USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1018 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot -52:sc= 1.68 USER MOD Set 1.2: A 57 SER OG : rot 60:sc= 0.651 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 161:sc= 1.37 (180deg=1.13) USER MOD Single : A 2 GLN : amide:sc= -0.22 X(o=-0.22,f=-0.075) USER MOD Single : A 6 LYS NZ :NH3+ 162:sc= -0.0393 (180deg=-0.277) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.185 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00368 USER MOD Single : A 11 LYS NZ :NH3+ 169:sc= 1.29 (180deg=1.01) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -1.78! USER MOD Single : A 25 ASN : amide:sc= 0.906 K(o=0.91,f=-2.2!) USER MOD Single : A 27 LYS NZ :NH3+ -124:sc= 1.91 (180deg=-0.676!) USER MOD Single : A 29 LYS NZ :NH3+ -133:sc= 1.25 (180deg=-2.69!) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 33 LYS NZ :NH3+ 162:sc= 1.27 (180deg=1.2) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 41 GLN : amide:sc= 1.19 K(o=1.2,f=-3.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.593 K(o=-0.59,f=-5!) USER MOD Single : A 59 TYR OH : rot 180:sc= -0.189 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0.095) USER MOD Single : A 62 GLN : amide:sc= -0.439 K(o=-0.44,f=-1.7) USER MOD Single : A 63 LYS NZ :NH3+ 168:sc= 1.16 (180deg=0.701) USER MOD Single : A 65 SER OG : rot 124:sc= 1.2 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0537 X(o=-0.054,f=0) USER MOD Single : B 537 SER OG : rot 180:sc= 0 USER MOD Single : B 541 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 542 ASN : amide:sc= -3.67! C(o=-3.7!,f=-8.1!) USER MOD Single : B 548 GLN :FLIP amide:sc= -0.022 F(o=-1.1,f=-0.022) USER MOD Single : B 549 GLN :FLIP amide:sc= -0.512 F(o=-1.4,f=-0.51) USER MOD Single : B 550 GLN : amide:sc= -0.185 X(o=-0.18,f=-0.64) USER MOD Single : B 553 GLN : amide:sc= -0.391 K(o=-0.39,f=-1.3) USER MOD Single : B 555 SER OG : rot 78:sc= 2.35 USER MOD Single : B 557 MET CE :methyl 157:sc= 0 (180deg=-0.843) USER MOD Single : B 561 ASN : amide:sc= -0.72 K(o=-0.72,f=-4.6!) USER MOD Single : B 565 ASN : amide:sc= -5.78! C(o=-5.8!,f=-9.5!) USER MOD Single : B 567 GLN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : B 572 THR OG1 : rot -82:sc= 1.21 USER MOD Single : B 577 ASN : amide:sc= -0.364 K(o=-0.36,f=-1.1) USER MOD Single : B 586 SER OG : rot 180:sc= -0.0683 USER MOD Single : B 587 SER OG : rot -1:sc= 1.16 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.142 -9.325 3.769 1.00 0.00 N ATOM 2 CA MET A 1 -8.960 -9.977 4.378 1.00 0.00 C ATOM 3 C MET A 1 -8.069 -8.944 5.063 1.00 0.00 C ATOM 4 O MET A 1 -8.133 -7.751 4.759 1.00 0.00 O ATOM 5 CB MET A 1 -8.166 -10.762 3.325 1.00 0.00 C ATOM 6 CG MET A 1 -7.439 -9.897 2.308 1.00 0.00 C ATOM 7 SD MET A 1 -6.751 -10.863 0.949 1.00 0.00 S ATOM 8 CE MET A 1 -5.897 -9.593 0.019 1.00 0.00 C ATOM 0 H1 MET A 1 -10.556 -9.956 3.053 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.848 -9.127 4.507 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.853 -8.433 3.319 1.00 0.00 H new ATOM 0 HA MET A 1 -9.312 -10.681 5.132 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.437 -11.392 3.834 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.848 -11.427 2.796 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.129 -9.153 1.909 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.637 -9.353 2.806 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.421 -10.039 -0.854 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.612 -8.836 -0.305 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.138 -9.129 0.649 1.00 0.00 H new ATOM 20 N GLN A 2 -7.243 -9.415 5.986 1.00 0.00 N ATOM 21 CA GLN A 2 -6.346 -8.547 6.740 1.00 0.00 C ATOM 22 C GLN A 2 -4.993 -8.427 6.060 1.00 0.00 C ATOM 23 O GLN A 2 -4.557 -9.343 5.357 1.00 0.00 O ATOM 24 CB GLN A 2 -6.160 -9.085 8.161 1.00 0.00 C ATOM 25 CG GLN A 2 -7.425 -9.042 9.000 1.00 0.00 C ATOM 26 CD GLN A 2 -7.886 -7.627 9.287 1.00 0.00 C ATOM 27 OE1 GLN A 2 -7.480 -7.018 10.276 1.00 0.00 O ATOM 28 NE2 GLN A 2 -8.742 -7.097 8.431 1.00 0.00 N ATOM 0 H GLN A 2 -7.175 -10.402 6.233 1.00 0.00 H new ATOM 0 HA GLN A 2 -6.799 -7.557 6.782 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -5.805 -10.114 8.107 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -5.383 -8.506 8.661 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -8.219 -9.581 8.482 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -7.250 -9.561 9.942 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -9.054 -7.635 7.623 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -9.090 -6.150 8.578 1.00 0.00 H new ATOM 37 N ILE A 3 -4.331 -7.295 6.276 1.00 0.00 N ATOM 38 CA ILE A 3 -3.016 -7.038 5.702 1.00 0.00 C ATOM 39 C ILE A 3 -2.203 -6.142 6.626 1.00 0.00 C ATOM 40 O ILE A 3 -2.743 -5.539 7.556 1.00 0.00 O ATOM 41 CB ILE A 3 -3.086 -6.344 4.321 1.00 0.00 C ATOM 42 CG1 ILE A 3 -4.017 -5.131 4.382 1.00 0.00 C ATOM 43 CG2 ILE A 3 -3.529 -7.317 3.239 1.00 0.00 C ATOM 44 CD1 ILE A 3 -3.729 -4.088 3.324 1.00 0.00 C ATOM 0 H ILE A 3 -4.690 -6.533 6.852 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.547 -8.014 5.579 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.085 -5.998 4.062 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.048 -5.470 4.275 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -3.934 -4.670 5.366 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.569 -6.801 2.280 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.819 -8.142 3.178 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.517 -7.707 3.483 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.429 -3.259 3.430 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.710 -3.720 3.443 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.841 -4.532 2.335 1.00 0.00 H new ATOM 56 N PHE A 4 -0.913 -6.063 6.358 1.00 0.00 N ATOM 57 CA PHE A 4 -0.013 -5.228 7.134 1.00 0.00 C ATOM 58 C PHE A 4 0.682 -4.258 6.195 1.00 0.00 C ATOM 59 O PHE A 4 1.155 -4.656 5.132 1.00 0.00 O ATOM 60 CB PHE A 4 1.024 -6.083 7.871 1.00 0.00 C ATOM 61 CG PHE A 4 0.425 -7.216 8.658 1.00 0.00 C ATOM 62 CD1 PHE A 4 -0.231 -6.978 9.856 1.00 0.00 C ATOM 63 CD2 PHE A 4 0.517 -8.520 8.196 1.00 0.00 C ATOM 64 CE1 PHE A 4 -0.783 -8.020 10.578 1.00 0.00 C ATOM 65 CE2 PHE A 4 -0.033 -9.564 8.913 1.00 0.00 C ATOM 66 CZ PHE A 4 -0.684 -9.315 10.105 1.00 0.00 C ATOM 0 H PHE A 4 -0.460 -6.573 5.600 1.00 0.00 H new ATOM 0 HA PHE A 4 -0.585 -4.679 7.881 1.00 0.00 H new ATOM 0 HB2 PHE A 4 1.729 -6.489 7.145 1.00 0.00 H new ATOM 0 HB3 PHE A 4 1.594 -5.445 8.546 