USER MOD reduce.3.24.130724 H: found=0, std=0, add=891, rem=0, adj=26 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: A 1 MET CE :methyl -156:sc= 0 (180deg=-0.796) USER MOD Set 1.2: A -1 SER OG : rot 42:sc= 0.285 USER MOD Set 2.1: A 7 THR OG1 : rot 121:sc= 0.853 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.851 USER MOD Single : A 0 HIS : no HD1:sc= -0.0474 X(o=-0.047,f=-0.011) USER MOD Single : A 2 GLN : amide:sc= -0.149 K(o=-0.15,f=-4.2!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 168:sc= -0.0119 (180deg=-0.168) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -84:sc= 0.00443 USER MOD Single : A 20 SER OG : rot -37:sc= 0.309 USER MOD Single : A 22 THR OG1 : rot 31:sc= 0.408 USER MOD Single : A 25 ASN : amide:sc= -0.445 X(o=-0.44,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -162:sc= -0.0368 (180deg=-0.55) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.762 X(o=-0.76,f=-0.28) USER MOD Single : A 33 LYS NZ :NH3+ -149:sc= 0.543 (180deg=0.212) USER MOD Single : A 40 GLN : amide:sc= -0.807 X(o=-0.81,f=-0.8) USER MOD Single : A 41 GLN :FLIP amide:sc= -3.32 F(o=-5.6!,f=-3.3) USER MOD Single : A 48 LYS NZ :NH3+ -145:sc= 0.895 (180deg=0.23) USER MOD Single : A 49 GLN : amide:sc= 0.0511 K(o=0.051,f=-2.4!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.395 USER MOD Single : A 57 SER OG : rot -40:sc= -1.7! USER MOD Single : A 59 TYR OH : rot -71:sc= 0.918 USER MOD Single : A 60 ASN : amide:sc=-0.00182 X(o=-0.0018,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -107:sc= 0.2 (180deg=0) USER MOD Single : A 65 SER OG : rot -140:sc= 0.0267 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0228 X(o=-0.023,f=-0.023) USER MOD Single : B 196 SER OG : rot 180:sc= 0 USER MOD Single : B 198 GLN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : B 200 THR OG1 : rot 180:sc= 0 USER MOD Single : B 201 LYS NZ :NH3+ 157:sc= 0.994 (180deg=0.645) USER MOD Single : B 210 ASN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : B 214 SER OG : rot 180:sc= 0 USER MOD Single : B 215 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 217 ASN : amide:sc= -0.895 K(o=-0.89,f=-3.8!) 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 102:sc= 0.838 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 1.765 3.387 -0.535 1.00 0.00 N ATOM 2 CA GLY A -2 1.676 3.911 -1.914 1.00 0.00 C ATOM 3 C GLY A -2 2.990 4.509 -2.382 1.00 0.00 C ATOM 4 O GLY A -2 4.040 3.886 -2.209 1.00 0.00 O ATOM 0 H1 GLY A -2 0.846 2.988 -0.255 1.00 0.00 H new ATOM 0 H2 GLY A -2 2.492 2.645 -0.492 1.00 0.00 H new ATOM 0 H3 GLY A -2 2.019 4.159 0.114 1.00 0.00 H new ATOM 0 HA2 GLY A -2 1.383 3.107 -2.589 1.00 0.00 H new ATOM 0 HA3 GLY A -2 0.895 4.669 -1.964 1.00 0.00 H new ATOM 10 N SER A -1 2.927 5.712 -2.975 1.00 0.00 N ATOM 11 CA SER A -1 4.100 6.461 -3.457 1.00 0.00 C ATOM 12 C SER A -1 4.548 7.483 -2.387 1.00 0.00 C ATOM 13 O SER A -1 3.889 8.518 -2.202 1.00 0.00 O ATOM 14 CB SER A -1 3.739 7.161 -4.792 1.00 0.00 C ATOM 15 OG SER A -1 2.547 7.935 -4.677 1.00 0.00 O ATOM 0 H SER A -1 2.046 6.200 -3.136 1.00 0.00 H new ATOM 0 HA SER A -1 4.933 5.781 -3.635 1.00 0.00 H new ATOM 0 HB2 SER A -1 4.563 7.805 -5.099 1.00 0.00 H new ATOM 0 HB3 SER A -1 3.612 6.411 -5.573 1.00 0.00 H new ATOM 0 HG SER A -1 2.555 8.424 -3.827 1.00 0.00 H new ATOM 21 N HIS A 0 5.657 7.178 -1.672 1.00 0.00 N ATOM 22 CA HIS A 0 6.142 8.018 -0.559 1.00 0.00 C ATOM 23 C HIS A 0 6.793 9.330 -1.082 1.00 0.00 C ATOM 24 O HIS A 0 7.934 9.347 -1.554 1.00 0.00 O ATOM 25 CB HIS A 0 7.075 7.204 0.400 1.00 0.00 C ATOM 26 CG HIS A 0 8.365 6.648 -0.168 1.00 0.00 C ATOM 27 ND1 HIS A 0 8.466 5.380 -0.689 1.00 0.00 N ATOM 28 CD2 HIS A 0 9.617 7.171 -0.242 1.00 0.00 C ATOM 29 CE1 HIS A 0 9.707 5.145 -1.050 1.00 0.00 C ATOM 30 NE2 HIS A 0 10.424 6.219 -0.794 1.00 0.00 N ATOM 0 H HIS A 0 6.231 6.354 -1.849 1.00 0.00 H new ATOM 0 HA HIS A 0 5.284 8.325 0.039 1.00 0.00 H new ATOM 0 HB2 HIS A 0 7.330 7.846 1.243 1.00 0.00 H new ATOM 0 HB3 HIS A 0 6.498 6.369 0.799 1.00 0.00 H new ATOM 0 HD2 HIS A 0 9.918 8.158 0.077 1.00 0.00 H new ATOM 0 HE1 HIS A 0 10.076 4.227 -1.483 1.00 0.00 H new ATOM 0 HE2 HIS A 0 11.422 6.323 -0.978 1.00 0.00 H new ATOM 39 N MET A 1 6.001 10.416 -1.056 1.00 0.00 N ATOM 40 CA MET A 1 6.461 11.778 -1.405 1.00 0.00 C ATOM 41 C MET A 1 7.000 12.469 -0.146 1.00 0.00 C ATOM 42 O MET A 1 6.621 12.127 0.972 1.00 0.00 O ATOM 43 CB MET A 1 5.300 12.614 -2.011 1.00 0.00 C ATOM 44 CG MET A 1 4.611 11.958 -3.211 1.00 0.00 C ATOM 45 SD MET A 1 5.751 11.664 -4.576 1.00 0.00 S ATOM 46 CE MET A 1 4.719 10.743 -5.712 1.00 0.00 C ATOM 0 H MET A 1 5.017 10.377 -0.791 1.00 0.00 H new ATOM 0 HA MET A 1 7.252 11.702 -2.151 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.556 12.797 -1.235 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.688 13.586 -2.316 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.168 11.012 -2.900 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.795 12.595 -3.552 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.348 10.141 -6.368 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.051 10.091 -5.150 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.129 11.436 -6.311 1.00 0.00 H new ATOM 56 N GLN A 2 7.861 13.461 -0.336 1.00 0.00 N ATOM 57 CA GLN A 2 8.500 14.182 0.774 1.00 0.00 C ATOM 58 C GLN A 2 7.773 15.494 1.055 1.00 0.00 C ATOM 59 O GLN A 2 7.389 16.196 0.131 1.00 0.00 O ATOM 60 CB GLN A 2 10.013 14.426 0.514 1.00 0.00 C ATOM 61 CG GLN A 2 10.905 13.157 0.613 1.00 0.00 C ATOM 62 CD GLN A 2 11.044 12.342 -0.684 1.00 0.00 C ATOM 63 OE1 GLN A 2 10.164 12.329 -1.544 1.00 0.00 O ATOM 64 NE2 GLN A 2 12.156 11.640 -0.817 1.00 0.00 N ATOM 0 H GLN A 2 8.140 13.793 -1.259 1.00 0.00 H new ATOM 0 HA GLN A 2 8.425 13.551 1.660 1.00 0.00 H new ATOM 0 HB2 GLN A 2 10.131 14.859 -0.479 1.00 0.00 H new ATOM 0 HB3 GLN A 2 10.376 15.164 1.229 1.00 0.00 H new ATOM 0 HG2 GLN A 2 11.900 13.458 0.940 1.00 0.00 H new ATOM 0 HG3 GLN A 2 10.498 12.507 1.388 1.00 0.00 H new ATOM 0 HE21 GLN A 2 12.868 11.670 -0.088 1.00 0.00 H new ATOM 0 HE22 GLN A 2 12.302 11.068 -1.649 1.00 0.00 H new ATOM 73 N ILE A 3 7.569 15.779 2.353 1.00 0.00 N ATOM 74 CA ILE A 3 7.014 17.055 2.858 1.00 0.00 C ATOM 75 C ILE A 3 7.835 17.497 4.073 1.00 0.00 C ATOM 76 O ILE A 3 8.452 16.666 4.759 1.00 0.00 O ATOM 77 CB ILE A 3 5.473 17.002 3.250 1.00 0.00 C ATOM 78 CG1 ILE A 3 5.144 15.849 4.272 1.00 0.00 C ATOM 79 CG2 ILE A 3 4.570 16.917 1.993 1.00 0.00 C ATOM 80 CD1 ILE A 3 5.179 14.434 3.693 1.00 0.00 C ATOM 0 H ILE A 3 7.788 15.118 3.098 1.00 0.00 H new ATOM 0 HA ILE A 3 7.082 17.768 2.037 1.00 0.00 H new ATOM 0 HB ILE A 3 5.252 17.940 3.759 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.854 15.904 5.097 1.00 0.00 H new ATOM 0 HG13 ILE A 3 4.154 16.028 4.691 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.524 16.882 2.298 1.00 0.00 H new ATOM 0 HG22 ILE A 3 4.736 17.793 1.366 1.00 0.00 H new ATOM 0 HG23 ILE A 3 4.814 16.016 1.430 1.00 0.00 H new ATOM 0 HD11 ILE A 3 4.939 13.715 4.476 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.448 14.352 2.888 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.175 14.226 3.302 1.00 0.00 H new ATOM 92 N PHE A 4 7.818 18.806 4.343 1.00 0.00 N ATOM 93 CA PHE A 4 8.707 19.434 5.343 1.00 0.00 C ATOM 94 C PHE A 4 7.885 19.968 6.525 1.00 0.00 C ATOM 95 O PHE A 4 7.278 21.038 6.453 1.00 0.00 O ATOM 96 CB PHE A 4 9.542 20.555 4.664 1.00 0.00 C ATOM 97 CG PHE A 4 10.380 20.047 3.486 1.00 0.00 C ATOM 98 CD1 PHE A 4 11.607 19.420 3.704 1.00 0.00 C ATOM 99 CD2 PHE A 4 9.926 20.163 2.170 1.00 0.00 C ATOM 100 CE1 PHE A 4 12.353 18.933 2.649 1.00 0.00 C ATOM 101 CE2 PHE A 4 10.676 19.679 1.117 1.00 0.00 C ATOM 102 CZ PHE A 4 11.886 19.061 1.356 1.00 0.00 C ATOM 0 H PHE A 4 7.192 19.464 3.879 1.00 0.00 H new ATOM 0 HA PHE A 4 9.399 18.691 5.740 1.00 0.00 H new ATOM 0 HB2 PHE A 4 8.871 21.339 4.314 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.202 21.008 5.404 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.979 19.314 4.712 1.00 0.00 H new ATOM 0 HD2 PHE A 4 8.976 20.638 1.974 1.00 0.00 H new ATOM 0 HE1 PHE A 4 13.302 18.452 2.835 1.00 0.00 H new ATOM 0 HE2 PHE A 4 10.315 19.784 0.105 1.00 0.00 H new ATOM 0 HZ PHE A 4 12.468 18.677 0.531 1.00 0.00 H new ATOM 112 N VAL A 5 7.859 19.191 7.615 1.00 0.00 N ATOM 113 CA VAL A 5 7.145 19.548 8.846 1.00 0.00 C ATOM 114 C VAL A 5 8.175 20.112 9.833 1.00 0.00 C ATOM 115 O VAL A 5 8.936 19.372 10.452 1.00 0.00 O ATOM 116 CB VAL A 5 6.394 18.300 9.440 1.00 0.00 C ATOM 117 CG1 VAL A 5 5.702 18.633 10.772 1.00 0.00 C ATOM 118 CG2 VAL A 5 5.354 17.752 8.429 1.00 0.00 C ATOM 0 H VAL A 5 8.336 18.291 7.667 1.00 0.00 H new ATOM 0 HA VAL A 5 6.381 20.299 8.642 1.00 0.00 H new ATOM 0 HB VAL A 5 7.145 17.534 9.631 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.194 17.746 11.150 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.447 18.962 11.497 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.973 19.428 10.615 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.847 16.889 8.861 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.622 18.528 8.203 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.861 17.453 7.511 1.00 0.00 H new ATOM 128 N LYS A 6 8.218 21.439 9.916 1.00 0.00 N ATOM 129 CA LYS A 6 9.238 22.178 10.663 1.00 0.00 C ATOM 130 C LYS A 6 8.744 22.506 12.078 1.00 0.00 C ATOM 131 O LYS A 6 7.704 23.151 12.246 1.00 0.00 O ATOM 132 CB LYS A 6 9.575 23.482 9.909 1.00 0.00 C ATOM 133 CG LYS A 6 10.853 24.187 10.406 1.00 0.00 C ATOM 134 CD LYS A 6 11.180 25.463 9.606 1.00 0.00 C ATOM 135 CE LYS A 6 12.584 25.980 9.910 1.00 0.00 C ATOM 136 NZ LYS A 6 12.899 27.224 9.167 1.00 0.00 N ATOM 0 H LYS A 6 7.535 22.043 9.459 1.00 0.00 H new ATOM 0 HA LYS A 6 10.131 21.559 10.748 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.687 23.257 8.848 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.735 24.170 10.002 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.735 24.444 11.459 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.693 23.496 10.339 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.092 25.256 8.540 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.449 26.237 9.841 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.677 26.165 10.980 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.315 25.212 9.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 13.862 27.537 9.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.837 27.043 8.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.219 27.966 9.429 1.00 0.00 H new ATOM 150 N THR A 7 9.512 22.071 13.085 1.00 0.00 N ATOM 151 CA THR A 7 9.240 22.364 14.491 1.00 0.00 C ATOM 152 C THR A 7 9.495 23.836 14.828 1.00 0.00 C ATOM 153 O THR A 7 10.144 24.576 14.071 1.00 0.00 O ATOM 154 CB THR A 7 10.100 21.472 15.441 1.00 0.00 C ATOM 155 OG1 THR A 7 11.485 21.586 15.097 1.00 0.00 O ATOM 156 CG2 THR A 7 9.678 20.006 15.388 1.00 0.00 C ATOM 0 H THR A 7 10.346 21.501 12.942 1.00 0.00 H new ATOM 0 HA THR A 7 8.184 22.143 14.647 1.00 0.00 H new ATOM 0 HB THR A 7 9.939 21.828 16.458 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.987 21.921 15.869 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.303 19.423 16.064 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.635 19.917 15.690 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.795 19.630 14.371 1.00 0.00 H new ATOM 164 N LEU A 8 9.006 24.220 16.014 1.00 0.00 N ATOM 165 CA LEU A 8 9.146 25.578 16.567 1.00 0.00 C ATOM 166 C LEU A 8 10.614 25.907 16.908 1.00 0.00 C ATOM 167 O LEU A 8 10.977 27.081 17.013 1.00 0.00 O ATOM 168 CB LEU A 8 8.278 25.701 17.838 1.00 0.00 C ATOM 169 CG LEU A 8 6.790 25.278 17.701 1.00 0.00 C ATOM 170 CD1 LEU A 8 6.053 25.416 19.045 1.00 0.00 C ATOM 171 CD2 LEU A 8 6.079 26.063 16.576 1.00 0.00 C ATOM 0 H LEU A 8 8.493 23.587 16.628 1.00 0.00 H new ATOM 0 HA LEU A 8 8.813 26.289 15.811 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.734 25.098 18.623 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.309 26.737 18.174 1.00 0.00 H new ATOM 0 HG LEU A 8 6.767 24.225 17.419 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.013 25.114 18.922 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.531 24.779 19.789 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.093 26.454 19.377 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.040 25.741 16.509 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.115 27.130 16.798 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.580 25.873 15.627 1.00 0.00 H new ATOM 183 N THR A 9 11.447 24.860 17.056 1.00 0.00 N ATOM 184 CA THR A 9 12.880 24.997 17.376 1.00 0.00 C ATOM 185 C THR A 9 13.705 25.355 16.118 1.00 0.00 C ATOM 186 O THR A 9 14.914 25.581 16.209 1.00 0.00 O ATOM 187 CB THR A 9 13.420 23.671 18.017 1.00 0.00 C ATOM 188 OG1 THR A 9 13.185 22.570 17.124 1.00 0.00 O ATOM 189 CG2 THR A 9 12.748 23.377 19.376 1.00 0.00 C ATOM 0 H THR A 9 11.144 23.891 16.957 1.00 0.00 H new ATOM 0 HA THR A 9 12.988 25.811 18.093 1.00 0.00 H new ATOM 0 HB THR A 9 14.489 23.797 18.187 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.525 21.744 17.527 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.149 22.451 19.787 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.948 24.197 20.066 1.00 0.00 H new ATOM 0 HG23 THR A 9 11.672 23.276 19.235 1.00 0.00 H new ATOM 197 N GLY A 10 13.034 25.405 14.948 1.00 0.00 N ATOM 198 CA GLY A 10 13.672 25.750 13.675 1.00 0.00 C ATOM 199 C GLY A 10 14.188 24.525 12.935 1.00 0.00 C ATOM 200 O GLY A 10 14.836 24.654 11.892 1.00 0.00 O ATOM 0 H GLY A 10 12.037 25.207 14.867 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.957 26.278 13.044 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.500 26.435 13.860 1.00 0.00 H new ATOM 204 N LYS A 11 13.886 23.337 13.475 1.00 0.00 N ATOM 205 CA LYS A 11 14.326 22.047 12.930 1.00 0.00 C ATOM 206 C LYS A 11 13.286 21.527 11.940 1.00 0.00 C ATOM 207 O LYS A 11 12.095 21.605 12.200 1.00 0.00 O ATOM 208 CB LYS A 11 14.569 21.058 14.108 1.00 0.00 C ATOM 209 CG LYS A 11 14.329 19.563 13.817 1.00 0.00 C ATOM 210 CD LYS A 11 14.610 18.678 15.052 1.00 0.00 C ATOM 211 CE LYS A 11 14.478 17.185 14.751 1.00 0.00 C ATOM 212 NZ LYS A 11 15.473 16.733 13.753 1.00 0.00 N ATOM 0 H LYS A 11 13.319 23.244 14.318 1.00 0.00 H new ATOM 0 HA LYS A 11 15.263 22.157 12.385 1.00 0.00 H new ATOM 0 HB2 LYS A 11 15.598 21.178 14.446 1.00 0.00 H new ATOM 0 HB3 LYS A 11 13.925 21.351 14.937 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.298 19.418 13.495 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.968 19.247 12.992 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.616 18.883 15.419 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.918 18.946 15.851 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.604 16.616 15.672 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.474 16.976 14.