATOM 1411 O CYS B 204 2.648 31.511 16.070 1.00 0.00 O ATOM 1412 CB CYS B 204 2.199 31.157 18.884 1.00 0.00 C ATOM 1413 SG CYS B 204 0.418 30.734 18.831 1.00 0.00 S ATOM 0 H CYS B 204 4.653 31.657 18.449 1.00 0.00 H new ATOM 0 HA CYS B 204 2.982 29.232 18.349 1.00 0.00 H new ATOM 0 HB2 CYS B 204 2.529 31.117 19.922 1.00 0.00 H new ATOM 0 HB3 CYS B 204 2.316 32.189 18.552 1.00 0.00 H new ATOM 1418 N PRO B 205 2.806 29.265 15.755 1.00 0.00 N ATOM 1419 CA PRO B 205 2.754 29.307 14.257 1.00 0.00 C ATOM 1420 C PRO B 205 1.443 29.893 13.673 1.00 0.00 C ATOM 1421 O PRO B 205 1.310 30.024 12.452 1.00 0.00 O ATOM 1422 CB PRO B 205 2.948 27.814 13.868 1.00 0.00 C ATOM 1423 CG PRO B 205 2.416 27.055 15.040 1.00 0.00 C ATOM 1424 CD PRO B 205 2.814 27.861 16.253 1.00 0.00 C ATOM 0 HA PRO B 205 3.509 29.978 13.848 1.00 0.00 H new ATOM 0 HB2 PRO B 205 2.406 27.567 12.955 1.00 0.00 H new ATOM 0 HB3 PRO B 205 3.998 27.583 13.688 1.00 0.00 H new ATOM 0 HG2 PRO B 205 1.333 26.946 14.979 1.00 0.00 H new ATOM 0 HG3 PRO B 205 2.836 26.050 15.081 1.00 0.00 H new ATOM 0 HD2 PRO B 205 2.112 27.723 17.075 1.00 0.00 H new ATOM 0 HD3 PRO B 205 3.798 27.572 16.622 1.00 0.00 H new ATOM 1432 N VAL B 206 0.484 30.239 14.552 1.00 0.00 N ATOM 1433 CA VAL B 206 -0.783 30.867 14.149 1.00 0.00 C ATOM 1434 C VAL B 206 -0.659 32.408 14.199 1.00 0.00 C ATOM 1435 O VAL B 206 -0.733 33.070 13.164 1.00 0.00 O ATOM 1436 CB VAL B 206 -1.984 30.395 15.047 1.00 0.00 C ATOM 1437 CG1 VAL B 206 -3.329 30.913 14.479 1.00 0.00 C ATOM 1438 CG2 VAL B 206 -1.987 28.849 15.217 1.00 0.00 C ATOM 0 H VAL B 206 0.567 30.091 15.558 1.00 0.00 H new ATOM 0 HA VAL B 206 -0.990 30.553 13.126 1.00 0.00 H new ATOM 0 HB VAL B 206 -1.857 30.826 16.040 1.00 0.00 H new ATOM 0 HG11 VAL B 206 -4.147 30.575 15.115 1.00 0.00 H new ATOM 0 HG12 VAL B 206 -3.317 32.003 14.452 1.00 0.00 H new ATOM 0 HG13 VAL B 206 -3.471 30.526 13.470 1.00 0.00 H new ATOM 0 HG21 VAL B 206 -2.829 28.553 15.843 1.00 0.00 H new ATOM 0 HG22 VAL B 206 -2.078 28.376 14.239 1.00 0.00 H new ATOM 0 HG23 VAL B 206 -1.056 28.533 15.688 1.00 0.00 H new ATOM 1448 N CYS B 207 -0.441 32.972 15.414 1.00 0.00 N ATOM 1449 CA CYS B 207 -0.424 34.449 15.625 1.00 0.00 C ATOM 1450 C CYS B 207 1.019 35.009 15.661 1.00 0.00 C ATOM 1451 O CYS B 207 1.211 36.199 15.924 1.00 0.00 O ATOM 1452 CB CYS B 207 -1.202 34.835 16.914 1.00 0.00 C ATOM 1453 SG CYS B 207 -0.370 34.435 18.483 1.00 0.00 S ATOM 0 H CYS B 207 -0.275 32.431 16.263 1.00 0.00 H new ATOM 0 HA CYS B 207 -0.928 34.904 14.772 