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.312 -5.968 10.229 1.00 0.00 H new ATOM 0 HD2 PHE A 4 1.025 -8.722 7.264 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -1.291 -7.822 11.510 1.00 0.00 H new ATOM 0 HE2 PHE A 4 0.046 -10.575 8.542 1.00 0.00 H new ATOM 0 HZ PHE A 4 -1.115 -10.131 10.667 1.00 0.00 H new ATOM 76 N VAL A 5 0.738 -2.993 6.568 1.00 0.00 N ATOM 77 CA VAL A 5 1.373 -1.992 5.729 1.00 0.00 C ATOM 78 C VAL A 5 2.428 -1.238 6.522 1.00 0.00 C ATOM 79 O VAL A 5 2.108 -0.406 7.369 1.00 0.00 O ATOM 80 CB VAL A 5 0.349 -0.993 5.147 1.00 0.00 C ATOM 81 CG1 VAL A 5 1.038 0.047 4.275 1.00 0.00 C ATOM 82 CG2 VAL A 5 -0.727 -1.722 4.356 1.00 0.00 C ATOM 0 H VAL A 5 0.354 -2.635 7.442 1.00 0.00 H new ATOM 0 HA VAL A 5 1.842 -2.515 4.895 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.127 -0.477 5.981 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.295 0.738 3.877 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.764 0.599 4.872 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.549 -0.450 3.450 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.437 -0.999 3.955 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.266 -2.271 3.535 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.250 -2.420 5.010 1.00 0.00 H new ATOM 92 N LYS A 6 3.684 -1.550 6.260 1.00 0.00 N ATOM 93 CA LYS A 6 4.783 -0.900 6.946 1.00 0.00 C ATOM 94 C LYS A 6 5.401 0.157 6.049 1.00 0.00 C ATOM 95 O LYS A 6 5.861 -0.143 4.949 1.00 0.00 O ATOM 96 CB LYS A 6 5.847 -1.915 7.371 1.00 0.00 C ATOM 97 CG LYS A 6 6.629 -1.483 8.603 1.00 0.00 C ATOM 98 CD LYS A 6 8.039 -2.051 8.605 1.00 0.00 C ATOM 99 CE LYS A 6 8.702 -1.883 9.965 1.00 0.00 C ATOM 100 NZ LYS A 6 8.068 -2.741 11.000 1.00 0.00 N ATOM 0 H LYS A 6 3.968 -2.251 5.576 1.00 0.00 H new ATOM 0 HA LYS A 6 4.390 -0.425 7.845 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.367 -2.873 7.571 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.541 -2.072 6.545 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.676 -0.395 8.641 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.104 -1.811 9.500 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.008 -3.108 8.342 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.636 -1.550 7.843 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.760 -2.131 9.886 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.641 -0.839 10.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.711 -2.838 11.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.177 -2.306 11.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.872 -3.681 10.600 1.00 0.00 H new ATOM 114 N THR A 7 5.401 1.391 6.516 1.00 0.00 N ATOM 115 CA THR A 7 5.961 2.488 5.752 1.00 0.00 C ATOM 116 C THR A 7 7.482 2.441 5.779 1.00 0.00 C ATOM 117 O THR A 7 8.073 1.692 6.561 1.00 0.00 O ATOM 118 CB THR A 7 5.491 3.847 6.297 1.00 0.00 C ATOM 119 OG1 THR A 7 5.897 3.993 7.662 1.00 0.00 O ATOM 120 CG2 THR A 7 3.981 3.979 6.201 1.00 0.00 C ATOM 0 H THR A 7 5.018 1.659 7.423 1.00 0.00 H new ATOM 0 HA THR A 7 5.610 2.378 4.726 1.00 0.00 H new ATOM 0 HB THR A 7 5.948 4.631 5.693 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.596 4.861 8.002 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.675 4.949 6.593 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.674 3.896 5.158 