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.489 15.693 13.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 15.215 17.100 12.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 16.415 17.087 14.017 1.00 0.00 H new ATOM 226 N THR A 12 13.758 20.988 10.816 1.00 0.00 N ATOM 227 CA THR A 12 12.893 20.513 9.723 1.00 0.00 C ATOM 228 C THR A 12 12.874 18.977 9.685 1.00 0.00 C ATOM 229 O THR A 12 13.925 18.325 9.693 1.00 0.00 O ATOM 230 CB THR A 12 13.367 21.061 8.349 1.00 0.00 C ATOM 231 OG1 THR A 12 13.409 22.497 8.388 1.00 0.00 O ATOM 232 CG2 THR A 12 12.444 20.609 7.195 1.00 0.00 C ATOM 0 H THR A 12 14.754 20.866 10.632 1.00 0.00 H new ATOM 0 HA THR A 12 11.886 20.884 9.914 1.00 0.00 H new ATOM 0 HB THR A 12 14.362 20.658 8.161 1.00 0.00 H new ATOM 0 HG1 THR A 12 13.710 22.839 7.520 1.00 0.00 H new ATOM 0 HG21 THR A 12 12.813 21.015 6.253 1.00 0.00 H new ATOM 0 HG22 THR A 12 12.435 19.520 7.142 1.00 0.00 H new ATOM 0 HG23 THR A 12 11.432 20.972 7.375 1.00 0.00 H new ATOM 240 N ILE A 13 11.660 18.424 9.658 1.00 0.00 N ATOM 241 CA ILE A 13 11.417 16.975 9.585 1.00 0.00 C ATOM 242 C ILE A 13 10.889 16.618 8.188 1.00 0.00 C ATOM 243 O ILE A 13 9.809 17.053 7.800 1.00 0.00 O ATOM 244 CB ILE A 13 10.441 16.484 10.728 1.00 0.00 C ATOM 245 CG1 ILE A 13 11.067 16.751 12.146 1.00 0.00 C ATOM 246 CG2 ILE A 13 10.097 14.991 10.570 1.00 0.00 C ATOM 247 CD1 ILE A 13 10.914 18.165 12.668 1.00 0.00 C ATOM 0 H ILE A 13 10.802 18.975 9.687 1.00 0.00 H new ATOM 0 HA ILE A 13 12.359 16.452 9.748 1.00 0.00 H new ATOM 0 HB ILE A 13 9.517 17.055 10.639 1.00 0.00 H new ATOM 0 HG12 ILE A 13 10.610 16.067 12.861 1.00 0.00 H new ATOM 0 HG13 ILE A 13 12.129 16.509 12.107 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.425 14.686 11.372 1.00 0.00 H new ATOM 0 HG22 ILE A 13 9.611 14.829 9.608 1.00 0.00 H new ATOM 0 HG23 ILE A 13 11.011 14.400 10.619 1.00 0.00 H new ATOM 0 HD11 ILE A 13 11.379 18.242 13.651 1.00 0.00 H new ATOM 0 HD12 ILE A 13 11.397 18.860 11.982 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.855 18.411 12.747 1.00 0.00 H new ATOM 259 N THR A 14 11.700 15.865 7.425 1.00 0.00 N ATOM 260 CA THR A 14 11.329 15.353 6.100 1.00 0.00 C ATOM 261 C THR A 14 10.606 14.003 6.265 1.00 0.00 C ATOM 262 O THR A 14 11.190 13.045 6.787 1.00 0.00 O ATOM 263 CB THR A 14 12.597 15.171 5.195 1.00 0.00 C ATOM 264 OG1 THR A 14 13.325 16.406 5.134 1.00 0.00 O ATOM 265 CG2 THR A 14 12.243 14.712 3.758 1.00 0.00 C ATOM 0 H THR A 14 12.639 15.594 7.716 1.00 0.00 H new ATOM 0 HA THR A 14 10.668 16.072 5.617 1.00 0.00 H new ATOM 0 HB THR A 14 13.206 14.388 5.647 1.00 0.00 H new ATOM 0 HG1 THR A 14 12.941 16.978 4.437 1.00 0.00 H new ATOM 0 HG21 THR A 14 13.158 14.602 3.175 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.722 13.756 3.800 1.00 0.00 H new ATOM 0 HG23 THR A 14 11.600 15.455 3.287 1.00 0.00 H new ATOM 273 N LEU A 15 9.331 13.946 5.856 1.00 0.00 N ATOM 274 CA LEU A 15 8.506 12.716 5.908 1.00 0.00 C ATOM 275 C LEU A 15 8.378 12.149 4.512 1.00 0.00 C ATOM 276 O LEU A 15 8.566 12.863 3.532 1.00 0.00 O ATOM 277 CB LEU A 15 7.077 12.969 6.481 1.00 0.00 C ATOM 278 CG LEU A 15 6.997 13.611 7.893 1.00 0.00 C ATOM 279 CD1 LEU A 15 7.914 12.890 8.888 1.00 0.00 C ATOM 280 CD2 LEU A 15 7.309 15.107 7.843 1.00 0.00 C ATOM 0 H LEU A 15 8.834 14.752 5.477 1.00 0.00 H new ATOM 0 HA LEU A 15 9.008 12.017 6.577 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.539 13.612 5.784 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.548 12.016 6.509 1.00 0.00 H new ATOM 0 HG LEU A 15 5.972 13.497 8.245 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.834 13.364 9.866 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.616 11.845 8.966 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.945 12.948 8.540 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.244 15.526 8.847 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.315 15.256 7.452 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.590 15.607 7.194 1.00 0.00 H new ATOM 292 N GLU A 16 8.031 10.863 4.441 1.00 0.00 N ATOM 293 CA GLU A 16 7.876 10.128 3.184 1.00 0.00 C ATOM 294 C GLU A 16 6.492 9.461 3.168 1.00 0.00 C ATOM 295 O GLU A 16 6.344 8.285 3.525 1.00 0.00 O ATOM 296 CB GLU A 16 9.035 9.105 3.040 1.00 0.00 C ATOM 297 CG GLU A 16 10.429 9.759 2.899 1.00 0.00 C ATOM 298 CD GLU A 16 11.577 8.760 3.048 1.00 0.00 C ATOM 299 OE1 GLU A 16 11.950 8.110 2.051 1.00 0.00 O ATOM 300 OE2 GLU A 16 12.094 8.595 4.177 1.00 0.00 O ATOM 0 H GLU A 16 7.847 10.294 5.267 1.00 0.00 H new ATOM 0 HA GLU A 16 7.931 10.799 2.327 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.038 8.448 3.910 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.848 8.478 2.168 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.500 10.243 1.925 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.535 10.540 3.651 1.00 0.00 H new ATOM 307 N VAL A 17 5.463 10.266 2.817 1.00 0.00 N ATOM 308 CA VAL A 17 4.040 9.845 2.773 1.00 0.00 C ATOM 309 C VAL A 17 3.389 10.438 1.507 1.00 0.00 C ATOM 310 O VAL A 17 4.012 11.228 0.799 1.00 0.00 O ATOM 311 CB VAL A 17 3.220 10.322 4.060 1.00 0.00 C ATOM 312 CG1 VAL A 17 3.990 10.077 5.381 1.00 0.00 C ATOM 313 CG2 VAL A 17 2.781 11.802 3.958 1.00 0.00 C ATOM 0 H VAL A 17 5.598 11.242 2.552 1.00 0.00 H new ATOM 0 HA VAL A 17 4.014 8.755 2.758 1.00 0.00 H new ATOM 0 HB VAL A 17 2.322 9.704 4.082 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.387 10.419 6.222 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.195 9.012 5.491 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.931 10.627 5.361 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.228 12.080 4.855 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.662 12.437 3.864 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.144 11.933 3.083 1.00 0.00 H new ATOM 323 N GLU A 18 2.125 10.094 1.241 1.00 0.00 N ATOM 324 CA GLU A 18 1.365 10.717 0.139 1.00 0.00 C ATOM 325 C GLU A 18 0.586 11.934 0.694 1.00 0.00 C ATOM 326 O GLU A 18 0.086 11.875 1.828 1.00 0.00 O ATOM 327 CB GLU A 18 0.394 9.696 -0.520 1.00 0.00 C ATOM 328 CG GLU A 18 1.004 8.297 -0.687 1.00 0.00 C ATOM 329 CD GLU A 18 0.142 7.324 -1.512 1.00 0.00 C ATOM 330 OE1 GLU A 18 0.275 7.299 -2.757 1.00 0.00 O ATOM 331 OE2 GLU A 18 -0.662 6.573 -0.922 1.00 0.00 O ATOM 0 H GLU A 18 1.604 9.392 1.767 1.00 0.00 H new ATOM 0 HA GLU A 18 2.060 11.048 -0.633 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.509 9.621 0.086 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.092 10.072 -1.497 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.979 8.393 -1.164 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.173 7.867 0.300 1.00 0.00 H new ATOM 338 N PRO A 19 0.500 13.071 -0.071 1.00 0.00 N ATOM 339 CA PRO A 19 -0.438 14.185 0.240 1.00 0.00 C ATOM 340 C PRO A 19 -1.904 13.699 0.340 1.00 0.00 C ATOM 341 O PRO A 19 -2.698 14.240 1.116 1.00 0.00 O ATOM 342 CB PRO A 19 -0.234 15.192 -0.934 1.00 0.00 C ATOM 343 CG PRO A 19 0.549 14.443 -1.976 1.00 0.00 C ATOM 344 CD PRO A 19 1.351 13.391 -1.245 1.00 0.00 C ATOM 0 HA PRO A 19 -0.236 14.636 1.211 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.191 15.531 -1.331 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.305 16.079 -0.601 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -0.118 13.983 -2.705 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.206 15.118 -2.526 1.00 0.00 H new ATOM 0 HD2 PRO A 19 1.525 12.513 -1.867 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.328 13.767 -0.943 1.00 0.00 H new ATOM 352 N SER A 20 -2.219 12.627 -0.408 1.00 0.00 N ATOM 353 CA SER A 20 -3.576 12.073 -0.514 1.00 0.00 C ATOM 354 C SER A 20 -3.794 10.948 0.529 1.00 0.00 C ATOM 355 O SER A 20 -4.861 10.326 0.551 1.00 0.00 O ATOM 356 CB SER A 20 -3.783 11.547 -1.963 1.00 0.00 C ATOM 357 OG SER A 20 -5.114 11.124 -2.201 1.00 0.00 O ATOM 0 H SER A 20 -1.530 12.117 -0.961 1.00 0.00 H new ATOM 0 HA SER A 20 -4.311 12.850 -0.303 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.522 12.333 -2.672 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.103 10.715 -2.145 1.00 0.00 H new ATOM 0 HG SER A 20 -5.469 10.692 -1.396 1.00 0.00 H new ATOM 363 N ASP A 21 -2.786 10.709 1.407 1.00 0.00 N ATOM 364 CA ASP A 21 -2.814 9.587 2.364 1.00 0.00 C ATOM 365 C ASP A 21 -3.639 9.944 3.624 1.00 0.00 C ATOM 366 O ASP A 21 -4.844 9.675 3.644 1.00 0.00 O ATOM 367 CB ASP A 21 -1.378 9.133 2.715 1.00 0.00 C ATOM 368 CG ASP A 21 -1.351 7.814 3.495 1.00 0.00 C ATOM 369 OD1 ASP A 21 -1.591 6.749 2.884 1.00 0.00 O ATOM 370 OD2 ASP A 21 -1.108 7.829 4.707 1.00 0.00 O ATOM 0 H ASP A 21 -1.945 11.283 1.467 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.315 8.743 1.890 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.802 9.020 1.797 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.889 9.909 3.304 1.00 0.00 H new ATOM 375 N THR A 22 -2.996 10.565 4.653 1.00 0.00 N ATOM 376 CA THR A 22 -3.678 11.039 5.889 1.00 0.00 C ATOM 377 C THR A 22 -2.665 11.678 6.870 1.00 0.00 C ATOM 378 O THR A 22 -1.495 11.271 6.920 1.00 0.00 O ATOM 379 CB THR A 22 -4.483 9.908 6.640 1.00 0.00 C ATOM 380 OG1 THR A 22 -5.188 10.460 7.767 1.00 0.00 O ATOM 381 CG2 THR A 22 -3.592 8.745 7.120 1.00 0.00 C ATOM 0 H THR A 22 -1.993 10.750 4.648 1.00 0.00 H new ATOM 0 HA THR A 22 -4.400 11.784 5.554 1.00 0.00 H new ATOM 0 HB THR A 22 -5.186 9.502 5.913 1.00 0.00 H new ATOM 0 HG1 THR A 22 -5.439 11.387 7.574 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.206 8.002 7.628 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.101 8.285 6.262 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.838 9.125 7.809 1.00 0.00 H new ATOM 389 N ILE A 23 -3.152 12.659 7.667 1.00 0.00 N ATOM 390 CA ILE A 23 -2.359 13.398 8.678 1.00 0.00 C ATOM 391 C ILE A 23 -1.921 12.459 9.819 1.00 0.00 C ATOM 392 O ILE A 23 -0.839 12.626 10.390 1.00 0.00 O ATOM 393 CB ILE A 23 -3.193 14.599 9.297 1.00 0.00 C ATOM 394 CG1 ILE A 23 -3.657 15.619 8.204 1.00 0.00 C ATOM 395 CG2 ILE A 23 -2.427 15.331 10.437 1.00 0.00 C ATOM 396 CD1 ILE A 23 -2.529 16.298 7.448 1.00 0.00 C ATOM 0 H ILE A 23 -4.124 12.964 7.624 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.480 13.796 8.171 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.083 14.148 9.736 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.294 15.099 7.488 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.270 16.385 8.679 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.042 16.143 10.825 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.208 14.626 11.239 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.494 15.737 10.046 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.946 16.986 6.713 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.903 16.851 8.148 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.927 15.545 6.940 1.00 0.00 H new ATOM 408 N GLU A 24 -2.794 11.483 10.136 1.00 0.00 N ATOM 409 CA GLU A 24 -2.569 10.485 11.204 1.00 0.00 C ATOM 410 C GLU A 24 -1.269 9.694 10.918 1.00 0.00 C ATOM 411 O GLU A 24 -0.467 9.403 11.821 1.00 0.00 O ATOM 412 CB GLU A 24 -3.818 9.540 11.299 1.00 0.00 C ATOM 413 CG GLU A 24 -4.136 8.975 12.704 1.00 0.00 C ATOM 414 CD GLU A 24 -3.051 8.055 13.275 1.00 0.00 C ATOM 415 OE1 GLU A 24 -2.941 6.902 12.805 1.00 0.00 O ATOM 416 OE2 GLU A 24 -2.295 8.486 14.172 1.00 0.00 O ATOM 0 H GLU A 24 -3.685 11.363 9.654 1.00 0.00 H new ATOM 0 HA GLU A 24 -2.446 10.983 12.166 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.691 10.087 10.943 