1.00 0.00 H new ATOM 0 HB2 CYS B 207 -1.399 35.907 16.891 1.00 0.00 H new ATOM 0 HB3 CYS B 207 -2.169 34.332 16.898 1.00 0.00 H new ATOM 1458 N GLY B 208 2.016 34.128 15.412 1.00 0.00 N ATOM 1459 CA GLY B 208 3.422 34.525 15.196 1.00 0.00 C ATOM 1460 C GLY B 208 4.092 35.225 16.384 1.00 0.00 C ATOM 1461 O GLY B 208 4.769 36.241 16.200 1.00 0.00 O ATOM 0 H GLY B 208 1.865 33.121 15.356 1.00 0.00 H new ATOM 0 HA2 GLY B 208 4.000 33.635 14.946 1.00 0.00 H new ATOM 0 HA3 GLY B 208 3.467 35.188 14.332 1.00 0.00 H new ATOM 1465 N VAL B 209 3.897 34.697 17.606 1.00 0.00 N ATOM 1466 CA VAL B 209 4.486 35.282 18.841 1.00 0.00 C ATOM 1467 C VAL B 209 5.429 34.273 19.536 1.00 0.00 C ATOM 1468 O VAL B 209 5.098 33.086 19.639 1.00 0.00 O ATOM 1469 CB VAL B 209 3.364 35.774 19.839 1.00 0.00 C ATOM 1470 CG1 VAL B 209 2.474 36.861 19.187 1.00 0.00 C ATOM 1471 CG2 VAL B 209 2.500 34.606 20.368 1.00 0.00 C ATOM 0 H VAL B 209 3.335 33.863 17.773 1.00 0.00 H new ATOM 0 HA VAL B 209 5.073 36.151 18.544 1.00 0.00 H new ATOM 0 HB VAL B 209 3.875 36.214 20.696 1.00 0.00 H new ATOM 0 HG11 VAL B 209 1.711 37.180 19.897 1.00 0.00 H new ATOM 0 HG12 VAL B 209 3.090 37.716 18.907 1.00 0.00 H new ATOM 0 HG13 VAL B 209 1.994 36.453 18.298 1.00 0.00 H new ATOM 0 HG21 VAL B 209 1.743 34.993 21.050 1.00 0.00 H new ATOM 0 HG22 VAL B 209 2.013 34.106 19.531 1.00 0.00 H new ATOM 0 HG23 VAL B 209 3.134 33.894 20.896 1.00 0.00 H new ATOM 1481 N ASN B 210 6.608 34.745 19.999 1.00 0.00 N ATOM 1482 CA ASN B 210 7.559 33.901 20.754 1.00 0.00 C ATOM 1483 C ASN B 210 7.204 33.944 22.253 1.00 0.00 C ATOM 1484 O ASN B 210 7.152 35.018 22.863 1.00 0.00 O ATOM 1485 CB ASN B 210 9.029 34.332 20.518 1.00 0.00 C ATOM 1486 CG ASN B 210 10.031 33.333 21.119 1.00 0.00 C ATOM 1487 OD1 ASN B 210 10.467 33.474 22.260 1.00 0.00 O ATOM 1488 ND2 ASN B 210 10.376 32.296 20.366 1.00 0.00 N ATOM 0 H ASN B 210 6.923 35.706 19.863 1.00 0.00 H new ATOM 0 HA ASN B 210 7.471 32.877 20.392 1.00 0.00 H new ATOM 0 HB2 ASN B 210 9.211 34.426 19.447 1.00 0.00 H new ATOM 0 HB3 ASN B 210 9.192 35.316 20.957 1.00 0.00 H new ATOM 0 HD21 ASN B 210 11.018 31.592 20.731 1.00 0.00 H new ATOM 0 HD22 ASN B 210 10.000 32.203 19.423 1.00 0.00 H new ATOM 1495 N ILE B 211 6.972 32.756 22.815 1.00 0.00 N ATOM 1496 CA ILE B 211 6.403 32.539 24.162 1.00 0.00 C ATOM 1497 C ILE B 211 6.986 31.226 24.752 1.00 0.00 C ATOM 1498 O ILE B 211 7.538 30.421 24.002 1.00 0.00 O ATOM 1499 CB ILE B 211 4.817 32.432 24.075 1.00 0.00 C ATOM 1500 CG1 ILE B 211 4.411 