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.509 3.187 6.783 1.00 0.00 H new ATOM 128 N LEU A 8 8.112 3.248 4.934 1.00 0.00 N ATOM 129 CA LEU A 8 9.567 3.303 4.865 1.00 0.00 C ATOM 130 C LEU A 8 10.147 3.827 6.179 1.00 0.00 C ATOM 131 O LEU A 8 11.295 3.545 6.525 1.00 0.00 O ATOM 132 CB LEU A 8 10.008 4.188 3.698 1.00 0.00 C ATOM 133 CG LEU A 8 11.456 3.998 3.243 1.00 0.00 C ATOM 134 CD1 LEU A 8 11.703 2.547 2.860 1.00 0.00 C ATOM 135 CD2 LEU A 8 11.770 4.918 2.073 1.00 0.00 C ATOM 0 H LEU A 8 7.636 3.875 4.285 1.00 0.00 H new ATOM 0 HA LEU A 8 9.945 2.294 4.701 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.350 3.997 2.850 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.868 5.231 3.982 1.00 0.00 H new ATOM 0 HG LEU A 8 12.117 4.255 4.071 1.00 0.00 H new ATOM 0 HD11 LEU A 8 12.737 2.427 2.538 1.00 0.00 H new ATOM 0 HD12 LEU A 8 11.514 1.906 3.721 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.035 2.267 2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 8 12.804 4.770 1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 8 11.104 4.689 1.241 1.00 0.00 H new ATOM 0 HD23 LEU A 8 11.627 5.955 2.377 1.00 0.00 H new ATOM 147 N THR A 9 9.341 4.586 6.909 1.00 0.00 N ATOM 148 CA THR A 9 9.758 5.133 8.188 1.00 0.00 C ATOM 149 C THR A 9 9.728 4.051 9.266 1.00 0.00 C ATOM 150 O THR A 9 10.401 4.153 10.293 1.00 0.00 O ATOM 151 CB THR A 9 8.846 6.298 8.606 1.00 0.00 C ATOM 152 OG1 THR A 9 8.464 7.047 7.444 1.00 0.00 O ATOM 153 CG2 THR A 9 9.547 7.212 9.602 1.00 0.00 C ATOM 0 H THR A 9 8.391 4.836 6.634 1.00 0.00 H new ATOM 0 HA THR A 9 10.777 5.504 8.078 1.00 0.00 H new ATOM 0 HB THR A 9 7.959 5.887 9.088 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.881 7.789 7.710 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.879 8.027 9.880 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.815 6.643 10.492 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.449 7.621 9.148 1.00 0.00 H new ATOM 161 N GLY A 10 8.945 3.009 9.023 1.00 0.00 N ATOM 162 CA GLY A 10 8.849 1.920 9.970 1.00 0.00 C ATOM 163 C GLY A 10 7.513 1.868 10.684 1.00 0.00 C ATOM 164 O GLY A 10 7.380 1.186 11.700 1.00 0.00 O ATOM 0 H GLY A 10 8.374 2.900 8.185 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.012 0.977 9.448 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.645 2.017 10.708 1.00 0.00 H new ATOM 168 N LYS A 11 6.525 2.586 10.165 1.00 0.00 N ATOM 169 CA LYS A 11 5.197 2.597 10.768 1.00 0.00 C ATOM 170 C LYS A 11 4.414 1.376 10.293 1.00 0.00 C ATOM 171 O LYS A 11 4.498 1.005 9.129 1.00 0.00 O ATOM 172 CB LYS A 11 4.457 3.889 10.404 1.00 0.00 C ATOM 173 CG LYS A 11 3.186 4.112 11.205 1.00 0.00 C ATOM 174 CD LYS A 11 2.515 5.427 10.838 1.00 0.00 C ATOM 175 CE LYS A 11 1.424 5.795 11.833 1.00 0.00 C ATOM 176 NZ LYS A 11 0.236 4.908 11.717 1.00 0.00 N ATOM 0 H LYS A 11 6.617 3.166 9.331 1.00 0.00 H new ATOM 0 HA LYS A 11 5.293 2.557 11.853 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.126 4.736 10.558 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.208 3.868 9.343 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.494 3.288 11.028 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.421 4.108 12.269 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.262 6.221 10.805 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.087 5.351 9.839 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.823 5.735 12.846 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.120 6.829 11.