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.668 8.702 10.618 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.289 9.807 13.391 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.075 8.424 12.657 1.00 0.00 H new ATOM 423 N ASN A 25 -1.056 9.403 9.632 1.00 0.00 N ATOM 424 CA ASN A 25 0.143 8.698 9.160 1.00 0.00 C ATOM 425 C ASN A 25 1.360 9.615 9.251 1.00 0.00 C ATOM 426 O ASN A 25 2.414 9.198 9.726 1.00 0.00 O ATOM 427 CB ASN A 25 -0.058 8.238 7.712 1.00 0.00 C ATOM 428 CG ASN A 25 1.041 7.303 7.195 1.00 0.00 C ATOM 429 OD1 ASN A 25 1.008 6.098 7.415 1.00 0.00 O ATOM 430 ND2 ASN A 25 2.007 7.846 6.487 1.00 0.00 N ATOM 0 H ASN A 25 -1.708 9.649 8.887 1.00 0.00 H new ATOM 0 HA ASN A 25 0.311 7.825 9.791 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.019 7.730 7.633 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.107 9.115 7.067 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.751 7.261 6.107 1.00 0.00 H new ATOM 0 HD22 ASN A 25 2.012 8.852 6.318 1.00 0.00 H new ATOM 437 N VAL A 26 1.170 10.875 8.802 1.00 0.00 N ATOM 438 CA VAL A 26 2.234 11.911 8.796 1.00 0.00 C ATOM 439 C VAL A 26 2.833 12.089 10.204 1.00 0.00 C ATOM 440 O VAL A 26 4.051 12.056 10.362 1.00 0.00 O ATOM 441 CB VAL A 26 1.712 13.316 8.278 1.00 0.00 C ATOM 442 CG1 VAL A 26 2.841 14.387 8.243 1.00 0.00 C ATOM 443 CG2 VAL A 26 1.049 13.188 6.895 1.00 0.00 C ATOM 0 H VAL A 26 0.278 11.205 8.434 1.00 0.00 H new ATOM 0 HA VAL A 26 3.000 11.557 8.106 1.00 0.00 H new ATOM 0 HB VAL A 26 0.962 13.654 8.993 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.435 15.332 7.882 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.243 14.525 9.247 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.637 14.055 7.576 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.701 14.167 6.566 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.774 12.801 6.179 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.202 12.505 6.959 1.00 0.00 H new ATOM 453 N LYS A 27 1.956 12.225 11.221 1.00 0.00 N ATOM 454 CA LYS A 27 2.366 12.490 12.616 1.00 0.00 C ATOM 455 C LYS A 27 3.075 11.275 13.233 1.00 0.00 C ATOM 456 O LYS A 27 3.980 11.433 14.068 1.00 0.00 O ATOM 457 CB LYS A 27 1.157 12.931 13.475 1.00 0.00 C ATOM 458 CG LYS A 27 0.058 11.881 13.717 1.00 0.00 C ATOM 459 CD LYS A 27 -1.122 12.452 14.534 1.00 0.00 C ATOM 460 CE LYS A 27 -1.874 13.574 13.800 1.00 0.00 C ATOM 461 NZ LYS A 27 -2.855 14.262 14.682 1.00 0.00 N ATOM 0 H LYS A 27 0.946 12.154 11.098 1.00 0.00 H new ATOM 0 HA LYS A 27 3.082 13.312 12.600 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.531 13.261 14.444 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.700 13.798 12.998 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.309 11.514 12.759 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.483 11.027 14.244 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.819 11.647 14.767 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.748 12.834 15.484 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.157 14.302 13.420 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.393 13.157 12.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.540 14.784 14.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.357 13.557 15.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.354 14.927 15.306 1.00 0.00 H new ATOM 475 N ALA A 28 2.662 10.068 12.793 1.00 0.00 N ATOM 476 CA ALA A 28 3.356 8.811 13.125 1.00 0.00 C ATOM 477 C ALA A 28 4.798 8.813 12.584 1.00 0.00 C ATOM 478 O ALA A 28 5.707 8.244 13.202 1.00 0.00 O ATOM 479 CB ALA A 28 2.565 7.615 12.573 1.00 0.00 C ATOM 0 H ALA A 28 1.842 9.940 12.200 1.00 0.00 H new ATOM 0 HA ALA A 28 3.413 8.723 14.210 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.084 6.689 12.822 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.569 7.603 13.015 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.481 7.703 11.490 1.00 0.00 H new ATOM 485 N LYS A 29 4.987 9.467 11.422 1.00 0.00 N ATOM 486 CA LYS A 29 6.297 9.565 10.767 1.00 0.00 C ATOM 487 C LYS A 29 7.196 10.623 11.434 1.00 0.00 C ATOM 488 O LYS A 29 8.401 10.452 11.419 1.00 0.00 O ATOM 489 CB LYS A 29 6.157 9.832 9.243 1.00 0.00 C ATOM 490 CG LYS A 29 5.265 8.833 8.494 1.00 0.00 C ATOM 491 CD LYS A 29 5.654 7.360 8.741 1.00 0.00 C ATOM 492 CE LYS A 29 4.552 6.387 8.305 1.00 0.00 C ATOM 493 NZ LYS A 29 4.916 4.978 8.592 1.00 0.00 N ATOM 0 H LYS A 29 4.237 9.939 10.916 1.00 0.00 H new ATOM 0 HA LYS A 29 6.784 8.598 10.891 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.755 10.835 9.100 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.150 9.819 8.793 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.229 8.983 8.798 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.317 9.041 7.425 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.572 7.133 8.199 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.866 7.215 9.800 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.624 6.635 8.820 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.365 6.504 7.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.146 4.351 8.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.788 4.734 8.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.069 4.860 9.614 1.00 0.00 H new ATOM 507 N ILE A 30 6.626 11.721 12.001 1.00 0.00 N ATOM 508 CA ILE A 30 7.418 12.673 12.836 1.00 0.00 C ATOM 509 C ILE A 30 8.035 11.912 14.032 1.00 0.00 C ATOM 510 O ILE A 30 9.226 12.068 14.341 1.00 0.00 O ATOM 511 CB ILE A 30 6.569 13.927 13.340 1.00 0.00 C ATOM 512 CG1 ILE A 30 6.379 15.010 12.214 1.00 0.00 C ATOM 513 CG2 ILE A 30 7.177 14.587 14.606 1.00 0.00 C ATOM 514 CD1 ILE A 30 5.298 14.720 11.197 1.00 0.00 C ATOM 0 H ILE A 30 5.642 11.968 11.900 1.00 0.00 H new ATOM 0 HA ILE A 30 8.207 13.082 12.205 1.00 0.00 H new ATOM 0 HB ILE A 30 5.590 13.527 13.603 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.157 15.966 12.689 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.325 15.128 11.686 1.00 0.00 H new ATOM 0 HG21 ILE A 30 6.561 15.434 14.906 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.211 13.858 15.416 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.187 14.933 14.387 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.255 15.531 10.470 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.522 13.785 10.684 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.336 14.635 11.703 1.00 0.00 H new ATOM 526 N GLN A 31 7.211 11.055 14.661 1.00 0.00 N ATOM 527 CA GLN A 31 7.651 10.165 15.749 1.00 0.00 C ATOM 528 C GLN A 31 8.719 9.158 15.262 1.00 0.00 C ATOM 529 O GLN A 31 9.590 8.749 16.024 1.00 0.00 O ATOM 530 CB GLN A 31 6.426 9.430 16.354 1.00 0.00 C ATOM 531 CG GLN A 31 6.762 8.500 17.543 1.00 0.00 C ATOM 532 CD GLN A 31 5.552 7.768 18.143 1.00 0.00 C ATOM 533 OE1 GLN A 31 5.531 7.467 19.335 1.00 0.00 O ATOM 534 NE2 GLN A 31 4.534 7.471 17.342 1.00 0.00 N ATOM 0 H GLN A 31 6.222 10.960 14.429 1.00 0.00 H new ATOM 0 HA GLN A 31 8.116 10.774 16.525 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.699 10.172 16.683 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.948 8.841 15.571 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.491 7.760 17.214 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.238 9.090 18.326 1.00 0.00 H new ATOM 0 HE21 GLN A 31 4.569 7.729 16.356 1.00 0.00 H new ATOM 0 HE22 GLN A 31 3.718 6.985 17.714 1.00 0.00 H new ATOM 543 N ASP A 32 8.631 8.769 13.986 1.00 0.00 N ATOM 544 CA ASP A 32 9.622 7.892 13.327 1.00 0.00 C ATOM 545 C ASP A 32 10.958 8.631 13.077 1.00 0.00 C ATOM 546 O ASP A 32 12.034 8.030 13.202 1.00 0.00 O ATOM 547 CB ASP A 32 9.007 7.334 12.007 1.00 0.00 C ATOM 548 CG ASP A 32 10.018 6.694 11.044 1.00 0.00 C ATOM 549 OD1 ASP A 32 10.540 5.609 11.359 1.00 0.00 O ATOM 550 OD2 ASP A 32 10.315 7.285 9.979 1.00 0.00 O ATOM 0 H ASP A 32 7.868 9.052 13.372 1.00 0.00 H new ATOM 0 HA ASP A 32 9.858 7.056 13.986 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.249 6.593 12.261 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.497 8.146 11.489 1.00 0.00 H new ATOM 555 N LYS A 33 10.890 9.943 12.765 1.00 0.00 N ATOM 556 CA LYS A 33 12.070 10.719 12.322 1.00 0.00 C ATOM 557 C LYS A 33 12.815 11.320 13.523 1.00 0.00 C ATOM 558 O LYS A 33 13.943 10.913 13.818 1.00 0.00 O ATOM 559 CB LYS A 33 11.664 11.843 11.325 1.00 0.00 C ATOM 560 CG LYS A 33 10.988 11.352 10.029 1.00 0.00 C ATOM 561 CD LYS A 33 11.909 10.529 9.114 1.00 0.00 C ATOM 562 CE LYS A 33 11.158 9.962 7.890 1.00 0.00 C ATOM 563 NZ LYS A 33 12.032 9.122 7.032 1.00 0.00 N ATOM 0 H LYS A 33 10.029 10.488 12.812 1.00 0.00 H new ATOM 0 HA LYS A 33 12.740 10.030 11.807 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.987 12.530 11.832 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.555 12.411 11.059 1.00 0.00 H new ATOM 0 HG2 LYS A 33 10.120 10.747 10.291 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.620 12.215 9.474 1.00 0.00 H new ATOM 0 HD2 LYS A 33 12.734 11.155 8.774 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.345 9.708 9.683 1.00 0.00 H new ATOM 0 HE2 LYS A 33 10.309 9.369 8.230 1.00 0.00 H new ATOM 0 HE3 LYS A 33 10.756 10.785 7.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 11.721 9.195 6.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.015 9.451 7.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 11.973 8.131 7.341 1.00 0.00 H new ATOM 577 N GLU A 34 12.172 12.278 14.224 1.00 0.00 N ATOM 578 CA GLU A 34 12.806 12.990 15.354 1.00 0.00 C ATOM 579 C GLU A 34 12.594 12.244 16.680 1.00 0.00 C ATOM 580 O GLU A 34 13.360 12.439 17.630 1.00 0.00 O ATOM 581 CB GLU A 34 12.317 14.454 15.457 1.00 0.00 C ATOM 582 CG GLU A 34 10.808 14.664 15.716 1.00 0.00 C ATOM 583 CD GLU A 34 10.413 16.140 16.016 1.00 0.00 C ATOM 584 OE1 GLU A 34 11.283 17.044 15.965 1.00 0.00 O ATOM 585 OE2 GLU A 34 9.231 16.391 16.327 1.00 0.00 O ATOM 0 H GLU A 34 11.216 12.576 14.028 1.00 0.00 H new ATOM 0 HA GLU A 34 13.877 13.015 15.153 1.00 0.00 H new ATOM 0 HB2 GLU A 34 12.871 14.942 16.258 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.578 14.966 14.531 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.250 14.320 14.845 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.504 14.040 16.557 1.00 0.00 H new ATOM 592 N GLY A 35 11.551 11.395 16.737 1.00 0.00 N ATOM 593 CA GLY A 35 11.307 10.523 17.893 1.00 0.00 C ATOM 594 C GLY A 35 10.281 11.067 18.871 1.00 0.00 C ATOM 595 O GLY A 35 10.139 10.528 19.975 1.00 0.00 O ATOM 0 H GLY A 35 10.863 11.297 15.990 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.973 9.549 17.536 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.248 10.364 18.420 1.00 0.00 H new ATOM 599 N ILE A 36 9.542 12.114 18.462 1.00 0.00 N ATOM 600 CA ILE A 36 8.565 12.796 19.335 1.00 0.00 C ATOM 601 C ILE A 36 7.142 12.263 19.023 1.00 0.00 C ATOM 602 O ILE A 36 6.685 12.369 17.879 1.00 0.00 O ATOM 603 CB ILE A 36 8.635 14.382 19.213 1.00 0.00 C ATOM 604 CG1 ILE A 36 9.884 14.975 19.974 1.00 0.00 C ATOM 605 CG2 ILE A 36 7.340 15.050 19.743 1.00 0.00 C ATOM 606 CD1 ILE A 36 11.251 14.652 19.393 1.00 0.00 C ATOM 0 H ILE A 36 9.603 12.510 17.524 1.00 0.00 H new ATOM 0 HA ILE A 36 8.818 12.569 20.371 1.00 0.00 H new ATOM 0 HB ILE A 36 8.738 14.605 18.151 1.00 0.00 H new ATOM 0 HG12 ILE A 36 9.777 16.059 20.011 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.858 14.617 21.003 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.422 16.132 19.645 1.00 0.00 H new ATOM 0 HG22 ILE A 36 6.486 14.697 19.165 1.00 0.00 H new ATOM 0 HG23 ILE A 36 7.200 14.791 20.792 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.025 15.116 20.005 1.00 0.00 H new ATOM 0 HD12 ILE A 36 11.396 13.572 19.382 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.314 15.037 18.375 1.00 0.00 H new ATOM 618 N PRO A 37 6.418 11.698 20.051 1.00 0.00 N ATOM 619 CA PRO A 37 5.117 10.999 19.854 1.00 0.00 C ATOM 620 C PRO A 37 3.965 11.959 19.470 1.00 0.00 C ATOM 621 O PRO A 37 4.031 13.140 19.823 1.00 0.00 O ATOM 622 CB PRO A 37 4.881 10.327 21.233 1.00 0.00 C ATOM 623 CG PRO A 37 5.559 11.231 22.207 1.00 0.00 C ATOM 624 CD PRO A 37 6.794 11.737 21.497 1.00 0.00 C ATOM 0 HA PRO A 37 5.142 10.293 19.023 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.817 10.233 21.452 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.303 9.322 21.263 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.907 12.055 22.496 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.822 10.697 23.120 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.053 12.747 21.816 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.659 11.107 21.702 1.00 0.00 H new ATOM 632 N PRO A 38 2.873 11.445 18.779 1.00 0.00 N ATOM 633 CA PRO A 38 1.730 12.270 18.260 1.00 0.00 C ATOM 634 C PRO A 38 0.999 13.102 19.333 1.00 0.00 C ATOM 635 O PRO A 38 0.185 13.969 18.994 1.00 0.00 O ATOM 636 CB PRO A 38 0.780 11.220 17.612 1.00 0.00 C ATOM 637 CG PRO A 38 1.169 9.930 18.260 1.00 0.00 C ATOM 638 CD PRO A 38 2.665 10.018 18.435 1.00 0.00 C ATOM 0 HA PRO A 38 2.089 13.030 17.566 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -0.267 11.460 17.798 1.00 0.00 H new ATOM 0 HB3 PRO A 38 0.910 11.178 16.531 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.666 