31.511 22.874 1.00 0.00 C ATOM 1501 CG2 ILE B 211 4.140 33.826 23.990 1.00 0.00 C ATOM 1502 CD1 ILE B 211 2.928 31.433 22.594 1.00 0.00 C ATOM 0 H ILE B 211 7.180 31.882 22.333 1.00 0.00 H new ATOM 0 HA ILE B 211 6.662 33.380 24.805 1.00 0.00 H new ATOM 0 HB ILE B 211 4.455 31.978 24.997 1.00 0.00 H new ATOM 0 HG12 ILE B 211 4.915 31.869 21.976 1.00 0.00 H new ATOM 0 HG13 ILE B 211 4.781 30.504 23.068 1.00 0.00 H new ATOM 0 HG21 ILE B 211 3.059 33.702 23.932 1.00 0.00 H new ATOM 0 HG22 ILE B 211 4.392 34.408 24.877 1.00 0.00 H new ATOM 0 HG23 ILE B 211 4.493 34.348 23.101 1.00 0.00 H new ATOM 0 HD11 ILE B 211 2.752 30.772 21.746 1.00 0.00 H new ATOM 0 HD12 ILE B 211 2.412 31.043 23.471 1.00 0.00 H new ATOM 0 HD13 ILE B 211 2.549 32.428 22.363 1.00 0.00 H new ATOM 1514 N PRO B 212 6.894 30.985 26.102 1.00 0.00 N ATOM 1515 CA PRO B 212 7.250 29.670 26.694 1.00 0.00 C ATOM 1516 C PRO B 212 6.314 28.549 26.180 1.00 0.00 C ATOM 1517 O PRO B 212 5.168 28.810 25.815 1.00 0.00 O ATOM 1518 CB PRO B 212 7.100 29.898 28.216 1.00 0.00 C ATOM 1519 CG PRO B 212 6.184 31.074 28.339 1.00 0.00 C ATOM 1520 CD PRO B 212 6.482 31.958 27.148 1.00 0.00 C ATOM 0 HA PRO B 212 8.253 29.341 26.424 1.00 0.00 H new ATOM 0 HB2 PRO B 212 6.683 29.019 28.708 1.00 0.00 H new ATOM 0 HB3 PRO B 212 8.065 30.098 28.683 1.00 0.00 H new ATOM 0 HG2 PRO B 212 5.141 30.758 28.340 1.00 0.00 H new ATOM 0 HG3 PRO B 212 6.356 31.607 29.274 1.00 0.00 H new ATOM 0 HD2 PRO B 212 5.607 32.532 26.843 1.00 0.00 H new ATOM 0 HD3 PRO B 212 7.273 32.675 27.366 1.00 0.00 H new ATOM 1528 N GLU B 213 6.824 27.312 26.187 1.00 0.00 N ATOM 1529 CA GLU B 213 6.200 26.151 25.525 1.00 0.00 C ATOM 1530 C GLU B 213 4.857 25.726 26.174 1.00 0.00 C ATOM 1531 O GLU B 213 3.934 25.300 25.480 1.00 0.00 O ATOM 1532 CB GLU B 213 7.242 24.990 25.446 1.00 0.00 C ATOM 1533 CG GLU B 213 6.715 23.609 24.979 1.00 0.00 C ATOM 1534 CD GLU B 213 6.152 22.765 26.136 1.00 0.00 C ATOM 1535 OE1 GLU B 213 6.952 22.367 27.009 1.00 0.00 O ATOM 1536 OE2 GLU B 213 4.923 22.506 26.190 1.00 0.00 O ATOM 0 H GLU B 213 7.698 27.081 26.660 1.00 0.00 H new ATOM 0 HA GLU B 213 5.922 26.437 24.511 1.00 0.00 H new ATOM 0 HB2 GLU B 213 8.040 25.295 24.770 1.00 0.00 H new ATOM 0 HB3 GLU B 213 7.689 24.867 26.432 1.00 0.00 H new ATOM 0 HG2 GLU B 213 5.937 23.756 24.230 1.00 0.00 H new ATOM 0 HG3 GLU B 213 7.524 23.061 24.495 1.00 0.00 H new ATOM 1543 N SER B 214 4.748 25.830 27.495 1.00 0.00 N ATOM 1544 CA SER B 214 3.472 25.592 28.209 1.00 0.00 C ATOM 1545 C SER B 