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.398 5.069 12.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.270 5.119 10.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.544 3.915 11.711 1.00 0.00 H new ATOM 190 N THR A 12 3.651 0.766 11.185 1.00 0.00 N ATOM 191 CA THR A 12 2.883 -0.421 10.838 1.00 0.00 C ATOM 192 C THR A 12 1.388 -0.117 10.856 1.00 0.00 C ATOM 193 O THR A 12 0.774 -0.031 11.919 1.00 0.00 O ATOM 194 CB THR A 12 3.188 -1.586 11.798 1.00 0.00 C ATOM 195 OG1 THR A 12 4.577 -1.567 12.166 1.00 0.00 O ATOM 196 CG2 THR A 12 2.853 -2.920 11.148 1.00 0.00 C ATOM 0 H THR A 12 3.546 1.071 12.153 1.00 0.00 H new ATOM 0 HA THR A 12 3.176 -0.719 9.831 1.00 0.00 H new ATOM 0 HB THR A 12 2.573 -1.466 12.690 1.00 0.00 H new ATOM 0 HG1 THR A 12 4.763 -2.309 12.778 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.076 -3.730 11.843 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.794 -2.944 10.891 1.00 0.00 H new ATOM 0 HG23 THR A 12 3.449 -3.044 10.244 1.00 0.00 H new ATOM 204 N ILE A 13 0.816 0.055 9.675 1.00 0.00 N ATOM 205 CA ILE A 13 -0.596 0.370 9.542 1.00 0.00 C ATOM 206 C ILE A 13 -1.412 -0.884 9.235 1.00 0.00 C ATOM 207 O ILE A 13 -1.151 -1.581 8.254 1.00 0.00 O ATOM 208 CB ILE A 13 -0.831 1.407 8.421 1.00 0.00 C ATOM 209 CG1 ILE A 13 0.289 2.452 8.405 1.00 0.00 C ATOM 210 CG2 ILE A 13 -2.179 2.083 8.604 1.00 0.00 C ATOM 211 CD1 ILE A 13 0.398 3.198 7.093 1.00 0.00 C ATOM 0 H ILE A 13 1.314 -0.019 8.788 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.922 0.788 10.494 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.826 0.885 7.464 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.118 3.169 9.208 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.238 1.959 8.614 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.332 2.811 7.808 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.970 1.334 8.567 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -2.204 2.590 9.569 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.211 3.922 7.152 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.599 2.491 6.288 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.538 3.719 6.892 1.00 0.00 H new ATOM 223 N THR A 14 -2.373 -1.182 10.095 1.00 0.00 N ATOM 224 CA THR A 14 -3.241 -2.331 9.904 1.00 0.00 C ATOM 225 C THR A 14 -4.503 -1.906 9.153 1.00 0.00 C ATOM 226 O THR A 14 -5.189 -0.964 9.559 1.00 0.00 O ATOM 227 CB THR A 14 -3.620 -2.970 11.256 1.00 0.00 C ATOM 228 OG1 THR A 14 -2.446 -3.101 12.075 1.00 0.00 O ATOM 229 CG2 THR A 14 -4.257 -4.336 11.050 1.00 0.00 C ATOM 0 H THR A 14 -2.571 -0.640 10.936 1.00 0.00 H new ATOM 0 HA THR A 14 -2.703 -3.075 9.317 1.00 0.00 H new ATOM 0 HB THR A 14 -4.344 -2.324 11.753 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.690 -3.505 12.934 1.00 0.00 H new ATOM 0 HG21 THR A 14 -4.515 -4.767 12.017 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.159 -4.230 10.447 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.553 -4.992 10.537 1.00 0.00 H new ATOM 237 N LEU A 15 -4.795 -2.576 8.046 1.00 0.00 N ATOM 238 CA LEU A 15 -5.963 -2.242 7.245 1.00 0.00 C