9.802 19.219 1.00 0.00 H new ATOM 0 HG3 PRO A 38 0.893 9.077 17.639 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.019 9.356 19.225 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.196 9.740 17.524 1.00 0.00 H new ATOM 646 N ASP A 39 1.261 12.810 20.616 1.00 0.00 N ATOM 647 CA ASP A 39 0.723 13.611 21.729 1.00 0.00 C ATOM 648 C ASP A 39 1.568 14.884 21.925 1.00 0.00 C ATOM 649 O ASP A 39 1.028 15.985 22.006 1.00 0.00 O ATOM 650 CB ASP A 39 0.674 12.776 23.038 1.00 0.00 C ATOM 651 CG ASP A 39 -0.054 13.492 24.197 1.00 0.00 C ATOM 652 OD1 ASP A 39 -1.166 14.025 23.976 1.00 0.00 O ATOM 653 OD2 ASP A 39 0.448 13.483 25.344 1.00 0.00 O ATOM 0 H ASP A 39 1.842 12.025 20.910 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.297 13.906 21.481 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.176 11.828 22.837 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.692 12.541 23.348 1.00 0.00 H new ATOM 658 N GLN A 40 2.903 14.715 21.948 1.00 0.00 N ATOM 659 CA GLN A 40 3.858 15.812 22.240 1.00 0.00 C ATOM 660 C GLN A 40 4.045 16.725 21.024 1.00 0.00 C ATOM 661 O GLN A 40 4.372 17.900 21.168 1.00 0.00 O ATOM 662 CB GLN A 40 5.233 15.242 22.722 1.00 0.00 C ATOM 663 CG GLN A 40 5.343 15.000 24.238 1.00 0.00 C ATOM 664 CD GLN A 40 4.212 14.146 24.812 1.00 0.00 C ATOM 665 OE1 GLN A 40 3.180 14.664 25.224 1.00 0.00 O ATOM 666 NE2 GLN A 40 4.403 12.845 24.850 1.00 0.00 N ATOM 0 H GLN A 40 3.354 13.818 21.766 1.00 0.00 H new ATOM 0 HA GLN A 40 3.436 16.412 23.046 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.420 14.301 22.205 1.00 0.00 H new ATOM 0 HB3 GLN A 40 6.021 15.933 22.422 1.00 0.00 H new ATOM 0 HG2 GLN A 40 6.296 14.515 24.450 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.354 15.962 24.750 1.00 0.00 H new ATOM 0 HE21 GLN A 40 5.274 12.447 24.499 1.00 0.00 H new ATOM 0 HE22 GLN A 40 3.680 12.234 25.231 1.00 0.00 H new ATOM 675 N GLN A 41 3.863 16.165 19.837 1.00 0.00 N ATOM 676 CA GLN A 41 3.905 16.921 18.582 1.00 0.00 C ATOM 677 C GLN A 41 2.471 17.292 18.156 1.00 0.00 C ATOM 678 O GLN A 41 1.519 16.554 18.446 1.00 0.00 O ATOM 679 CB GLN A 41 4.672 16.108 17.509 1.00 0.00 C ATOM 680 CG GLN A 41 4.094 14.738 17.108 1.00 0.00 C ATOM 681 CD GLN A 41 3.124 14.804 15.930 1.00 0.00 C ATOM 682 OE1 GLN A 41 3.671 14.834 14.735 1.00 0.00 O flip ATOM 683 NE2 GLN A 41 1.908 14.879 16.095 1.00 0.00 N flip ATOM 0 H GLN A 41 3.681 15.169 19.711 1.00 0.00 H new ATOM 0 HA GLN A 41 4.448 17.857 18.714 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.742 16.720 16.610 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.689 15.952 17.868 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.915 14.067 16.855 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.581 14.304 17.966 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.519 14.852 17.037 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.289 14.968 15.290 1.00 0.00 H new ATOM 692 N ARG A 42 2.320 18.455 17.498 1.00 0.00 N ATOM 693 CA ARG A 42 1.010 18.982 17.075 1.00 0.00 C ATOM 694 C ARG A 42 1.135 19.549 15.650 1.00 0.00 C ATOM 695 O ARG A 42 2.017 20.371 15.391 1.00 0.00 O ATOM 696 CB ARG A 42 0.571 20.077 18.086 1.00 0.00 C ATOM 697 CG ARG A 42 -0.930 20.418 18.098 1.00 0.00 C ATOM 698 CD ARG A 42 -1.273 21.419 19.220 1.00 0.00 C ATOM 699 NE ARG A 42 -2.713 21.425 19.538 1.00 0.00 N ATOM 700 CZ ARG A 42 -3.284 22.079 20.566 1.00 0.00 C ATOM 701 NH1 ARG A 42 -2.565 22.861 21.370 1.00 0.00 N ATOM 702 NH2 ARG A 42 -4.588 21.942 20.786 1.00 0.00 N ATOM 0 H ARG A 42 3.104 19.057 17.244 1.00 0.00 H new ATOM 0 HA ARG A 42 0.255 18.196 17.062 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.859 19.756 19.087 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.129 20.988 17.870 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.216 20.838 17.134 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.511 19.505 18.233 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.706 21.167 20.116 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.965 22.420 18.919 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.328 20.888 18.927 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.564 22.972 21.211 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.016 23.349 22.144 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.148 21.345 20.178 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.029 22.434 21.563 1.00 0.00 H new ATOM 716 N LEU A 43 0.233 19.137 14.745 1.00 0.00 N ATOM 717 CA LEU A 43 0.312 19.487 13.307 1.00 0.00 C ATOM 718 C LEU A 43 -0.488 20.752 13.054 1.00 0.00 C ATOM 719 O LEU A 43 -1.654 20.821 13.435 1.00 0.00 O ATOM 720 CB LEU A 43 -0.229 18.331 12.402 1.00 0.00 C ATOM 721 CG LEU A 43 0.772 17.194 12.052 1.00 0.00 C ATOM 722 CD1 LEU A 43 1.987 17.751 11.274 1.00 0.00 C ATOM 723 CD2 LEU A 43 1.195 16.437 13.317 1.00 0.00 C ATOM 0 H LEU A 43 -0.570 18.554 14.982 1.00 0.00 H new ATOM 0 HA LEU A 43 1.360 19.647 13.052 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.091 17.885 12.898 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.588 18.768 11.470 1.00 0.00 H new ATOM 0 HG LEU A 43 0.273 16.479 11.398 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.673 16.937 11.040 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.645 18.214 10.349 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.500 18.494 11.884 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.895 15.646 13.050 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.675 17.127 14.011 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.316 15.999 13.790 1.00 0.00 H new ATOM 735 N ILE A 44 0.168 21.762 12.445 1.00 0.00 N ATOM 736 CA ILE A 44 -0.450 23.054 12.101 1.00 0.00 C ATOM 737 C ILE A 44 0.095 23.558 10.751 1.00 0.00 C ATOM 738 O ILE A 44 1.308 23.574 10.534 1.00 0.00 O ATOM 739 CB ILE A 44 -0.195 24.134 13.232 1.00 0.00 C ATOM 740 CG1 ILE A 44 -0.887 23.695 14.569 1.00 0.00 C ATOM 741 CG2 ILE A 44 -0.670 25.553 12.805 1.00 0.00 C ATOM 742 CD1 ILE A 44 -0.545 24.525 15.770 1.00 0.00 C ATOM 0 H ILE A 44 1.150 21.700 12.177 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.526 22.902 12.019 1.00 0.00 H new ATOM 0 HB ILE A 44 0.881 24.193 13.393 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.967 23.721 14.425 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.618 22.659 14.775 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.475 26.260 13.611 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.129 25.864 11.911 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.739 25.530 12.593 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.074 24.139 16.641 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.529 24.481 15.949 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.841 25.559 15.594 1.00 0.00 H new ATOM 754 N PHE A 45 -0.821 23.970 9.860 1.00 0.00 N ATOM 755 CA PHE A 45 -0.500 24.629 8.585 1.00 0.00 C ATOM 756 C PHE A 45 -1.457 25.809 8.424 1.00 0.00 C ATOM 757 O PHE A 45 -2.660 25.631 8.588 1.00 0.00 O ATOM 758 CB PHE A 45 -0.644 23.625 7.413 1.00 0.00 C ATOM 759 CG PHE A 45 -0.462 24.225 6.013 1.00 0.00 C ATOM 760 CD1 PHE A 45 0.814 24.475 5.499 1.00 0.00 C ATOM 761 CD2 PHE A 45 -1.566 24.523 5.204 1.00 0.00 C ATOM 762 CE1 PHE A 45 0.982 24.996 4.230 1.00 0.00 C ATOM 763 CE2 PHE A 45 -1.395 25.047 3.939 1.00 0.00 C ATOM 764 CZ PHE A 45 -0.124 25.282 3.449 1.00 0.00 C ATOM 0 H PHE A 45 -1.823 23.852 10.009 1.00 0.00 H new ATOM 0 HA PHE A 45 0.530 24.985 8.579 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.087 22.828 7.547 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.631 23.165 7.468 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.682 24.257 6.103 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.564 24.340 5.575 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.975 25.180 3.848 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.257 25.274 3.330 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.006 25.689 2.457 1.00 0.00 H new ATOM 774 N ALA A 46 -0.906 27.005 8.151 1.00 0.00 N ATOM 775 CA ALA A 46 -1.691 28.249 7.941 1.00 0.00 C ATOM 776 C ALA A 46 -2.431 28.688 9.224 1.00 0.00 C ATOM 777 O ALA A 46 -3.402 29.453 9.162 1.00 0.00 O ATOM 778 CB ALA A 46 -2.657 28.103 6.738 1.00 0.00 C ATOM 0 H ALA A 46 0.101 27.143 8.068 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.986 29.044 7.701 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.218 29.028 6.608 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.084 27.896 5.834 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.349 27.282 6.925 1.00 0.00 H new ATOM 784 N GLY A 47 -1.939 28.206 10.383 1.00 0.00 N ATOM 785 CA GLY A 47 -2.473 28.578 11.689 1.00 0.00 C ATOM 786 C GLY A 47 -3.640 27.710 12.167 1.00 0.00 C ATOM 787 O GLY A 47 -4.206 27.972 13.237 1.00 0.00 O ATOM 0 H GLY A 47 -1.160 27.549 10.429 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.671 28.523 12.425 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.801 29.617 11.651 1.00 0.00 H new ATOM 791 N LYS A 48 -4.014 26.690 11.381 1.00 0.00 N ATOM 792 CA LYS A 48 -5.090 25.742 11.749 1.00 0.00 C ATOM 793 C LYS A 48 -4.460 24.376 12.080 1.00 0.00 C ATOM 794 O LYS A 48 -3.474 23.965 11.449 1.00 0.00 O ATOM 795 CB LYS A 48 -6.123 25.631 10.588 1.00 0.00 C ATOM 796 CG LYS A 48 -5.608 24.884 9.331 1.00 0.00 C ATOM 797 CD LYS A 48 -6.352 25.240 8.030 1.00 0.00 C ATOM 798 CE LYS A 48 -6.143 26.697 7.604 1.00 0.00 C ATOM 799 NZ LYS A 48 -6.873 27.005 6.351 1.00 0.00 N ATOM 0 H LYS A 48 -3.586 26.495 10.476 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.624 26.101 12.629 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.012 25.120 10.958 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.431 26.635 10.296 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.548 25.104 9.201 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.692 23.811 9.501 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.013 24.581 7.231 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.418 25.055 8.165 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.483 27.362 8.398 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.079 26.887 7.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.320 27.680 5.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.014 26.130 5.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.797 27.422 6.581 1.00 0.00 H new ATOM 813 N GLN A 49 -5.014 23.699 13.091 1.00 0.00 N ATOM 814 CA GLN A 49 -4.551 22.373 13.514 1.00 0.00 C ATOM 815 C GLN A 49 -5.057 21.299 12.534 1.00 0.00 C ATOM 816 O GLN A 49 -6.262 21.221 12.245 1.00 0.00 O ATOM 817 CB GLN A 49 -5.018 22.066 14.957 1.00 0.00 C ATOM 818 CG GLN A 49 -4.540 20.703 15.510 1.00 0.00 C ATOM 819 CD GLN A 49 -5.003 20.398 16.939 1.00 0.00 C ATOM 820 OE1 GLN A 49 -4.311 19.708 17.681 1.00 0.00 O ATOM 821 NE2 GLN A 49 -6.187 20.871 17.327 1.00 0.00 N ATOM 0 H GLN A 49 -5.797 24.055 13.640 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.461 22.364 13.505 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.661 22.857 15.617 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.107 22.094 14.986 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.896 19.912 14.850 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.451 20.675 15.481 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.742 21.442 16.690 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.538 20.662 18.261 1.00 0.00 H new ATOM 830 N LEU A 50 -4.123 20.491 12.012 1.00 0.00 N ATOM 831 CA LEU A 50 -4.423 19.453 11.029 1.00 0.00 C ATOM 832 C LEU A 50 -5.044 18.226 11.719 1.00 0.00 C ATOM 833 O LEU A 50 -4.401 17.610 12.581 1.00 0.00 O ATOM 834 CB LEU A 50 -3.150 19.050 10.248 1.00 0.00 C ATOM 835 CG LEU A 50 -2.248 20.214 9.726 1.00 0.00 C ATOM 836 CD1 LEU A 50 -1.108 19.660 8.867 1.00 0.00 C ATOM 837 CD2 LEU A 50 -3.059 21.300 8.982 1.00 0.00 C ATOM 0 H LEU A 50 -3.136 20.543 12.264 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.144 19.854 10.317 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.544 18.412 10.892 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.453 18.445 9.393 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.811 20.709 10.593 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.488 20.483 8.510 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.500 18.980 9.464 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.523 19.123 8.014 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.386 22.086 8.639 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.563 20.854 8.124 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.801 21.726 9.657 1.00 0.00 H new ATOM 849 N GLU A 51 -6.278 17.883 11.324 1.00 0.00 N ATOM 850 CA GLU A 51 -7.028 16.772 11.911 1.00 0.00 C ATOM 851 C GLU A 51 -6.462 15.446 11.401 1.00 0.00 C ATOM 852 O GLU A 51 -6.208 15.305 10.200 1.00 0.00 O ATOM 853 CB GLU A 51 -8.526 16.895 11.542 1.00 0.00 C ATOM 854 CG GLU A 51 -9.402 15.715 12.024 1.00 0.00 C ATOM 855 CD GLU A 51 -10.859 15.813 11.570 1.00 0.00 C ATOM 856 OE1 GLU A 51 -11.679 16.429 12.278 1.00 0.00 O ATOM 857 OE2 GLU A 51 -11.193 15.262 10.506 1.00 0.00 O ATOM 0 H GLU A 51 -6.783 18.372 10.585 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.933 