214 2.379 26.566 27.690 1.00 0.00 C ATOM 1546 O SER B 214 1.223 26.179 27.427 1.00 0.00 O ATOM 1547 CB SER B 214 3.716 25.763 29.724 1.00 0.00 C ATOM 1548 OG SER B 214 4.404 26.980 29.986 1.00 0.00 O ATOM 0 H SER B 214 5.526 26.078 28.106 1.00 0.00 H new ATOM 0 HA SER B 214 3.116 24.579 28.023 1.00 0.00 H new ATOM 0 HB2 SER B 214 2.764 25.756 30.254 1.00 0.00 H new ATOM 0 HB3 SER B 214 4.297 24.922 30.101 1.00 0.00 H new ATOM 0 HG SER B 214 3.783 27.733 29.897 1.00 0.00 H new ATOM 1554 N HIS B 215 2.805 27.822 27.477 1.00 0.00 N ATOM 1555 CA HIS B 215 1.944 28.900 26.972 1.00 0.00 C ATOM 1556 C HIS B 215 1.790 28.828 25.440 1.00 0.00 C ATOM 1557 O HIS B 215 0.849 29.415 24.912 1.00 0.00 O ATOM 1558 CB HIS B 215 2.498 30.288 27.404 1.00 0.00 C ATOM 1559 CG HIS B 215 2.435 30.538 28.890 1.00 0.00 C ATOM 1560 ND1 HIS B 215 2.998 29.882 29.933 1.00 0.00 N flip ATOM 1561 CD2 HIS B 215 1.721 31.574 29.445 1.00 0.00 C flip ATOM 1562 CE1 HIS B 215 2.618 30.529 31.075 1.00 0.00 C flip ATOM 1563 NE2 HIS B 215 1.851 31.548 30.753 1.00 0.00 N flip ATOM 0 H HIS B 215 3.765 28.118 27.653 1.00 0.00 H new ATOM 0 HA HIS B 215 0.954 28.769 27.410 1.00 0.00 H new ATOM 0 HB2 HIS B 215 3.534 30.373 27.075 1.00 0.00 H new ATOM 0 HB3 HIS B 215 1.936 31.068 26.891 1.00 0.00 H new ATOM 0 HD2 HIS B 215 1.142 32.298 28.891 1.00 0.00 H new ATOM 0 HE1 HIS B 215 2.901 30.249 32.079 1.00 0.00 H new ATOM 0 HE2 HIS B 215 1.429 32.207 31.407 1.00 0.00 H new ATOM 1572 N ILE B 216 2.711 28.114 24.725 1.00 0.00 N ATOM 1573 CA ILE B 216 2.599 27.931 23.253 1.00 0.00 C ATOM 1574 C ILE B 216 1.438 26.973 22.983 1.00 0.00 C ATOM 1575 O ILE B 216 0.588 27.254 22.147 1.00 0.00 O ATOM 1576 CB ILE B 216 3.960 27.462 22.521 1.00 0.00 C ATOM 1577 CG1 ILE B 216 4.045 27.992 21.044 1.00 0.00 C ATOM 1578 CG2 ILE B 216 4.170 25.923 22.503 1.00 0.00 C ATOM 1579 CD1 ILE B 216 3.162 27.270 20.029 1.00 0.00 C ATOM 0 H ILE B 216 3.526 27.664 25.142 1.00 0.00 H new ATOM 0 HA ILE B 216 2.404 28.908 22.810 1.00 0.00 H new ATOM 0 HB ILE B 216 4.753 27.903 23.125 1.00 0.00 H new ATOM 0 HG12 ILE B 216 3.780 29.049 21.041 1.00 0.00 H new ATOM 0 HG13 ILE B 216 5.081 27.922 20.712 1.00 0.00 H new ATOM 0 HG21 ILE B 216 5.105 25.689 21.994 1.00 0.00 H new ATOM 0 HG22 ILE B 216 4.210 25.549 23.526 1.00 0.00 H new ATOM 0 HG23 ILE B 216 3.342 25.449 21.976 1.00 0.00 H new ATOM 0 HD11 ILE B 216 3.300 27.717 19.044 1.00 0.00 H new ATOM 0 HD12 ILE B 216 3.438 26.216 19.991 1.00 0.00 H new ATOM 0 HD13 ILE B 216 2.117 27.361 20.326 1.00 