ATOM 239 C LEU A 15 -6.669 -3.497 6.750 1.00 0.00 C ATOM 240 O LEU A 15 -6.190 -4.616 6.948 1.00 0.00 O ATOM 241 CB LEU A 15 -5.558 -1.383 6.043 1.00 0.00 C ATOM 242 CG LEU A 15 -4.937 -0.023 6.377 1.00 0.00 C ATOM 243 CD1 LEU A 15 -3.479 0.020 5.945 1.00 0.00 C ATOM 244 CD2 LEU A 15 -5.723 1.100 5.717 1.00 0.00 C ATOM 0 H LEU A 15 -4.240 -3.352 7.684 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.649 -1.682 7.881 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.848 -1.948 5.439 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.440 -1.217 5.425 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.979 0.117 7.457 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.055 0.994 6.191 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.922 -0.760 6.465 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.413 -0.143 4.869 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.267 2.058 5.966 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.714 0.964 4.636 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.752 1.084 6.076 1.00 0.00 H new ATOM 256 N GLU A 16 -7.802 -3.293 6.097 1.00 0.00 N ATOM 257 CA GLU A 16 -8.587 -4.383 5.549 1.00 0.00 C ATOM 258 C GLU A 16 -8.745 -4.180 4.047 1.00 0.00 C ATOM 259 O GLU A 16 -8.974 -3.059 3.586 1.00 0.00 O ATOM 260 CB GLU A 16 -9.956 -4.450 6.235 1.00 0.00 C ATOM 261 CG GLU A 16 -10.815 -5.617 5.776 1.00 0.00 C ATOM 262 CD GLU A 16 -12.067 -5.793 6.612 1.00 0.00 C ATOM 263 OE1 GLU A 16 -12.994 -4.965 6.488 1.00 0.00 O ATOM 264 OE2 GLU A 16 -12.131 -6.764 7.403 1.00 0.00 O ATOM 0 H GLU A 16 -8.201 -2.369 5.933 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.075 -5.328 5.729 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.809 -4.521 7.313 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.492 -3.520 6.047 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.098 -5.465 4.734 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.226 -6.533 5.816 1.00 0.00 H new ATOM 271 N VAL A 17 -8.624 -5.261 3.288 1.00 0.00 N ATOM 272 CA VAL A 17 -8.738 -5.205 1.832 1.00 0.00 C ATOM 273 C VAL A 17 -9.296 -6.514 1.304 1.00 0.00 C ATOM 274 O VAL A 17 -9.318 -7.517 2.013 1.00 0.00 O ATOM 275 CB VAL A 17 -7.380 -4.948 1.131 1.00 0.00 C ATOM 276 CG1 VAL A 17 -6.865 -3.543 1.403 1.00 0.00 C ATOM 277 CG2 VAL A 17 -6.355 -5.988 1.550 1.00 0.00 C ATOM 0 H VAL A 17 -8.446 -6.195 3.657 1.00 0.00 H new ATOM 0 HA VAL A 17 -9.404 -4.371 1.610 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.542 -5.035 0.057 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.911 -3.400 0.895 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.586 -2.813 1.033 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.729 -3.407 2.476 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.409 -5.790 1.047 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.209 -5.941 2.629 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.711 -6.981 1.275 1.00 0.00 H new ATOM 287 N GLU A 18 -9.749 -6.502 0.069 1.00 0.00 N ATOM 288 CA GLU A 18 -10.279 -7.698 -0.556 1.00 0.00 C ATOM 289 C GLU A 18 -9.380 -8.111 -1.711 1.00 0.00 C ATOM 290 O GLU A 18 -8.700 -7.272 -2.292 1.00 0.00 O ATOM 291 CB GLU A 18 -11.704 -7.455 -1.055 1.00 0.00 C ATOM 292 CG GLU A 18 -12.768 -7.724 -0.005 1.00 0.00 C ATOM 293 CD GLU