16.804 12.996 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.918 17.819 11.967 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.615 16.979 10.459 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.976 14.782 11.655 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.371 15.670 13.113 1.00 0.00 H new ATOM 864 N ASP A 52 -6.344 14.474 12.312 1.00 0.00 N ATOM 865 CA ASP A 52 -5.712 13.176 12.041 1.00 0.00 C ATOM 866 C ASP A 52 -6.447 12.394 10.928 1.00 0.00 C ATOM 867 O ASP A 52 -5.802 11.804 10.059 1.00 0.00 O ATOM 868 CB ASP A 52 -5.634 12.351 13.347 1.00 0.00 C ATOM 869 CG ASP A 52 -7.009 11.983 13.940 1.00 0.00 C ATOM 870 OD1 ASP A 52 -7.742 12.903 14.371 1.00 0.00 O ATOM 871 OD2 ASP A 52 -7.378 10.794 13.947 1.00 0.00 O ATOM 0 H ASP A 52 -6.688 14.566 13.268 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.702 13.360 11.676 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.077 11.435 13.153 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.070 12.916 14.089 1.00 0.00 H new ATOM 876 N GLY A 53 -7.796 12.452 10.948 1.00 0.00 N ATOM 877 CA GLY A 53 -8.637 11.759 9.966 1.00 0.00 C ATOM 878 C GLY A 53 -8.531 12.343 8.557 1.00 0.00 C ATOM 879 O GLY A 53 -8.730 11.627 7.568 1.00 0.00 O ATOM 0 H GLY A 53 -8.324 12.979 11.644 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -8.357 10.706 9.937 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.676 11.803 10.293 1.00 0.00 H new ATOM 883 N ARG A 54 -8.203 13.648 8.463 1.00 0.00 N ATOM 884 CA ARG A 54 -8.053 14.355 7.172 1.00 0.00 C ATOM 885 C ARG A 54 -6.718 14.028 6.492 1.00 0.00 C ATOM 886 O ARG A 54 -5.898 13.292 7.038 1.00 0.00 O ATOM 887 CB ARG A 54 -8.199 15.878 7.386 1.00 0.00 C ATOM 888 CG ARG A 54 -9.621 16.302 7.800 1.00 0.00 C ATOM 889 CD ARG A 54 -9.791 17.819 7.897 1.00 0.00 C ATOM 890 NE ARG A 54 -11.185 18.199 8.162 1.00 0.00 N ATOM 891 CZ ARG A 54 -11.590 19.385 8.644 1.00 0.00 C ATOM 892 NH1 ARG A 54 -10.721 20.287 9.075 1.00 0.00 N ATOM 893 NH2 ARG A 54 -12.875 19.646 8.714 1.00 0.00 N ATOM 0 H ARG A 54 -8.035 14.241 9.276 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.844 14.009 6.506 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.494 16.199 8.153 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -7.927 16.395 6.466 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.336 15.908 7.078 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -9.861 15.853 8.764 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -9.152 18.206 8.691 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -9.459 18.282 6.967 1.00 0.00 H new ATOM 0 HE ARG A 54 -11.905 17.504 7.963 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -9.721 20.087 9.045 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -11.052 21.181 9.437 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -13.554 18.951 8.404 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -13.194 20.544 9.078 1.00 0.00 H new ATOM 907 N THR A 55 -6.528 14.576 5.280 1.00 0.00 N ATOM 908 CA THR A 55 -5.290 14.402 4.493 1.00 0.00 C ATOM 909 C THR A 55 -4.523 15.722 4.438 1.00 0.00 C ATOM 910 O THR A 55 -5.077 16.781 4.779 1.00 0.00 O ATOM 911 CB THR A 55 -5.584 13.920 3.029 1.00 0.00 C ATOM 912 OG1 THR A 55 -6.454 14.848 2.361 1.00 0.00 O ATOM 913 CG2 THR A 55 -6.202 12.518 2.995 1.00 0.00 C ATOM 0 H THR A 55 -7.228 15.154 4.815 1.00 0.00 H new ATOM 0 HA THR A 55 -4.695 13.635 4.989 1.00 0.00 H new ATOM 0 HB THR A 55 -4.627 13.875 2.509 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.627 14.535 1.449 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.388 12.227 1.961 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.516 11.807 3.454 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.143 12.522 3.546 1.00 0.00 H new ATOM 921 N LEU A 56 -3.254 15.645 3.985 1.00 0.00 N ATOM 922 CA LEU A 56 -2.429 16.837 3.720 1.00 0.00 C ATOM 923 C LEU A 56 -3.154 17.706 2.682 1.00 0.00 C ATOM 924 O LEU A 56 -3.420 18.887 2.913 1.00 0.00 O ATOM 925 CB LEU A 56 -1.015 16.435 3.200 1.00 0.00 C ATOM 926 CG LEU A 56 -0.033 15.786 4.231 1.00 0.00 C ATOM 927 CD1 LEU A 56 1.228 15.234 3.524 1.00 0.00 C ATOM 928 CD2 LEU A 56 0.370 16.797 5.341 1.00 0.00 C ATOM 0 H LEU A 56 -2.778 14.763 3.795 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.289 17.396 4.645 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.145 15.738 2.372 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.538 17.327 2.794 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.557 14.955 4.702 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.894 14.788 4.263 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.935 14.477 2.796 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.744 16.047 3.014 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.053 16.316 6.041 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.862 17.658 4.888 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.522 17.128 5.873 1.00 0.00 H new ATOM 940 N SER A 57 -3.536 17.047 1.577 1.00 0.00 N ATOM 941 CA SER A 57 -4.224 17.660 0.439 1.00 0.00 C ATOM 942 C SER A 57 -5.571 18.301 0.826 1.00 0.00 C ATOM 943 O SER A 57 -6.014 19.246 0.166 1.00 0.00 O ATOM 944 CB SER A 57 -4.417 16.601 -0.663 1.00 0.00 C ATOM 945 OG SER A 57 -3.184 16.255 -1.254 1.00 0.00 O ATOM 0 H SER A 57 -3.369 16.049 1.451 1.00 0.00 H new ATOM 0 HA SER A 57 -3.600 18.474 0.070 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.884 15.712 -0.240 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.095 16.984 -1.426 1.00 0.00 H new ATOM 0 HG SER A 57 -2.638 17.061 -1.366 1.00 0.00 H new ATOM 951 N ASP A 58 -6.201 17.800 1.909 1.00 0.00 N ATOM 952 CA ASP A 58 -7.492 18.337 2.401 1.00 0.00 C ATOM 953 C ASP A 58 -7.287 19.744 2.994 1.00 0.00 C ATOM 954 O ASP A 58 -8.152 20.621 2.872 1.00 0.00 O ATOM 955 CB ASP A 58 -8.121 17.382 3.448 1.00 0.00 C ATOM 956 CG ASP A 58 -9.569 17.752 3.806 1.00 0.00 C ATOM 957 OD1 ASP A 58 -10.499 17.288 3.118 1.00 0.00 O ATOM 958 OD2 ASP A 58 -9.793 18.523 4.752 1.00 0.00 O ATOM 0 H ASP A 58 -5.838 17.023 2.462 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.182 18.412 1.561 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.097 16.363 3.062 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.514 17.394 4.353 1.00 0.00 H new ATOM 963 N TYR A 59 -6.110 19.945 3.618 1.00 0.00 N ATOM 964 CA TYR A 59 -5.689 21.243 4.173 1.00 0.00 C ATOM 965 C TYR A 59 -4.860 22.063 3.152 1.00 0.00 C ATOM 966 O TYR A 59 -4.192 23.027 3.543 1.00 0.00 O ATOM 967 CB TYR A 59 -4.883 21.012 5.474 1.00 0.00 C ATOM 968 CG TYR A 59 -5.748 20.709 6.691 1.00 0.00 C ATOM 969 CD1 TYR A 59 -6.420 21.745 7.342 1.00 0.00 C ATOM 970 CD2 TYR A 59 -5.885 19.421 7.201 1.00 0.00 C ATOM 971 CE1 TYR A 59 -7.193 21.512 8.451 1.00 0.00 C ATOM 972 CE2 TYR A 59 -6.663 19.189 8.307 1.00 0.00 C ATOM 973 CZ TYR A 59 -7.314 20.239 8.932 1.00 0.00 C ATOM 974 OH TYR A 59 -8.077 20.009 10.055 1.00 0.00 O ATOM 0 H TYR A 59 -5.421 19.205 3.751 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.583 21.825 4.399 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.190 20.185 5.318 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.282 21.898 5.679 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.329 22.753 6.964 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.375 18.598 6.722 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.702 22.329 8.940 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -6.768 18.185 8.691 1.00 0.00 H new ATOM 0 HH TYR A 59 -7.616 20.366 10.843 1.00 0.00 H new ATOM 984 N ASN A 60 -4.921 21.668 1.855 1.00 0.00 N ATOM 985 CA ASN A 60 -4.235 22.367 0.733 1.00 0.00 C ATOM 986 C ASN A 60 -2.696 22.260 0.850 1.00 0.00 C ATOM 987 O ASN A 60 -1.956 23.133 0.384 1.00 0.00 O ATOM 988 CB ASN A 60 -4.708 23.852 0.625 1.00 0.00 C ATOM 989 CG ASN A 60 -6.200 23.988 0.313 1.00 0.00 C ATOM 990 OD1 ASN A 60 -6.594 24.114 -0.849 1.00 0.00 O ATOM 991 ND2 ASN A 60 -7.038 23.948 1.340 1.00 0.00 N ATOM 0 H ASN A 60 -5.451 20.850 1.554 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.517 21.865 -0.193 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.491 24.365 1.562 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.133 24.354 -0.153 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.043 24.022 1.181 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.678 23.843 2.288 1.00 0.00 H new ATOM 998 N ILE A 61 -2.233 21.152 1.449 1.00 0.00 N ATOM 999 CA ILE A 61 -0.802 20.806 1.574 1.00 0.00 C ATOM 1000 C ILE A 61 -0.475 19.757 0.501 1.00 0.00 C ATOM 1001 O ILE A 61 -1.051 18.659 0.503 1.00 0.00 O ATOM 1002 CB ILE A 61 -0.487 20.197 2.994 1.00 0.00 C ATOM 1003 CG1 ILE A 61 -1.107 21.071 4.125 1.00 0.00 C ATOM 1004 CG2 ILE A 61 1.037 19.990 3.220 1.00 0.00 C ATOM 1005 CD1 ILE A 61 -1.339 20.336 5.430 1.00 0.00 C ATOM 0 H ILE A 61 -2.850 20.457 1.869 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.202 21.707 1.447 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.950 19.211 3.029 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.450 21.920 4.313 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.057 21.474 3.776 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.204 19.569 4.211 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.427 19.307 2.465 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.550 20.949 3.142 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.772 21.019 6.160 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.022 19.503 5.262 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.390 19.956 5.807 1.00 0.00 H new ATOM 1017 N GLN A 62 0.422 20.093 -0.415 1.00 0.00 N ATOM 1018 CA GLN A 62 0.891 19.148 -1.442 1.00 0.00 C ATOM 1019 C GLN A 62 2.285 18.627 -1.059 1.00 0.00 C ATOM 1020 O GLN A 62 2.803 18.929 0.030 1.00 0.00 O ATOM 1021 CB GLN A 62 0.897 19.814 -2.850 1.00 0.00 C ATOM 1022 CG GLN A 62 1.884 20.984 -3.028 1.00 0.00 C ATOM 1023 CD GLN A 62 2.017 21.437 -4.483 1.00 0.00 C ATOM 1024 OE1 GLN A 62 1.284 22.307 -4.950 1.00 0.00 O ATOM 1025 NE2 GLN A 62 2.941 20.832 -5.208 1.00 0.00 N ATOM 0 H GLN A 62 0.848 21.018 -0.475 1.00 0.00 H new ATOM 0 HA GLN A 62 0.205 18.302 -1.492 1.00 0.00 H new ATOM 0 HB2 GLN A 62 1.129 19.050 -3.593 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.109 20.174 -3.066 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.554 21.826 -2.420 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.864 20.686 -2.655 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.531 20.115 -4.787 1.00 0.00 H new ATOM 0 HE22 GLN A 62 3.064 21.082 -6.189 1.00 0.00 H new ATOM 1034 N LYS A 63 2.870 17.820 -1.949 1.00 0.00 N ATOM 1035 CA LYS A 63 4.265 17.374 -1.832 1.00 0.00 C ATOM 1036 C LYS A 63 5.212 18.595 -1.790 1.00 0.00 C ATOM 1037 O LYS A 63 4.953 19.615 -2.451 1.00 0.00 O ATOM 1038 CB LYS A 63 4.618 16.434 -3.013 1.00 0.00 C ATOM 1039 CG LYS A 63 4.507 17.092 -4.415 1.00 0.00 C ATOM 1040 CD LYS A 63 4.694 16.097 -5.577 1.00 0.00 C ATOM 1041 CE LYS A 63 6.047 15.374 -5.545 1.00 0.00 C ATOM 1042 NZ LYS A 63 6.196 14.449 -6.694 1.00 0.00 N ATOM 0 H LYS A 63 2.391 17.456 -2.773 1.00 0.00 H new ATOM 0 HA LYS A 63 4.390 16.818 -0.903 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.635 16.067 -2.877 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.959 15.566 -2.980 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.531 17.568 -4.508 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.255 17.880 -4.498 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.894 15.357 -5.545 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.597 16.631 -6.522 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.853 16.108 -5.560 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.141 14.816 -4.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.110 13.467 -6.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.453 14.644 -7.