0.00 H new ATOM 1591 N ASN B 217 1.388 25.883 23.767 1.00 0.00 N ATOM 1592 CA ASN B 217 0.353 24.852 23.669 1.00 0.00 C ATOM 1593 C ASN B 217 -1.036 25.477 23.902 1.00 0.00 C ATOM 1594 O ASN B 217 -1.933 25.357 23.050 1.00 0.00 O ATOM 1595 CB ASN B 217 0.651 23.736 24.704 1.00 0.00 C ATOM 1596 CG ASN B 217 -0.372 22.593 24.741 1.00 0.00 C ATOM 1597 OD1 ASN B 217 -0.632 22.023 25.806 1.00 0.00 O ATOM 1598 ND2 ASN B 217 -0.914 22.197 23.590 1.00 0.00 N ATOM 0 H ASN B 217 2.077 25.695 24.495 1.00 0.00 H new ATOM 0 HA ASN B 217 0.356 24.412 22.672 1.00 0.00 H new ATOM 0 HB2 ASN B 217 1.634 23.316 24.490 1.00 0.00 H new ATOM 0 HB3 ASN B 217 0.706 24.186 25.695 1.00 0.00 H new ATOM 0 HD21 ASN B 217 -1.559 21.407 23.575 1.00 0.00 H new ATOM 0 HD22 ASN B 217 -0.684 22.684 22.724 1.00 0.00 H new ATOM 1605 N LYS B 218 -1.153 26.203 25.039 1.00 0.00 N ATOM 1606 CA LYS B 218 -2.397 26.888 25.439 1.00 0.00 C ATOM 1607 C LYS B 218 -2.829 27.942 24.392 1.00 0.00 C ATOM 1608 O LYS B 218 -4.032 28.074 24.065 1.00 0.00 O ATOM 1609 CB LYS B 218 -2.200 27.552 26.832 1.00 0.00 C ATOM 1610 CG LYS B 218 -3.498 28.119 27.467 1.00 0.00 C ATOM 1611 CD LYS B 218 -4.585 27.032 27.657 1.00 0.00 C ATOM 1612 CE LYS B 218 -4.133 25.889 28.587 1.00 0.00 C ATOM 1613 NZ LYS B 218 -5.087 24.747 28.566 1.00 0.00 N ATOM 0 H LYS B 218 -0.387 26.328 25.701 1.00 0.00 H new ATOM 0 HA LYS B 218 -3.193 26.146 25.499 1.00 0.00 H new ATOM 0 HB2 LYS B 218 -1.769 26.817 27.512 1.00 0.00 H new ATOM 0 HB3 LYS B 218 -1.475 28.360 26.735 1.00 0.00 H new ATOM 0 HG2 LYS B 218 -3.262 28.566 28.433 1.00 0.00 H new ATOM 0 HG3 LYS B 218 -3.891 28.915 26.835 1.00 0.00 H new ATOM 0 HD2 LYS B 218 -5.485 27.492 28.066 1.00 0.00 H new ATOM 0 HD3 LYS B 218 -4.852 26.618 26.685 1.00 0.00 H new ATOM 0 HE2 LYS B 218 -3.145 25.543 28.283 1.00 0.00 H new ATOM 0 HE3 LYS B 218 -4.039 26.265 29.606 1.00 0.00 H new ATOM 0 HZ1 LYS B 218 -4.747 23.999 29.204 1.00 0.00 H new ATOM 0 HZ2 LYS B 218 -6.024 25.071 28.880 1.00 0.00 H new ATOM 0 HZ3 LYS B 218 -5.157 24.371 27.599 1.00 0.00 H new ATOM 1627 N HIS B 219 -1.820 28.667 23.857 1.00 0.00 N ATOM 1628 CA HIS B 219 -2.025 29.701 22.831 1.00 0.00 C ATOM 1629 C HIS B 219 -2.733 29.103 21.628 1.00 0.00 C ATOM 1630 O HIS B 219 -3.649 29.707 21.106 1.00 0.00 O ATOM 1631 CB HIS B 219 -0.674 30.350 22.373 1.00 0.00 C ATOM 1632 CG HIS B 219 -0.564 31.823 22.664 1.00 0.00 C ATOM 1633 ND1 HIS B 219 -0.549 32.767 21.658 1.00 0.00 N ATOM 1634 CD2 HIS B 219 -0.430 32.452 23.861 1.00 0.00 C ATOM 1635 