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.130 14.586 -7.131 1.00 0.00 H new ATOM 1056 N GLU A 64 6.255 18.483 -0.948 1.00 0.00 N ATOM 1057 CA GLU A 64 7.318 19.489 -0.762 1.00 0.00 C ATOM 1058 C GLU A 64 6.828 20.739 0.006 1.00 0.00 C ATOM 1059 O GLU A 64 7.622 21.659 0.234 1.00 0.00 O ATOM 1060 CB GLU A 64 7.984 19.894 -2.116 1.00 0.00 C ATOM 1061 CG GLU A 64 8.563 18.728 -2.951 1.00 0.00 C ATOM 1062 CD GLU A 64 9.705 17.982 -2.245 1.00 0.00 C ATOM 1063 OE1 GLU A 64 10.792 18.577 -2.076 1.00 0.00 O ATOM 1064 OE2 GLU A 64 9.545 16.793 -1.890 1.00 0.00 O ATOM 0 H GLU A 64 6.386 17.662 -0.358 1.00 0.00 H new ATOM 0 HA GLU A 64 8.078 19.010 -0.145 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.245 20.419 -2.721 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.786 20.602 -1.908 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.764 18.022 -3.179 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.926 19.117 -3.902 1.00 0.00 H new ATOM 1071 N SER A 65 5.530 20.775 0.417 1.00 0.00 N ATOM 1072 CA SER A 65 4.978 21.912 1.175 1.00 0.00 C ATOM 1073 C SER A 65 5.495 21.903 2.620 1.00 0.00 C ATOM 1074 O SER A 65 5.583 20.843 3.259 1.00 0.00 O ATOM 1075 CB SER A 65 3.434 21.881 1.155 1.00 0.00 C ATOM 1076 OG SER A 65 2.932 21.964 -0.168 1.00 0.00 O ATOM 0 H SER A 65 4.858 20.030 0.233 1.00 0.00 H new ATOM 0 HA SER A 65 5.311 22.833 0.697 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.081 20.962 1.623 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.044 22.710 1.746 1.00 0.00 H new ATOM 0 HG SER A 65 2.141 22.542 -0.182 1.00 0.00 H new ATOM 1082 N THR A 66 5.858 23.093 3.109 1.00 0.00 N ATOM 1083 CA THR A 66 6.345 23.286 4.470 1.00 0.00 C ATOM 1084 C THR A 66 5.183 23.719 5.386 1.00 0.00 C ATOM 1085 O THR A 66 4.344 24.539 5.007 1.00 0.00 O ATOM 1086 CB THR A 66 7.495 24.343 4.506 1.00 0.00 C ATOM 1087 OG1 THR A 66 8.460 24.039 3.481 1.00 0.00 O ATOM 1088 CG2 THR A 66 8.221 24.374 5.866 1.00 0.00 C ATOM 0 H THR A 66 5.820 23.954 2.563 1.00 0.00 H new ATOM 0 HA THR A 66 6.748 22.340 4.832 1.00 0.00 H new ATOM 0 HB THR A 66 7.039 25.319 4.340 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.180 24.703 3.503 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.011 25.124 5.840 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.509 24.624 6.653 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.657 23.396 6.068 1.00 0.00 H new ATOM 1096 N LEU A 67 5.144 23.130 6.576 1.00 0.00 N ATOM 1097 CA LEU A 67 4.156 23.415 7.623 1.00 0.00 C ATOM 1098 C LEU A 67 4.873 23.426 8.976 1.00 0.00 C ATOM 1099 O LEU A 67 6.072 23.150 9.047 1.00 0.00 O ATOM 1100 CB LEU A 67 2.992 22.376 7.611 1.00 0.00 C ATOM 1101 CG LEU A 67 3.389 20.856 7.645 1.00 0.00 C ATOM 1102 CD1 LEU A 67 2.250 19.992 8.222 1.00 0.00 C ATOM 1103 CD2 LEU A 67 3.794 20.329 6.238 1.00 0.00 C ATOM 0 H LEU A 67 5.819 22.417 6.852 1.00 0.00 H new ATOM 0 HA LEU A 67 3.704 24.389 7.437 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.350 22.577 8.469 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.393 22.549 6.717 1.00 0.00 H new ATOM 0 HG LEU A 67 4.257 20.775 8.300 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.556 18.946 8.232 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.028 20.315 9.239 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.360 20.104 7.603 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.061 19.274 6.307 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.957 20.447 5.550 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.649 20.896 5.869 1.00 0.00 H new ATOM 1115 N HIS A 68 4.148 23.782 10.044 1.00 0.00 N ATOM 1116 CA HIS A 68 4.711 23.863 11.410 1.00 0.00 C ATOM 1117 C HIS A 68 4.338 22.643 12.264 1.00 0.00 C ATOM 1118 O HIS A 68 3.356 21.932 11.997 1.00 0.00 O ATOM 1119 CB HIS A 68 4.274 25.172 12.109 1.00 0.00 C ATOM 1120 CG HIS A 68 4.908 26.408 11.521 1.00 0.00 C ATOM 1121 ND1 HIS A 68 4.180 27.464 11.021 1.00 0.00 N ATOM 1122 CD2 HIS A 68 6.216 26.759 11.385 1.00 0.00 C ATOM 1123 CE1 HIS A 68 5.004 28.404 10.611 1.00 0.00 C ATOM 1124 NE2 HIS A 68 6.240 28.002 10.815 1.00 0.00 N ATOM 0 H HIS A 68 3.158 24.022 9.993 1.00 0.00 H new ATOM 0 HA HIS A 68 5.796 23.867 11.308 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.190 25.264 12.046 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.527 25.112 13.167 1.00 0.00 H new ATOM 0 HD2 HIS A 68 7.073 26.168 11.673 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.714 29.350 10.178 1.00 0.00 H new ATOM 0 HE2 HIS A 68 7.081 28.532 10.585 1.00 0.00 H new ATOM 1133 N LEU A 69 5.158 22.437 13.306 1.00 0.00 N ATOM 1134 CA LEU A 69 5.038 21.343 14.261 1.00 0.00 C ATOM 1135 C LEU A 69 5.307 21.925 15.654 1.00 0.00 C ATOM 1136 O LEU A 69 6.342 22.566 15.871 1.00 0.00 O ATOM 1137 CB LEU A 69 6.065 20.228 13.885 1.00 0.00 C ATOM 1138 CG LEU A 69 5.895 18.802 14.522 1.00 0.00 C ATOM 1139 CD1 LEU A 69 6.282 18.772 16.009 1.00 0.00 C ATOM 1140 CD2 LEU A 69 4.464 18.256 14.301 1.00 0.00 C ATOM 0 H LEU A 69 5.947 23.052 13.507 1.00 0.00 H new ATOM 0 HA LEU A 69 4.046 20.892 14.248 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.044 20.111 12.802 1.00 0.00 H new ATOM 0 HB3 LEU A 69 7.059 20.591 14.147 1.00 0.00 H new ATOM 0 HG LEU A 69 6.591 18.142 14.005 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.146 17.764 16.400 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.326 19.066 16.119 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.649 19.465 16.564 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.378 17.268 14.753 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.742 18.930 14.762 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.263 18.185 13.232 1.00 0.00 H new ATOM 1152 N VAL A 70 4.369 21.711 16.578 1.00 0.00 N ATOM 1153 CA VAL A 70 4.476 22.189 17.958 1.00 0.00 C ATOM 1154 C VAL A 70 4.931 21.059 18.873 1.00 0.00 C ATOM 1155 O VAL A 70 4.265 20.031 18.973 1.00 0.00 O ATOM 1156 CB VAL A 70 3.124 22.782 18.476 1.00 0.00 C ATOM 1157 CG1 VAL A 70 3.214 23.182 19.979 1.00 0.00 C ATOM 1158 CG2 VAL A 70 2.691 23.968 17.583 1.00 0.00 C ATOM 0 H VAL A 70 3.508 21.198 16.389 1.00 0.00 H new ATOM 0 HA VAL A 70 5.217 22.988 17.970 1.00 0.00 H new ATOM 0 HB VAL A 70 2.356 22.011 18.409 1.00 0.00 H new ATOM 0 HG11 VAL A 70 2.257 23.590 20.305 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.456 22.302 20.576 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.992 23.934 20.109 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.749 24.375 17.950 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.457 24.743 17.611 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.562 23.623 16.557 1.00 0.00 H new ATOM 1168 N LEU A 71 6.070 21.283 19.526 1.00 0.00 N ATOM 1169 CA LEU A 71 6.612 20.384 20.544 1.00 0.00 C ATOM 1170 C LEU A 71 6.061 20.773 21.937 1.00 0.00 C ATOM 1171 O LEU A 71 5.910 21.963 22.237 1.00 0.00 O ATOM 1172 CB LEU A 71 8.152 20.459 20.510 1.00 0.00 C ATOM 1173 CG LEU A 71 8.839 20.034 19.175 1.00 0.00 C ATOM 1174 CD1 LEU A 71 10.371 20.248 19.233 1.00 0.00 C ATOM 1175 CD2 LEU A 71 8.498 18.566 18.823 1.00 0.00 C ATOM 0 H LEU A 71 6.650 22.105 19.361 1.00 0.00 H new ATOM 0 HA LEU A 71 6.307 19.358 20.340 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.449 21.483 20.736 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.542 19.830 21.310 1.00 0.00 H new ATOM 0 HG LEU A 71 8.448 20.673 18.384 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.817 19.942 18.287 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.585 21.302 19.411 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.791 19.651 20.042 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.988 18.293 17.889 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.846 17.910 19.621 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.419 18.460 18.711 1.00 0.00 H new ATOM 1187 N ARG A 72 5.738 19.751 22.760 1.00 0.00 N ATOM 1188 CA ARG A 72 5.136 19.928 24.113 1.00 0.00 C ATOM 1189 C ARG A 72 6.044 19.345 25.216 1.00 0.00 C ATOM 1190 O ARG A 72 5.964 19.789 26.364 1.00 0.00 O ATOM 1191 CB ARG A 72 3.746 19.234 24.167 1.00 0.00 C ATOM 1192 CG ARG A 72 2.685 19.831 23.208 1.00 0.00 C ATOM 1193 CD ARG A 72 1.381 19.005 23.191 1.00 0.00 C ATOM 1194 NE ARG A 72 0.757 18.929 24.525 1.00 0.00 N ATOM 1195 CZ ARG A 72 -0.115 17.988 24.936 1.00 0.00 C ATOM 1196 NH1 ARG A 72 -0.418 16.947 24.173 1.00 0.00 N ATOM 1197 NH2 ARG A 72 -0.680 18.106 26.124 1.00 0.00 N ATOM 0 H ARG A 72 5.886 18.773 22.509 1.00 0.00 H new ATOM 0 HA ARG A 72 5.025 20.997 24.292 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.874 18.177 23.933 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.366 19.291 25.187 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.461 20.854 23.509 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.096 19.879 22.199 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.678 19.451 22.487 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.595 17.998 22.833 1.00 0.00 H new ATOM 0 HE ARG A 72 1.008 19.654 25.197 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.012 16.846 23.254 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -1.081 16.247 24.505 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.454 18.903 26.719 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.342 17.400 26.446 1.00 0.00 H new ATOM 1211 N LEU A 73 6.842 18.313 24.847 1.00 0.00 N ATOM 1212 CA LEU A 73 7.827 17.614 25.729 1.00 0.00 C ATOM 1213 C LEU A 73 7.286 17.289 27.142 1.00 0.00 C ATOM 1214 O LEU A 73 7.978 17.488 28.155 1.00 0.00 O ATOM 1215 CB LEU A 73 9.194 18.375 25.806 1.00 0.00 C ATOM 1216 CG LEU A 73 10.110 18.325 24.533 1.00 0.00 C ATOM 1217 CD1 LEU A 73 10.393 16.877 24.068 1.00 0.00 C ATOM 1218 CD2 LEU A 73 9.551 19.186 23.397 1.00 0.00 C ATOM 0 H LEU A 73 6.823 17.928 23.903 1.00 0.00 H new ATOM 0 HA LEU A 73 8.002 16.652 25.247 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.987 19.421 26.034 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.759 17.972 26.646 1.00 0.00 H new ATOM 0 HG LEU A 73 11.070 18.753 24.823 1.00 0.00 H new ATOM 0 HD11 LEU A 73 11.031 16.897 23.184 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.895 16.330 24.866 1.00 0.00 H new ATOM 0 HD13 LEU A 73 9.452 16.382 23.826 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.214 19.125 22.534 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.561 18.825 23.120 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.480 20.222 23.727 1.00 0.00 H new ATOM 1230 N ARG A 74 6.063 16.741 27.187 1.00 0.00 N ATOM 1231 CA ARG A 74 5.433 16.265 28.438 1.00 0.00 C ATOM 1232 C ARG A 74 6.195 15.059 29.040 1.00 0.00 C ATOM 1233 O ARG A 74 6.099 14.796 30.241 1.00 0.00 O ATOM 1234 CB ARG A 74 3.952 15.904 28.170 1.00 0.00 C ATOM 1235 CG ARG A 74 3.098 17.083 27.651 1.00 0.00 C ATOM 1236 CD ARG A 74 3.030 18.238 28.664 1.00 0.00 C ATOM 1237 NE ARG A 74 2.151 19.323 28.202 1.00 0.00 N ATOM 1238 CZ ARG A 74 0.868 19.482 28.549 1.00 0.00 C ATOM 1239 NH1 ARG A 74 0.232 18.556 29.261 1.00 0.00 N ATOM 1240 NH2 ARG A 74 0.209 20.557 28.138 1.00 0.00 N ATOM 0 H ARG A 74 5.479 16.613 26.361 1.00 0.00 H new ATOM 0 HA ARG A 74 5.478 17.069 29.172 1.00 0.00 H new ATOM 0 HB2 ARG A 74 3.913 15.093 27.442 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.509 15.527 29.092 1.00 0.00 H new ATOM 0 HG2 ARG A 74 3.517 17.448 26.713 1.00 0.00 H new ATOM 0 HG3 ARG A 74 2.089 16.732 27.434 1.00 0.00 H new ATOM 0 HD2 ARG A 74 2.669 17.861 29.621 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.032 18.631 28.834 1.00 0.00 H new ATOM 0 HE ARG A 74 2.552 20.011 27.565 1.00 0.00 H new ATOM 0 HH11 ARG A 74 0.722 17.710 29.551 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -0.746 18.692 29.517 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.680 21.255 27.562 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -0.769 20.686 28.398 1.00 0.00 H new ATOM 1254 N GLY A 75 6.943 14.338 28.183 1.00 0.00 N ATOM 1255 CA GLY A 75 7.816 13.238 28.612 1.00 0.00 C ATOM 1256 C GLY A 75 9.292 13.644 28.680 1.00 0.00 C ATOM 1257 O GLY A 75 10.114 12.904 29.226 1.00 0.00 O ATOM 0 H GLY A 75 6.956 14.504 27.177 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.495 12.887 29.593 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.705 12.402 27.922 1.00 0.00 H new ATOM 1261 N GLY A 76 9.624 14.832 28.125 1.00 0.00 N ATOM 1262 CA GLY A 76 11.006 15.328 28.052 1.00 0.00 C ATOM 1263 C GLY A 76 11.782 14.759 26.864 1.00 0.00 C ATOM 1264 O GLY A 76 11.308 13.838 26.182 1.00 0.00 O ATOM 0 H GLY A 76 8.939 15.468 27.718 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.993 16.416 27.983 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.527 15.073 28.975 1.00 0.00 H new TER 1268 GLY A 76 ATOM 1269 N GLY B 195 18.062 17.718 26.035 1.00 0.00 N ATOM 1270 CA GLY B 195 18.116 18.645 27.173 1.00 0.00 C ATOM 1271 C GLY B 195 16.821 19.411 27.366 1.00 0.00 C ATOM 1272 O GLY B 195 16.822 20.488 27.985 1.00 0.00 O ATOM 0 HA2 GLY B 195 18.342 18.086 28.081 1.00 0.00 H new ATOM 0 HA3 GLY B 195 18.932 19.351 27.022 1.00 0.00 H new ATOM 1276 N SER B 196 15.710 18.857 26.832 1.00 0.00 N ATOM 1277 CA SER B 196 14.357 19.400 27.026 1.00 0.00 C ATOM 1278 C SER B 196 13.852 19.061 28.447 1.00 0.00 C ATOM 1279 O SER B 196 13.110 18.088 28.660 1.00 0.00 O ATOM 1280 CB SER B 196 13.406 18.856 25.933 1.00 0.00 C ATOM 1281 OG SER B 196 13.827 19.251 24.630 1.00 0.00 O ATOM 0 H SER B 196 15.732 18.018 26.253 1.00 0.00 H new ATOM 0 HA SER B 196 14.382 20.486 26.932 1.00 0.00 H new ATOM 0 HB2 SER B 196 13.369 17.768 25.990 1.00 0.00 H new ATOM 0 HB3 SER B 196 12.395 19.219 26.115 1.00 0.00 H new ATOM 0 HG SER B 196 13.207 18.890 23.962 1.00 0.00 H new ATOM 1287 N ARG B 197 14.352 19.840 29.419 1.00 0.00 N ATOM 1288 CA ARG B 197 14.031 19.715 30.855 1.00 0.00 C ATOM 1289 C ARG B 197 13.749 21.104 31.455 1.00 0.00 C ATOM 1290 O ARG B 197 13.528 21.233 32.662 1.00 0.00 O ATOM 1291 CB ARG B 197 15.220 19.033 31.608 1.00 0.00 C ATOM 1292 CG ARG B 197 15.436 17.541 31.267 1.00 0.00 C ATOM 1293 CD ARG B 197 14.261 16.653 31.725 1.00 0.00 C ATOM 1294 NE ARG B 197 14.143 16.623 33.189 1.00 0.00 N ATOM 1295 CZ ARG B 197 13.208 15.954 33.879 1.00 0.00 C ATOM 1296 NH1 ARG B 197 12.223 15.306 33.262 1.00 0.00 N ATOM 1297 NH2 ARG B 197 13.250 15.957 35.200 1.00 0.00 N ATOM 0 H ARG B 197 15.009 20.596 29.226 1.00 0.00 H new ATOM 0 HA ARG B 197 13.140 19.097 30.968 1.00 0.00 H new ATOM 0 HB2 ARG B 197 16.136 19.579 31.381 1.00 0.00 H new ATOM 0 HB3 ARG B 