CE1 HIS B 219 -0.405 33.932 22.270 1.00 0.00 C ATOM 1636 NE2 HIS B 219 -0.329 33.787 23.599 1.00 0.00 N ATOM 0 H HIS B 219 -0.844 28.548 24.128 1.00 0.00 H new ATOM 0 HA HIS B 219 -2.639 30.484 23.275 1.00 0.00 H new ATOM 0 HB2 HIS B 219 0.149 29.832 22.865 1.00 0.00 H new ATOM 0 HB3 HIS B 219 -0.554 30.193 21.301 1.00 0.00 H new ATOM 0 HD2 HIS B 219 -0.408 31.984 24.834 1.00 0.00 H new ATOM 0 HE1 HIS B 219 -0.355 34.883 21.760 1.00 0.00 H new ATOM 0 HE2 HIS B 219 -0.217 34.533 24.285 1.00 0.00 H new ATOM 1644 N LEU B 220 -2.291 27.904 21.219 1.00 0.00 N ATOM 1645 CA LEU B 220 -2.829 27.224 20.038 1.00 0.00 C ATOM 1646 C LEU B 220 -4.301 26.913 20.210 1.00 0.00 C ATOM 1647 O LEU B 220 -5.075 27.214 19.326 1.00 0.00 O ATOM 1648 CB LEU B 220 -2.059 25.929 19.749 1.00 0.00 C ATOM 1649 CG LEU B 220 -0.545 26.116 19.520 1.00 0.00 C ATOM 1650 CD1 LEU B 220 0.154 24.773 19.337 1.00 0.00 C ATOM 1651 CD2 LEU B 220 -0.258 27.096 18.359 1.00 0.00 C ATOM 0 H LEU B 220 -1.555 27.384 21.696 1.00 0.00 H new ATOM 0 HA LEU B 220 -2.710 27.901 19.192 1.00 0.00 H new ATOM 0 HB2 LEU B 220 -2.204 25.242 20.583 1.00 0.00 H new ATOM 0 HB3 LEU B 220 -2.490 25.455 18.867 1.00 0.00 H new ATOM 0 HG LEU B 220 -0.126 26.573 20.417 1.00 0.00 H new ATOM 0 HD11 LEU B 220 1.220 24.936 19.177 1.00 0.00 H new ATOM 0 HD12 LEU B 220 0.010 24.163 20.229 1.00 0.00 H new ATOM 0 HD13 LEU B 220 -0.267 24.258 18.474 1.00 0.00 H new ATOM 0 HD21 LEU B 220 0.819 27.201 18.229 1.00 0.00 H new ATOM 0 HD22 LEU B 220 -0.698 26.710 17.440 1.00 0.00 H new ATOM 0 HD23 LEU B 220 -0.692 28.069 18.588 1.00 0.00 H new ATOM 1663 N ASP B 221 -4.669 26.353 21.377 1.00 0.00 N ATOM 1664 CA ASP B 221 -6.071 25.993 21.698 1.00 0.00 C ATOM 1665 C ASP B 221 -7.025 27.197 21.516 1.00 0.00 C ATOM 1666 O ASP B 221 -8.192 27.031 21.145 1.00 0.00 O ATOM 1667 CB ASP B 221 -6.176 25.440 23.140 1.00 0.00 C ATOM 1668 CG ASP B 221 -5.407 24.121 23.339 1.00 0.00 C ATOM 1669 OD1 ASP B 221 -5.898 23.062 22.894 1.00 0.00 O ATOM 1670 OD2 ASP B 221 -4.307 24.129 23.926 1.00 0.00 O ATOM 0 H ASP B 221 -4.009 26.136 22.124 1.00 0.00 H new ATOM 0 HA ASP B 221 -6.377 25.215 20.998 1.00 0.00 H new ATOM 0 HB2 ASP B 221 -5.793 26.185 23.837 1.00 0.00 H new ATOM 0 HB3 ASP B 221 -7.226 25.282 23.387 1.00 0.00 H new ATOM 1675 N SER B 222 -6.497 28.408 21.776 1.00 0.00 N ATOM 1676 CA SER B 222 -7.235 29.669 21.552 1.00 0.00 C ATOM 1677 C SER B 222 -7.101 30.151 20.085 1.00 0.00 C ATOM 1678 O SER B 222 -8.065 30.626 19.485 1.00 0.00 O ATOM 1679 CB SER B 222 -6.707 30.751 22.517 1.00 0.00 C ATOM 1680 OG SER B 222 -7.450 31.964 22.415 1.00 0.00 O ATOM 0 H SER B 222 -5.555 28.541 22.144 1.00 0.00 H new ATOM 0 HA SER B 222 -8.292 29.488 21.745 1.00 0.00 H new ATOM 0 HB2 SER B 222 -6.757 30.380 23.541 1.00 0.00 H new ATOM 0 HB3 SER B 222 -5.657 30.949 22.301 1.00 0.00 H new ATOM 0 HG SER B 222 -7.087 32.624 23.042 1.00 0.00 H new ATOM 1686 N CYS B 223 -5.893 29.991 19.524 1.00 0.00 N ATOM 1687 CA CYS B 223 -5.484 30.603 18.247 1.00 0.00 C ATOM 1688 C CYS B 223 -6.018 29.828 17.024 1.00 0.00 C ATOM 1689 O CYS B 223 -6.211 30.409 15.953 1.00 0.00 O ATOM 1690 CB CYS B 223 -3.933 30.743 18.224 1.00 0.00 C ATOM 1691 SG CYS B 223 -3.314 31.984 19.424 1.00 0.00 S ATOM 0 H CYS B 223 -5.160 29.424 19.950 1.00 0.00 H new ATOM 0 HA CYS B 223 -5.930 31.595 18.176 1.00 0.00 H new ATOM 0 HB2 CYS B 223 -3.482 29.775 18.444 1.00 0.00 H new ATOM 0 HB3 CYS B 223 -3.613 31.023 17.221 1.00 0.00 H new ATOM 1696 N LEU B 224 -6.295 28.522 17.203 1.00 0.00 N ATOM 1697 CA LEU B 224 -6.773 27.642 16.115 1.00 0.00 C ATOM 1698 C LEU B 224 -8.306 27.697 16.022 1.00 0.00 C ATOM 1699 O LEU B 224 -8.894 27.206 15.048 1.00 0.00 O ATOM 1700 CB LEU B 224 -6.246 26.183 16.318 1.00 0.00 C ATOM 1701 CG LEU B 224 -6.816 25.351 17.534 1.00 0.00 C ATOM 1702 CD1 LEU B 224 -8.122 24.584 17.201 1.00 0.00 C ATOM 1703 CD2 LEU B 224 -5.750 24.390 18.087 1.00 0.00 C ATOM 0 H LEU B 224 -6.195 28.048 18.100 1.00 0.00 H new ATOM 0 HA LEU B 224 -6.375 27.998 15.165 1.00 0.00 H new ATOM 0 HB2 LEU B 224 -6.451 25.624 15.405 1.00 0.00 H new ATOM 0 HB3 LEU B 224 -5.162 26.231 16.425 1.00 0.00 H new ATOM 0 HG LEU B 224 -7.076 26.079 18.302 1.00 0.00 H new ATOM 0 HD11 LEU B 224 -8.456 24.035 18.081 1.00 0.00 H new ATOM 0 HD12 LEU B 224 -8.894 25.293 16.901 1.00 0.00 H new ATOM 0 HD13 LEU B 224 -7.935 23.884 16.386 1.00 0.00 H new ATOM 0 HD21 LEU B 224 -6.166 23.828 18.923 1.00 0.00 H new ATOM 0 HD22 LEU B 224 -5.442 23.699 17.303 1.00 0.00 H new ATOM 0 HD23 LEU B 224 -4.886 24.961 18.427 1.00 0.00 H new ATOM 1715 N SER B 225 -8.941 28.280 17.066 1.00 0.00 N ATOM 1716 CA SER B 225 -10.383 28.538 17.095 1.00 0.00 C ATOM 1717 C SER B 225 -10.715 29.631 16.054 1.00 0.00 C ATOM 1718 O SER B 225 -10.695 30.825 16.353 1.00 0.00 O ATOM 1719 CB SER B 225 -10.828 28.946 18.523 1.00 0.00 C ATOM 1720 OG SER B 225 -10.496 27.940 19.470 1.00 0.00 O ATOM 0 H SER B 225 -8.457 28.582 17.911 1.00 0.00 H new ATOM 0 HA SER B 225 -10.933 27.633 16.836 1.00 0.00 H new ATOM 0 HB2 SER B 225 -10.349 