197 15.052 19.125 32.681 1.00 0.00 H new ATOM 0 HG2 ARG B 197 15.570 17.434 30.191 1.00 0.00 H new ATOM 0 HG3 ARG B 197 16.355 17.193 31.739 1.00 0.00 H new ATOM 0 HD2 ARG B 197 13.333 17.026 31.292 1.00 0.00 H new ATOM 0 HD3 ARG B 197 14.403 15.639 31.350 1.00 0.00 H new ATOM 0 HE ARG B 197 14.829 17.155 33.725 1.00 0.00 H new ATOM 0 HH11 ARG B 197 12.168 15.312 32.243 1.00 0.00 H new ATOM 0 HH12 ARG B 197 11.523 14.804 33.808 1.00 0.00 H new ATOM 0 HH21 ARG B 197 13.989 16.465 35.686 1.00 0.00 H new ATOM 0 HH22 ARG B 197 12.543 15.451 35.734 1.00 0.00 H new ATOM 1311 N GLN B 198 13.711 22.130 30.587 1.00 0.00 N ATOM 1312 CA GLN B 198 13.610 23.544 30.995 1.00 0.00 C ATOM 1313 C GLN B 198 12.543 24.272 30.157 1.00 0.00 C ATOM 1314 O GLN B 198 11.960 23.690 29.229 1.00 0.00 O ATOM 1315 CB GLN B 198 14.997 24.233 30.841 1.00 0.00 C ATOM 1316 CG GLN B 198 15.570 24.218 29.402 1.00 0.00 C ATOM 1317 CD GLN B 198 16.998 24.769 29.283 1.00 0.00 C ATOM 1318 OE1 GLN B 198 17.844 24.516 30.274 1.00 0.00 O flip ATOM 1319 NE2 GLN B 198 17.355 25.379 28.277 1.00 0.00 N flip ATOM 0 H GLN B 198 13.750 22.002 29.576 1.00 0.00 H new ATOM 0 HA GLN B 198 13.307 23.593 32.041 1.00 0.00 H new ATOM 0 HB2 GLN B 198 14.913 25.268 31.173 1.00 0.00 H new ATOM 0 HB3 GLN B 198 15.708 23.742 31.506 1.00 0.00 H new ATOM 0 HG2 GLN B 198 15.556 23.194 29.029 1.00 0.00 H new ATOM 0 HG3 GLN B 198 14.913 24.801 28.756 1.00 0.00 H new ATOM 0 HE21 GLN B 198 16.687 25.562 27.528 1.00 0.00 H new ATOM 0 HE22 GLN B 198 18.319 25.702 28.192 1.00 0.00 H new ATOM 1328 N VAL B 199 12.292 25.545 30.513 1.00 0.00 N ATOM 1329 CA VAL B 199 11.372 26.425 29.779 1.00 0.00 C ATOM 1330 C VAL B 199 11.963 26.790 28.390 1.00 0.00 C ATOM 1331 O VAL B 199 12.809 27.686 28.258 1.00 0.00 O ATOM 1332 CB VAL B 199 11.009 27.707 30.631 1.00 0.00 C ATOM 1333 CG1 VAL B 199 12.265 28.449 31.163 1.00 0.00 C ATOM 1334 CG2 VAL B 199 10.072 28.665 29.847 1.00 0.00 C ATOM 0 H VAL B 199 12.725 25.991 31.322 1.00 0.00 H new ATOM 0 HA VAL B 199 10.439 25.889 29.606 1.00 0.00 H new ATOM 0 HB VAL B 199 10.466 27.352 31.507 1.00 0.00 H new ATOM 0 HG11 VAL B 199 11.956 29.320 31.740 1.00 0.00 H new ATOM 0 HG12 VAL B 199 12.842 27.778 31.800 1.00 0.00 H new ATOM 0 HG13 VAL B 199 12.881 28.770 30.323 1.00 0.00 H new ATOM 0 HG21 VAL B 199 9.843 29.535 30.463 1.00 0.00 H new ATOM 0 HG22 VAL B 199 10.566 28.989 28.931 1.00 0.00 H new ATOM 0 HG23 VAL B 199 9.147 28.145 29.596 1.00 0.00 H new ATOM 1344 N THR B 200 11.557 26.021 27.372 1.00 0.00 N ATOM 1345 CA THR B 200 11.941 26.253 25.979 1.00 0.00 C ATOM 1346 C THR B 200 11.066 27.374 25.378 1.00 0.00 C ATOM 1347 O THR B 200 9.831 27.267 25.376 1.00 0.00 O ATOM 1348 CB THR B 200 11.793 24.936 25.143 1.00 0.00 C ATOM 1349 OG1 THR B 200 12.556 23.886 25.769 1.00 0.00 O ATOM 1350 CG2 THR B 200 12.266 25.101 23.683 1.00 0.00 C ATOM 0 H THR B 200 10.947 25.213 27.496 1.00 0.00 H new ATOM 0 HA THR B 200 12.986 26.562 25.946 1.00 0.00 H new ATOM 0 HB THR B 200 10.732 24.687 25.118 1.00 0.00 H new ATOM 0 HG1 THR B 200 12.464 23.060 25.249 1.00 0.00 H new ATOM 0 HG21 THR B 200 12.141 24.158 23.151 1.00 0.00 H new ATOM 0 HG22 THR B 200 11.674 25.875 23.194 1.00 0.00 H new ATOM 0 HG23 THR B 200 13.318 25.387 23.671 1.00 0.00 H new ATOM 1358 N LYS B 201 11.710 28.468 24.926 1.00 0.00 N ATOM 1359 CA LYS B 201 11.029 29.572 24.228 1.00 0.00 C ATOM 1360 C LYS B 201 10.885 29.195 22.746 1.00 0.00 C ATOM 1361 O LYS B 201 11.869 28.914 22.059 1.00 0.00 O ATOM 1362 CB LYS B 201 11.787 30.931 24.386 1.00 0.00 C ATOM 1363 CG LYS B 201 11.681 31.594 25.795 1.00 0.00 C ATOM 1364 CD LYS B 201 12.409 30.806 26.916 1.00 0.00 C ATOM 1365 CE LYS B 201 13.933 30.725 26.696 1.00 0.00 C ATOM 1366 NZ LYS B 201 14.603 29.883 27.718 1.00 0.00 N ATOM 0 H LYS B 201 12.714 28.609 25.035 1.00 0.00 H new ATOM 0 HA LYS B 201 10.046 29.717 24.677 1.00 0.00 H new ATOM 0 HB2 LYS B 201 12.840 30.769 24.157 1.00 0.00 H new ATOM 0 HB3 LYS B 201 11.403 31.631 23.644 1.00 0.00 H new ATOM 0 HG2 LYS B 201 12.095 32.601 25.744 1.00 0.00 H new ATOM 0 HG3 LYS B 201 10.629 31.695 26.060 1.00 0.00 H new ATOM 0 HD2 LYS B 201 12.210 31.282 27.876 1.00 0.00 H new ATOM 0 HD3 LYS B 201 12.000 29.797 26.969 1.00 0.00 H new ATOM 0 HE2 LYS B 201 14.134 30.319 25.705 1.00 0.00 H new ATOM 0 HE3 LYS B 201 14.356 31.729 26.721 1.00 0.00 H new ATOM 0 HZ1 LYS B 201 15.508 29.535 27.342 1.00 0.00 H new ATOM 0 HZ2 LYS B 201 14.777 30.448 28.573 1.00 0.00 H new ATOM 0 HZ3 LYS B 201 13.994 29.074 27.955 1.00 0.00 H new ATOM 1380 N VAL B 202 9.643 29.208 22.287 1.00 0.00 N ATOM 1381 CA VAL B 202 9.222 28.761 20.953 1.00 0.00 C ATOM 1382 C VAL B 202 8.195 29.761 20.408 1.00 0.00 C ATOM 1383 O VAL B 202 7.773 30.661 21.127 1.00 0.00 O ATOM 1384 CB VAL B 202 8.612 27.305 21.027 1.00 0.00 C ATOM 1385 CG1 VAL B 202 9.716 26.221 21.167 1.00 0.00 C ATOM 1386 CG2 VAL B 202 7.596 27.194 22.186 1.00 0.00 C ATOM 0 H VAL B 202 8.862 29.543 22.852 1.00 0.00 H new ATOM 0 HA VAL B 202 10.081 28.722 20.283 1.00 0.00 H new ATOM 0 HB VAL B 202 8.091 27.125 20.086 1.00 0.00 H new ATOM 0 HG11 VAL B 202 9.254 25.235 21.214 1.00 0.00 H new ATOM 0 HG12 VAL B 202 10.383 26.268 20.306 1.00 0.00 H new ATOM 0 HG13 VAL B 202 10.287 26.398 22.079 1.00 0.00 H new ATOM 0 HG21 VAL B 202 7.189 26.183 22.218 1.00 0.00 H new ATOM 0 HG22 VAL B 202 8.095 27.414 23.130 1.00 0.00 H new ATOM 0 HG23 VAL B 202 6.786 27.906 22.029 1.00 0.00 H new ATOM 1396 N ASP B 203 7.808 29.620 19.135 1.00 0.00 N ATOM 1397 CA ASP B 203 6.881 30.580 18.479 1.00 0.00 C ATOM 1398 C ASP B 203 5.496 29.947 18.284 1.00 0.00 C ATOM 1399 O ASP B 203 5.396 28.744 18.061 1.00 0.00 O ATOM 1400 CB ASP B 203 7.459 31.056 17.119 1.00 0.00 C ATOM 1401 CG ASP B 203 6.659 32.213 16.505 1.00 0.00 C ATOM 1402 OD1 ASP B 203 6.877 33.374 16.908 1.00 0.00 O ATOM 1403 OD2 ASP B 203 5.795 31.957 15.641 1.00 0.00 O ATOM 0 H ASP B 203 8.115 28.857 18.532 1.00 0.00 H new ATOM 0 HA ASP B 203 6.773 31.449 19.129 1.00 0.00 H new ATOM 0 HB2 ASP B 203 8.493 31.370 17.259 1.00 0.00 H new ATOM 0 HB3 ASP B 203 7.471 30.218 16.422 1.00 0.00 H new ATOM 1408 N CYS B 204 4.436 30.775 18.378 1.00 0.00 N ATOM 1409 CA CYS B 204 3.044 30.355 18.127 1.00 0.00 C ATOM 1410 C CYS B 204 2.768 30.411 16.612 1.00 0.00 C ATOM 1411 O CYS B 204 2.621 31.498 16.077 1.00 0.00 O ATOM 1412 CB CYS B 204 2.059 31.251 18.918 1.00 0.00 C ATOM 1413 SG CYS B 204 0.286 30.804 18.788 1.00 0.00 S ATOM 0 H CYS B 204 4.523 31.759 18.632 1.00 0.00 H new ATOM 0 HA CYS B 204 2.898 29.331 18.471 1.00 0.00 H new ATOM 0 HB2 CYS B 204 2.343 31.228 19.970 1.00 0.00 H new ATOM 0 HB3 CYS B 204 2.180 32.279 18.577 1.00 0.00 H new ATOM 1418 N PRO B 205 2.692 29.235 15.894 1.00 0.00 N ATOM 1419 CA PRO B 205 2.614 29.167 14.393 1.00 0.00 C ATOM 1420 C PRO B 205 1.355 29.810 13.764 1.00 0.00 C ATOM 1421 O PRO B 205 1.205 29.801 12.534 1.00 0.00 O ATOM 1422 CB PRO B 205 2.643 27.637 14.117 1.00 0.00 C ATOM 1423 CG PRO B 205 2.144 27.013 15.376 1.00 0.00 C ATOM 1424 CD PRO B 205 2.703 27.869 16.477 1.00 0.00 C ATOM 0 HA PRO B 205 3.425 29.738 13.941 1.00 0.00 H new ATOM 0 HB2 PRO B 205 2.010 27.376 13.269 1.00 0.00 H new ATOM 0 HB3 PRO B 205 3.651 27.297 13.880 1.00 0.00 H new ATOM 0 HG2 PRO B 205 1.054 26.995 15.404 1.00 0.00 H new ATOM 0 HG3 PRO B 205 2.482 25.981 15.467 1.00 0.00 H new ATOM 0 HD2 PRO B 205 2.093 27.812 17.378 1.00 0.00 H new ATOM 0 HD3 PRO B 205 3.711 27.559 16.754 1.00 0.00 H new ATOM 1432 N VAL B 206 0.457 30.340 14.607 1.00 0.00 N ATOM 1433 CA VAL B 206 -0.806 30.945 14.166 1.00 0.00 C ATOM 1434 C VAL B 206 -0.717 32.488 14.148 1.00 0.00 C ATOM 1435 O VAL B 206 -1.063 33.124 13.150 1.00 0.00 O ATOM 1436 CB VAL B 206 -1.993 30.499 15.092 1.00 0.00 C ATOM 1437 CG1 VAL B 206 -3.350 30.925 14.482 1.00 0.00 C ATOM 1438 CG2 VAL B 206 -1.941 28.973 15.400 1.00 0.00 C ATOM 0 H VAL B 206 0.588 30.361 15.618 1.00 0.00 H new ATOM 0 HA VAL B 206 -0.993 30.596 13.151 1.00 0.00 H new ATOM 0 HB VAL B 206 -1.887 31.011 16.049 1.00 0.00 H new ATOM 0 HG11 VAL B 206 -4.160 30.607 15.138 1.00 0.00 H new ATOM 0 HG12 VAL B 206 -3.376 32.009 14.373 1.00 0.00 H new ATOM 0 HG13 VAL B 206 -3.472 30.459 13.504 1.00 0.00 H new ATOM 0 HG21 VAL B 206 -2.778 28.703 16.043 1.00 0.00 H new ATOM 0 HG22 VAL B 206 -2.004 28.411 14.468 1.00 0.00 H new ATOM 0 HG23 VAL B 206 -1.005 28.735 15.905 1.00 0.00 H new ATOM 1448 N CYS B 207 -0.261 33.080 15.275 1.00 0.00 N ATOM 1449 CA CYS B 207 -0.212 34.563 15.453 1.00 0.00 C ATOM 1450 C CYS B 207 1.245 35.083 15.553 1.00 0.00 C ATOM 1451 O CYS B 207 1.462 36.287 15.719 1.00 0.00 O ATOM 1452 CB CYS B 207 -1.040 34.983 16.700 1.00 0.00 C ATOM 1453 SG CYS B 207 -0.334 34.515 18.311 1.00 0.00 S ATOM 0 H CYS B 207 0.081 32.558 16.082 1.00 0.00 H new ATOM 0 HA CYS B 207 -0.655 35.021 14.569 1.00 0.00 H new ATOM 0 HB2 CYS B 207 -1.168 36.065 16.681 1.00 0.00 H new ATOM 0 HB3 CYS B 207 -2.034 34.543 16.618 1.00 0.00 H new ATOM 1458 N GLY B 208 2.224 34.154 15.445 1.00 0.00 N ATOM 1459 CA GLY B 208 3.666 34.460 15.421 1.00 0.00 C ATOM 1460 C GLY B 208 4.182 35.249 16.619 1.00 0.00 C ATOM 1461 O GLY B 208 4.779 36.318 16.457 1.00 0.00 O ATOM 0 H GLY B 208 2.026 33.156 15.371 1.00 0.00 H new ATOM 0 HA2 GLY B 208 4.219 33.523 15.358 1.00 0.00 H new ATOM 0 HA3 GLY B 208 3.887 35.022 14.514 1.00 0.00 H new ATOM 1465 N VAL B 209 3.943 34.726 17.831 1.00 0.00 N ATOM 1466 CA VAL B 209 4.444 35.329 19.086 1.00 0.00 C ATOM 1467 C VAL B 209 5.382 34.329 19.801 1.00 0.00 C ATOM 1468 O VAL B 209 5.020 33.159 19.992 1.00 0.00 O ATOM 1469 CB VAL B 209 3.263 35.791 20.037 1.00 0.00 C ATOM 1470 CG1 VAL B 209 2.427 36.926 19.384 1.00 0.00 C ATOM 1471 CG2 VAL B 209 2.351 34.609 20.451 1.00 0.00 C ATOM 0 H VAL B 209 3.399 33.875 17.974 1.00 0.00 H new ATOM 0 HA VAL B 209 5.006 36.228 18.834 1.00 0.00 H new ATOM 0 HB VAL B 209 3.723 36.181 20.945 1.00 0.00 H new ATOM 0 HG11 VAL B 209 1.625 37.222 20.060 1.00 0.00 H new ATOM 0 HG12 VAL B 209 3.070 37.784 19.186 1.00 0.00 H new ATOM 0 HG13 VAL B 209 1.999 36.570 18.447 1.00 0.00 H new ATOM 0 HG21 VAL B 209 1.556 34.973 21.102 1.00 0.00 H new ATOM 0 HG22 VAL B 209 1.913 34.158 19.561 1.00 0.00 H new ATOM 0 HG23 VAL B 209 2.942 33.862 20.982 1.00 0.00 H new ATOM 1481 N ASN B 210 6.608 34.783 20.144 1.00 0.00 N ATOM 1482 CA ASN B 210 7.600 33.952 20.851 1.00 0.00 C ATOM 1483 C ASN B 210 7.265 33.919 22.351 1.00 0.00 C ATOM 1484 O ASN B 210 7.378 34.932 23.052 1.00 0.00 O ATOM 1485 CB ASN B 210 9.048 34.458 20.620 1.00 0.00 C ATOM 1486 CG ASN B 210 10.101 33.557 21.295 1.00 0.00 C ATOM 1487 OD1 ASN B 210 10.553 33.822 22.409 1.00 0.00 O ATOM 1488 ND2 ASN B 210 10.465 32.463 20.643 1.00 0.00 N ATOM 0 H ASN B 210 6.933 35.728 19.939 1.00 0.00 H new ATOM 0 HA ASN B 210 7.550 32.941 20.447 1.00 0.00 H new ATOM 0 HB2 ASN B 210 9.247 34.505 19.549 1.00 0.00 H new ATOM 0 HB3 ASN B 210 9.141 35.473 21.006 1.00 0.00 H new ATOM 0 HD21 ASN B 210 11.134 31.818 21.063 1.00 0.00 H new ATOM 0 HD22 ASN B 210 10.076 32.266 19.721 1.00 0.00 H new ATOM 1495 N ILE B 211 6.828 32.741 22.803 1.00 0.00 N ATOM 1496 CA ILE B 211 6.313 32.476 24.162 1.00 0.00 C ATOM 1497 C ILE B 211 6.858 31.112 24.673 1.00 0.00 C ATOM 1498 O ILE B 211 7.312 30.297 23.863 1.00 0.00 O ATOM 1499 CB ILE B 211 4.729 32.461 24.131 1.00 0.00 C ATOM 1500 CG1 ILE B 211 4.226 31.530 22.976 1.00 0.00 C ATOM 1501 CG2 ILE B 211 4.152 33.900 24.004 1.00 0.00 C ATOM 1502 CD1 ILE B 211 2.732 31.511 22.774 1.00 0.00 C ATOM 0 H ILE B 211 6.820 31.908 22.214 1.00 0.00 H new ATOM 0 HA ILE B 211 6.647 33.261 24.840 1.00 0.00 H new ATOM 0 HB ILE B 211 4.365 32.059 25.076 1.00 0.00 H new ATOM 0 HG12 ILE B 211 4.699 31.844 22.045 1.00 0.00 H new ATOM 0 HG13 ILE B 211 4.563 30.513 23.177 1.00 0.00 H new ATOM 0 HG21 ILE B 211 3.063 33.855 23.985 1.00 0.00 H new ATOM 0 HG22 ILE B 211 4.476 34.498 24.855 1.00 0.00 H new ATOM 0 HG23 ILE B 211 4.512 34.356 23.082 1.00 0.00 H new ATOM 0 HD11 ILE B 211 2.484 30.838 21.953 1.00 0.00 H new ATOM 0 HD12 ILE B 211 2.246 31.165 23.686 1.00 0.00 H new ATOM 0 HD13 ILE B 211 2.384 32.516 22.537 1.00 0.00 H new ATOM 1514 N PRO B 212 6.844 30.844 26.026 1.00 0.00 N ATOM 1515 CA PRO B 212 7.260 29.528 26.595 1.00 0.00 C ATOM 1516 C PRO B 212 6.409 28.343 26.073 1.00 0.00 C ATOM 1517 O PRO B 212 5.275 28.533 25.637 1.00 0.00 O ATOM 1518 CB PRO B 212 7.074 29.721 28.127 1.00 0.00 C ATOM 1519 CG PRO B 212 6.129 30.871 28.255 1.00 0.00 C ATOM 1520 CD PRO B 212 6.469 31.794 27.111 1.00 0.00 C ATOM 0 HA PRO B 212 8.279 29.269 26.308 1.00 0.00 H new ATOM 0 HB2 PRO B 212 6.669 28.823 28.593 1.00 0.00 H new ATOM 0 HB3 PRO B 212 8.024 29.933 28.617 1.00 0.00 H new ATOM 0 HG2 PRO B 212 5.093 30.537 28.197 1.00 0.00 H new ATOM 0 HG3 PRO B 212 6.248 31.374 29.215 1.00 0.00 H new ATOM 0 HD2 PRO B 212 5.621 32.418 26.828 1.00 0.00 H new ATOM 0 HD3 PRO B 212 7.289 32.466 27.363 1.00 0.00 H new ATOM 1528 N GLU B 213 6.976 27.133 26.198 1.00 0.00 N ATOM 1529 CA GLU B 213 6.430 25.878 25.636 1.00 0.00 C ATOM 1530 C GLU B 213 5.046 25.500 26.243 1.00 0.00 C ATOM 1531 O GLU B 213 4.169 24.947 25.556 1.00 0.00 O ATOM 1532 CB GLU B 213 7.490 24.764 25.863 1.00 0.00 C ATOM 1533 CG GLU B 213 7.272 23.455 25.080 1.00 0.00 C ATOM 1534 CD GLU B 213 8.392 22.431 25.350 1.00 0.00 C ATOM 1535 OE1 GLU B 213 8.301 21.687 26.349 1.00 0.00 O ATOM 1536 OE2 GLU B 213 9.396 22.409 24.601 1.00 0.00 O ATOM 0 H GLU B 213 7.850 26.992 26.705 1.00 0.00 H new ATOM 0 HA GLU B 213 6.241 26.007 24.570 1.00 0.00 H new ATOM 0 HB2 GLU B 213 8.470 25.163 25.600 1.00 0.00 H new ATOM 0 HB3 GLU B 213 7.518 24.528 26.927 1.00 0.00 H new ATOM 0 HG2 GLU B 213 6.310 23.023 25.356 1.00 0.00 H new ATOM 0 HG3 GLU B 213 7.229 23.673 24.013 1.00 0.00 H new ATOM 1543 N SER B 214 4.843 25.827 27.529 1.00 0.00 N ATOM 1544 CA SER B 214 3.544 25.624 28.213 1.00 0.00 C ATOM 1545 C SER B 214 2.458 26.543 27.603 1.00 0.00 C ATOM 1546 O SER B 214 1.343 26.099 27.266 1.00 0.00 O ATOM 1547 CB SER B 214 3.699 25.888 29.732 1.00 0.00 C ATOM 1548 OG SER B 214 2.471 25.709 30.427 1.00 0.00 O ATOM 0 H SER B 214 5.563 26.236 28.124 1.00 0.00 H new ATOM 0 HA SER B 214 3.229 24.590 28.070 1.00 0.00 H new ATOM 0 HB2 SER B 214 4.451 25.214 30.143 1.00 0.00 H new ATOM 0 HB3 SER B 214 4.061 26.904 29.889 1.00 0.00 H new ATOM 0 HG SER B 214 2.607 25.882 31.382 1.00 0.00 H new ATOM 1554 N HIS B 215 2.825 27.821 27.418 1.00 0.00 N ATOM 1555 CA HIS B 215 1.902 28.865 26.926 1.00 0.00 C ATOM 1556 C HIS B 215 1.773 28.840 25.403 1.00 0.00 C ATOM 1557 O HIS B 215 0.869 29.481 24.861 1.00 0.00 O ATOM 1558 CB HIS B 215 2.358 30.258 27.418 1.00 0.00 C ATOM 1559 CG HIS B 215 2.164 30.453 28.896 1.00 0.00 C ATOM 1560 ND1 HIS B 215 1.133 31.194 29.420 1.00 0.00 N ATOM 1561 CD2 HIS B 215 2.861 29.987 29.960 1.00 0.00 C ATOM 1562 CE1 HIS B 215 1.204 31.180 30.732 1.00 0.00 C ATOM 1563 NE2 HIS B 215 2.241 30.451 31.089 1.00 0.00 N ATOM 0 H HIS B 215 3.768 28.163 27.604 1.00 0.00 H new ATOM 0 HA HIS B 215 0.914 28.654 27.334 1.00 0.00 H new ATOM 0 HB2 HIS B 215 3.411 30.396 27.174 1.00 0.00 H new ATOM 0 HB3 HIS B 215 1.803 31.027 26.880 1.00 0.00 H new ATOM 0 HD2 HIS B 215 3.743 29.364 29.924 1.00 0.00 H new ATOM 0 HE1 HIS B 215 0.525 31.682 31.405 1.00 0.00 H new ATOM 0 HE2 HIS B 215 2.534 30.263 32.048 1.00 0.00 H new ATOM 1572 N ILE B 216 2.675 28.104 24.713 1.00 0.00 N ATOM 1573 CA ILE B 216 2.575 27.910 23.261 1.00 0.00 C ATOM 1574 C ILE B 216 1.422 26.935 23.003 1.00 0.00 C ATOM 1575 O ILE B 216 0.561 27.219 22.164 1.00 0.00 O ATOM 1576 CB ILE B 216 3.953 27.448 22.582 1.00 0.00 C ATOM 1577 CG1 ILE B 216 4.086 27.988 21.117 1.00 0.00 C ATOM 1578 CG2 ILE B 216 4.176 25.907 22.576 1.00 0.00 C ATOM 1579 CD1 ILE B 216 3.186 27.323 20.091 1.00 0.00 C ATOM 0 H ILE B 216 3.475 27.639 25.143 1.00 0.00 H new ATOM 0 HA ILE B 216 2.365 28.866 22.782 1.00 0.00 H new ATOM 0 HB ILE B 216 4.726 27.886 23.214 1.00 0.00 H new ATOM 0 HG12 ILE B 216 3.874 29.057 21.122 1.00 0.00 H new ATOM 0 HG13 ILE B 216 5.121 27.870 20.797 1.00 0.00 H new ATOM 0 HG21 ILE B 216 5.130 25.679 22.100 1.00 0.00 H new ATOM 0 HG22 ILE B 216 4.185 25.537 23.601 1.00 0.00 H new ATOM 0 HG23 ILE B 216 3.370 25.425 22.023 1.00 0.00 H new ATOM 0 HD11 ILE B 216 3.357 27.771 19.112 1.00 0.00 H new ATOM 0 HD12 ILE B 216 3.410 26.257 20.047 1.00 0.00 H new ATOM 0 HD13 ILE B 216 2.143 27.463 20.376 1.00 0.00 H new ATOM 1591 N ASN B 217 1.381 25.838 23.810 1.00 0.00 N ATOM 1592 CA ASN B 217 0.308 24.830 23.775 1.00 0.00 C ATOM 1593 C ASN B 217 -1.051 25.534 23.929 1.00 0.00 C ATOM 1594 O ASN B 217 -1.920 25.417 23.054 1.00 0.00 O ATOM 1595 CB ASN B 217 0.532 23.798 24.926 1.00 0.00 C ATOM 1596 CG ASN B 217 -0.319 22.504 24.886 1.00 0.00 C ATOM 1597 OD1 ASN B 217 0.117 21.481 25.405 1.00 0.00 O ATOM 1598 ND2 ASN B 217 -1.528 22.508 24.317 1.00 0.00 N ATOM 0 H ASN B 217 2.101 25.637 24.504 1.00 0.00 H new ATOM 0 HA ASN B 217 0.321 24.298 22.824 1.00 0.00 H new ATOM 0 HB2 ASN B 217 1.584 23.512 24.924 1.00 0.00 H new ATOM 0 HB3 ASN B 217 0.340 24.301 25.874 1.00 0.00 H new ATOM 0 HD21 ASN B 217 -2.093 21.658 24.313 1.00 0.00 H new ATOM 0 HD22 ASN B 217 -1.886 23.361 23.887 1.00 0.00 H new ATOM 1605 N LYS B 218 -1.170 26.314 25.023 1.00 0.00 N ATOM 1606 CA LYS B 218 -2.409 27.029 25.374 1.00 0.00 C ATOM 1607 C LYS B 218 -2.816 28.051 24.294 1.00 0.00 C ATOM 1608 O LYS B 218 -4.013 28.178 23.962 1.00 0.00 O ATOM 1609 CB LYS B 218 -2.249 27.722 26.757 1.00 0.00 C ATOM 1610 CG LYS B 218 -3.551 28.359 27.327 1.00 0.00 C ATOM 1611 CD LYS B 218 -4.708 27.331 27.474 1.00 0.00 C ATOM 1612 CE LYS B 218 -4.366 26.180 28.439 1.00 0.00 C ATOM 1613 NZ LYS B 218 -5.405 25.111 28.428 1.00 0.00 N ATOM 0 H LYS B 218 -0.409 26.464 25.686 1.00 0.00 H new ATOM 0 HA LYS B 218 -3.211 26.294 25.433 1.00 0.00 H new ATOM 0 HB2 LYS B 218 -1.877 26.989 27.473 1.00 0.00 H new ATOM 0 HB3 LYS B 218 -1.489 28.499 26.672 1.00 0.00 H new ATOM 0 HG2 LYS B 218 -3.338 28.802 28.300 1.00 0.00 H new ATOM 0 HG3 LYS B 218 -3.871 29.169 26.672 1.00 0.00 H new ATOM 0 HD2 LYS B 218 -5.601 27.845 27.831 1.00 0.00 H new ATOM 0 HD3 LYS B 218 -4.948 26.918 26.494 1.00 0.00 H new ATOM 0 HE2 LYS B 218 -3.402 25.751 28.164 1.00 0.00 H new ATOM 0 HE3 LYS B 218 -4.263 26.574 29.450 1.00 0.00 H new ATOM 0 HZ1 LYS B 218 -5.134 24.357 29.091 1.00 0.00 H new ATOM 0 HZ2 LYS B 218 -6.320 25.513 28.716 1.00 0.00 H new ATOM 0 HZ3 LYS B 218 -5.486 24.716 27.469 1.00 0.00 H new ATOM 1627 N HIS B 219 -1.803 28.743 23.726 1.00 0.00 N ATOM 1628 CA HIS B 219 -2.030 29.758 22.683 1.00 0.00 C ATOM 1629 C HIS B 219 -2.671 29.124 21.462 1.00 0.00 C ATOM 1630 O HIS B 219 -3.490 29.760 20.838 1.00 0.00 O ATOM 1631 CB HIS B 219 -0.720 30.511 22.267 1.00 0.00 C ATOM 1632 CG HIS B 219 -0.781 32.003 22.492 1.00 0.00 C ATOM 1633 ND1 HIS B 219 -0.909 32.923 21.457 1.00 0.00 N ATOM 1634 CD2 HIS B 219 -0.725 32.682 23.665 1.00 0.00 C ATOM 1635 CE1 HIS B 219 -0.934 34.108 22.042 1.00 0.00 C ATOM 1636 NE2 HIS B 219 -0.826 34.007 23.366 1.00 0.00 N ATOM 0 H HIS B 219 -0.822 28.614 23.975 1.00 0.00 H new ATOM 0 HA HIS B 219 -2.703 30.500 23.112 1.00 0.00 H new ATOM 0 HB2 HIS B 219 0.119 30.101 22.830 1.00 0.00 H new ATOM 0 HB3 HIS B 219 -0.520 30.319 21.213 1.00 0.00 H new ATOM 0 HD2 HIS B 219 -0.620 32.253 24.650 1.00 0.00 H new ATOM 0 HE1 HIS B 219 -1.030 35.044 21.511 1.00 0.00 H new ATOM 0 HE2 HIS B 219 -0.820 34.779 24.033 1.00 0.00 H new ATOM 1644 N LEU B 220 -2.283 27.870 21.134 1.00 0.00 N ATOM 1645 CA LEU B 220 -2.877 27.137 20.003 1.00 0.00 C ATOM 1646 C LEU B 220 -4.349 26.890 20.254 1.00 0.00 C ATOM 1647 O LEU B 220 -5.152 27.219 19.411 1.00 0.00 O ATOM 1648 CB LEU B 220 -2.183 25.784 19.721 1.00 0.00 C ATOM 1649 CG LEU B 220 -0.743 25.813 19.096 1.00 0.00 C ATOM 1650 CD1 LEU B 220 -0.237 27.234 18.779 1.00 0.00 C ATOM 1651 CD2 LEU B 220 0.248 25.033 19.965 1.00 0.00 C ATOM 0 H LEU B 220 -1.564 27.350 21.637 1.00 0.00 H new ATOM 0 HA LEU B 220 -2.736 27.768 19.125 1.00 0.00 H new ATOM 0 HB2 LEU B 220 -2.129 25.234 20.660 1.00 0.00 H new ATOM 0 HB3 LEU B 220 -2.826 25.211 19.053 1.00 0.00 H new ATOM 0 HG LEU B 220 -0.817 25.312 18.131 1.00 0.00 H new ATOM 0 HD11 LEU B 220 0.763 27.177 18.350 1.00 0.00 H new ATOM 0 HD12 LEU B 220 -0.911 27.710 18.066 1.00 0.00 H new ATOM 0 HD13 LEU B 220 -0.205 27.822 19.696 1.00 0.00 H new ATOM 0 HD21 LEU B 220 1.238 25.069 19.510 1.00 0.00 H new ATOM 0 HD22 LEU B 220 0.289 25.479 20.959 1.00 0.00 H new ATOM 0 HD23 LEU B 220 -0.077 23.996 20.046 1.00 0.00 H new ATOM 1663 N ASP B 221 -4.683 26.349 21.436 1.00 0.00 N ATOM 1664 CA ASP B 221 -6.078 25.996 21.796 1.00 0.00 C ATOM 1665 C ASP B 221 -7.039 27.196 21.639 1.00 0.00 C ATOM 1666 O ASP B 221 -8.235 27.015 21.386 1.00 0.00 O ATOM 1667 CB ASP B 221 -6.128 25.422 23.234 1.00 0.00 C ATOM 1668 CG ASP B 221 -5.450 24.044 23.340 1.00 0.00 C ATOM 1669 OD1 ASP B 221 -6.128 23.015 23.141 1.00 0.00 O ATOM 1670 OD2 ASP B 221 -4.228 23.977 23.589 1.00 0.00 O ATOM 0 H ASP B 221 -4.004 26.143 22.169 1.00 0.00 H new ATOM 0 HA ASP B 221 -6.419 25.229 21.101 1.00 0.00 H new ATOM 0 HB2 ASP B 221 -5.640 26.117 23.917 1.00 0.00 H new ATOM 0 HB3 ASP B 221 -7.167 25.338 23.553 1.00 0.00 H new ATOM 1675 N SER B 222 -6.491 28.415 21.779 1.00 0.00 N ATOM 1676 CA SER B 222 -7.230 29.676 21.549 1.00 0.00 C ATOM 1677 C SER B 222 -7.130 30.124 20.063 1.00 0.00 C ATOM 1678 O SER B 222 -8.106 30.595 19.474 1.00 0.00 O ATOM 1679 CB SER B 222 -6.661 30.765 22.487 1.00 0.00 C ATOM 1680 OG SER B 222 -7.255 32.032 22.253 1.00 0.00 O ATOM 0 H SER B 222 -5.520 28.558 22.056 1.00 0.00 H new ATOM 0 HA SER B 222 -8.286 29.517 21.768 1.00 0.00 H new ATOM 0 HB2 SER B 222 -6.827 30.473 23.524 1.00 0.00 H new ATOM 0 HB3 SER B 222 -5.583 30.838 22.345 1.00 0.00 H new ATOM 0 HG SER B 222 -6.870 32.692 22.866 1.00 0.00 H new ATOM 1686 N CYS B 223 -5.932 29.950 19.482 1.00 0.00 N ATOM 1687 CA CYS B 223 -5.570 30.464 18.141 1.00 0.00 C ATOM 1688 C CYS B 223 -6.067 29.562 16.976 1.00 0.00 C ATOM 1689 O CYS B 223 -6.169 30.032 15.842 1.00 0.00 O ATOM 1690 CB CYS B 223 -4.035 30.696 18.069 1.00 0.00 C ATOM 1691 SG CYS B 223 -3.465 32.173 18.997 1.00 0.00 S ATOM 0 H CYS B 223 -5.172 29.441 19.934 1.00 0.00 H new ATOM 0 HA CYS B 223 -6.087 31.414 18.007 1.00 0.00 H new ATOM 0 HB2 CYS B 223 -3.525 29.815 18.458 1.00 0.00 H new ATOM 0 HB3 CYS B 223 -3.741 30.799 17.024 1.00 0.00 H new ATOM 1696 N LEU B 224 -6.399 28.280 17.246 1.00 0.00 N ATOM 1697 CA LEU B 224 -6.829 27.312 16.193 1.00 0.00 C ATOM 1698 C LEU B 224 -8.365 27.277 16.102 1.00 0.00 C ATOM 1699 O LEU B 224 -8.945 26.415 15.431 1.00 0.00 O ATOM 1700 CB LEU B 224 -6.184 25.892 16.431 1.00 0.00 C ATOM 1701 CG LEU B 224 -6.580 25.077 17.732 1.00 0.00 C ATOM 1702 CD1 LEU B 224 -7.894 24.273 17.588 1.00 0.00 C ATOM 1703 CD2 LEU B 224 -5.429 24.144 18.177 1.00 0.00 C ATOM 0 H LEU B 224 -6.380 27.883 18.186 1.00 0.00 H new ATOM 0 HA LEU B 224 -6.462 27.647 15.223 1.00 0.00 H new ATOM 0 HB2 LEU B 224 -6.426 25.272 15.568 1.00 0.00 H new ATOM 0 HB3 LEU B 224 -5.101 26.019 16.439 1.00 0.00 H new ATOM 0 HG LEU B 224 -6.758 25.827 18.503 1.00 0.00 H new ATOM 0 HD11 LEU B 224 -8.099 23.742 18.517 1.00 0.00 H new ATOM 0 HD12 LEU B 224 -8.716 24.955 17.371 1.00 0.00 H new ATOM 0 HD13 LEU B 224 -7.794 23.555 16.774 1.00 0.00 H new ATOM 0 HD21 LEU B 224 -5.729 23.598 19.071 1.00 0.00 H new ATOM 0 HD22 LEU B 224 -5.204 23.437 17.378 1.00 0.00 H new ATOM 0 HD23 LEU B 224 -4.542 24.739 18.395 1.00 0.00 H new ATOM 1715 N SER B 225 -9.013 28.282 16.731 1.00 0.00 N ATOM 1716 CA SER B 225 -10.477 28.462 16.728 1.00 0.00 C ATOM 1717 C SER B 225 -11.011 29.010 15.373 1.00 0.00 C ATOM 1718 O SER B 225 -12.117 29.555 15.318 1.00 0.00 O ATOM 1719 CB SER B 225 -10.863 29.403 17.892 1.00 0.00 C ATOM 1720 OG SER B 225 -10.383 28.906 19.135 1.00 0.00 O ATOM 0 H SER B 225 -8.523 29.001 17.263 1.00 0.00 H new ATOM 0 HA SER B 225 -10.942 27.486 16.863 1.00 0.00 H new ATOM 0 HB2 SER B 225 -10.453 30.397 17.712 1.00 0.00 H new ATOM 0 HB3 SER B 225 -11.947 29.509 17.934 1.00 0.00 H new ATOM 0 HG SER B 225 -9.577 29.399 19.395 1.00 0.00 H new ATOM 1726 N ARG B 226 -10.224 28.861 14.288 1.00 0.00 N ATOM 1727 CA ARG B 226 -10.661 29.132 12.909 1.00 0.00 C ATOM 1728 C ARG B 226 -9.898 28.199 11.953 1.00 0.00 C ATOM 1729 O ARG B 226 -8.765 27.788 12.246 1.00 0.00 O ATOM 1730 CB ARG B 226 -10.422 30.619 12.525 1.00 0.00 C ATOM 1731 CG ARG B 226 -11.008 31.035 11.156 1.00 0.00 C ATOM 1732 CD ARG B 226 -10.718 32.500 10.797 1.00 0.00 C ATOM 1733 NE ARG B 226 -11.370 32.885 9.535 1.00 0.00 N ATOM 1734 CZ ARG B 226 -10.910 33.784 8.655 1.00 0.00 C ATOM 1735 NH1 ARG B 226 -9.714 34.338 8.801 1.00 0.00 N ATOM 1736 NH2 ARG B 226 -11.649 34.097 7.604 1.00 0.00 N ATOM 0 H ARG B 226 -9.256 28.545 14.349 1.00 0.00 H new ATOM 0 HA ARG B 226 -11.732 28.944 12.832 1.00 0.00 H new ATOM 0 HB2 ARG B 226 -10.855 31.254 13.298 1.00 0.00 H new ATOM 0 HB3 ARG B 226 -9.349 30.811 12.519 1.00 0.00 H new ATOM 0 HG2 ARG B 226 -10.597 30.389 10.380 1.00 0.00 H new ATOM 0 HG3 ARG B 226 -12.086 30.876 11.166 1.00 0.00 H new ATOM 0 HD2 ARG B 226 -11.067 33.149 11.601 1.00 0.00 H new ATOM 0 HD3 ARG B 226 -9.642 32.649 10.712 1.00 0.00 H new ATOM 0 HE ARG B 226 -12.252 32.425 9.310 1.00 0.00 H new ATOM 0 HH11 ARG B 226 -9.126 34.081 9.594 1.00 0.00 H new ATOM 0 HH12 ARG B 226 -9.382 35.021 8.120 1.00 0.00 H new ATOM 0 HH21 ARG B 226 -12.559 33.655 7.470 1.00 0.00 H new ATOM 0 HH22 ARG B 226 -11.309 34.780 6.927 1.00 0.00 H new ATOM 1750 N GLU B 227 -10.528 27.869 10.815 1.00 0.00 N ATOM 1751 CA GLU B 227 -9.947 27.029 9.759 1.00 0.00 C ATOM 1752 C GLU B 227 -10.190 27.703 8.375 1.00 0.00 C ATOM 1753 O GLU B 227 -11.354 27.943 8.002 1.00 0.00 O ATOM 1754 CB GLU B 227 -10.509 25.559 9.834 1.00 0.00 C ATOM 1755 CG GLU B 227 -12.052 25.366 9.690 1.00 0.00 C ATOM 1756 CD GLU B 227 -12.887 25.948 10.848 1.00 0.00 C ATOM 1757 OE1 GLU B 227 -13.038 25.274 11.882 1.00 0.00 O ATOM 1758 OE2 GLU B 227 -13.396 27.084 10.737 1.00 0.00 O ATOM 1759 OXT GLU B 227 -9.211 28.006 7.670 1.00 0.00 O ATOM 0 H GLU B 227 -11.474 28.185 10.600 1.00 0.00 H new ATOM 0 HA GLU B 227 -8.870 26.944 9.903 1.00 0.00 H new ATOM 0 HB2 GLU B 227 -10.023 24.973 9.054 1.00 0.00 H new ATOM 0 HB3 GLU B 227 -10.205 25.131 10.789 1.00 0.00 H new ATOM 0 HG2 GLU B 227 -12.377 25.829 8.758 1.00 0.00 H new ATOM 0 HG3 GLU B 227 -12.265 24.300 9.607 1.00 0.00 H new TER 1766 GLU B 227 HETATM 1767 ZN ZN B 301 -1.136 32.570 19.389 1.00 0.00 ZN