29.885 18.802 1.00 0.00 H new ATOM 0 HB3 SER B 225 -11.904 29.121 18.536 1.00 0.00 H new ATOM 0 HG SER B 225 -9.571 28.064 19.768 1.00 0.00 H new ATOM 1726 N ARG B 226 -10.928 29.185 14.809 1.00 0.00 N ATOM 1727 CA ARG B 226 -11.180 30.053 13.643 1.00 0.00 C ATOM 1728 C ARG B 226 -12.667 30.009 13.249 1.00 0.00 C ATOM 1729 O ARG B 226 -13.410 29.166 13.757 1.00 0.00 O ATOM 1730 CB ARG B 226 -10.273 29.620 12.463 1.00 0.00 C ATOM 1731 CG ARG B 226 -10.407 28.136 12.049 1.00 0.00 C ATOM 1732 CD ARG B 226 -9.527 27.784 10.839 1.00 0.00 C ATOM 1733 NE ARG B 226 -9.865 28.627 9.674 1.00 0.00 N ATOM 1734 CZ ARG B 226 -9.014 29.421 9.010 1.00 0.00 C ATOM 1735 NH1 ARG B 226 -7.739 29.497 9.368 1.00 0.00 N ATOM 1736 NH2 ARG B 226 -9.458 30.160 8.005 1.00 0.00 N ATOM 0 H ARG B 226 -10.931 28.192 14.576 1.00 0.00 H new ATOM 0 HA ARG B 226 -10.938 31.083 13.904 1.00 0.00 H new ATOM 0 HB2 ARG B 226 -10.502 30.245 11.600 1.00 0.00 H new ATOM 0 HB3 ARG B 226 -9.235 29.815 12.731 1.00 0.00 H new ATOM 0 HG2 ARG B 226 -10.133 27.500 12.891 1.00 0.00 H new ATOM 0 HG3 ARG B 226 -11.449 27.920 11.812 1.00 0.00 H new ATOM 0 HD2 ARG B 226 -8.477 27.919 11.097 1.00 0.00 H new ATOM 0 HD3 ARG B 226 -9.659 26.733 10.582 1.00 0.00 H new ATOM 0 HE ARG B 226 -10.831 28.603 9.346 1.00 0.00 H new ATOM 0 HH11 ARG B 226 -7.397 28.947 10.156 1.00 0.00 H new ATOM 0 HH12 ARG B 226 -7.101 30.105 8.855 1.00 0.00 H new ATOM 0 HH21 ARG B 226 -10.442 30.123 7.741 1.00 0.00 H new ATOM 0 HH22 ARG B 226 -8.816 30.767 7.495 1.00 0.00 H new ATOM 1750 N GLU B 227 -13.065 30.922 12.330 1.00 0.00 N ATOM 1751 CA GLU B 227 -14.475 31.151 11.921 1.00 0.00 C ATOM 1752 C GLU B 227 -15.305 31.734 13.107 1.00 0.00 C ATOM 1753 O GLU B 227 -15.505 32.968 13.150 1.00 0.00 O ATOM 1754 CB GLU B 227 -15.146 29.874 11.290 1.00 0.00 C ATOM 1755 CG GLU B 227 -14.777 29.593 9.810 1.00 0.00 C ATOM 1756 CD GLU B 227 -13.291 29.271 9.574 1.00 0.00 C ATOM 1757 OE1 GLU B 227 -12.913 28.085 9.635 1.00 0.00 O ATOM 1758 OE2 GLU B 227 -12.492 30.202 9.317 1.00 0.00 O ATOM 1759 OXT GLU B 227 -15.723 30.968 14.002 1.00 0.00 O ATOM 0 H GLU B 227 -12.406 31.530 11.844 1.00 0.00 H new ATOM 0 HA GLU B 227 -14.464 31.894 11.124 1.00 0.00 H new ATOM 0 HB2 GLU B 227 -14.869 29.006 11.887 1.00 0.00 H new ATOM 0 HB3 GLU B 227 -16.228 29.979 11.364 1.00 0.00 H new ATOM 0 HG2 GLU B 227 -15.378 28.758 9.451 1.00 0.00 H new ATOM 0 HG3 GLU B 227 -15.047 30.462 9.210 1.00 0.00 H new TER 1766 GLU B 227 HETATM 1767 ZN ZN B 301 -0.984 32.462 19.603 1.00 0.00 ZN