A 18 -12.704 -9.136 0.537 1.00 0.00 C ATOM 294 OE1 GLU A 18 -13.281 -10.046 -0.094 1.00 0.00 O ATOM 295 OE2 GLU A 18 -12.071 -9.345 1.594 1.00 0.00 O ATOM 0 H GLU A 18 -9.761 -5.674 -0.526 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.307 -8.500 0.181 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.791 -6.422 -1.393 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -11.891 -8.090 -1.921 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.650 -7.017 0.816 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.753 -7.549 -0.437 1.00 0.00 H new ATOM 302 N PRO A 19 -9.343 -9.408 -2.054 1.00 0.00 N ATOM 303 CA PRO A 19 -8.523 -9.907 -3.166 1.00 0.00 C ATOM 304 C PRO A 19 -8.876 -9.245 -4.503 1.00 0.00 C ATOM 305 O PRO A 19 -8.147 -9.379 -5.486 1.00 0.00 O ATOM 306 CB PRO A 19 -8.846 -11.403 -3.210 1.00 0.00 C ATOM 307 CG PRO A 19 -9.341 -11.729 -1.843 1.00 0.00 C ATOM 308 CD PRO A 19 -10.059 -10.500 -1.367 1.00 0.00 C ATOM 0 HA PRO A 19 -7.466 -9.690 -3.014 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -9.600 -11.622 -3.966 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.963 -11.991 -3.461 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -10.010 -12.590 -1.864 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.516 -11.982 -1.178 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -11.115 -10.521 -1.635 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.007 -10.397 -0.283 1.00 0.00 H new ATOM 316 N SER A 20 -9.999 -8.536 -4.537 1.00 0.00 N ATOM 317 CA SER A 20 -10.440 -7.853 -5.743 1.00 0.00 C ATOM 318 C SER A 20 -10.195 -6.345 -5.641 1.00 0.00 C ATOM 319 O SER A 20 -10.703 -5.568 -6.448 1.00 0.00 O ATOM 320 CB SER A 20 -11.925 -8.127 -5.978 1.00 0.00 C ATOM 321 OG SER A 20 -12.211 -9.515 -5.877 1.00 0.00 O ATOM 0 H SER A 20 -10.622 -8.420 -3.738 1.00 0.00 H new ATOM 0 HA SER A 20 -9.863 -8.234 -6.585 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.519 -7.576 -5.249 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.213 -7.764 -6.964 1.00 0.00 H new ATOM 0 HG SER A 20 -13.168 -9.664 -6.030 1.00 0.00 H new ATOM 327 N ASP A 21 -9.418 -5.936 -4.644 1.00 0.00 N ATOM 328 CA ASP A 21 -9.112 -4.522 -4.447 1.00 0.00 C ATOM 329 C ASP A 21 -8.031 -4.065 -5.419 1.00 0.00 C ATOM 330 O ASP A 21 -7.272 -4.878 -5.954 1.00 0.00 O ATOM 331 CB ASP A 21 -8.646 -4.256 -3.009 1.00 0.00 C ATOM 332 CG ASP A 21 -9.709 -3.603 -2.148 1.00 0.00 C ATOM 333 OD1 ASP A 21 -10.530 -2.832 -2.683 1.00 0.00 O ATOM 334 OD2 ASP A 21 -9.725 -3.851 -0.923 1.00 0.00 O ATOM 0 H ASP A 21 -8.989 -6.561 -3.961 1.00 0.00 H new ATOM 0 HA ASP A 21 -10.026 -3.958 -4.634 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.345 -5.198 -2.551 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.763 -3.617 -3.032 1.00 0.00 H new ATOM 339 N THR A 22 -7.971 -2.767 -5.656 1.00 0.00 N ATOM 340 CA THR A 22 -6.976 -2.201 -6.545 1.00 0.00 C ATOM 341 C THR A 22 -5.939 -1.435 -5.736 1.00 0.00 C ATOM 342 O THR A 22 -6.185 -1.096 -4.576 1.00 0.00 O ATOM 343 CB THR A 22 -7.619 -1.257 -7.577 1.00 0.00 C ATOM 344 OG1 THR A 22 -8.598 -0.427 -6.939 1.00 0.00 O ATOM 345 CG2 THR A 22 -8.271 -2.045 -8.700 1.00 0.00 C ATOM 0 H THR A 22 -8.604 -2.083 -5.242 1.00 0.00 H new ATOM 0 HA THR A 22 -6.498 -3.021 -7.081 1.00 0.00 H new ATOM 0 HB THR A 22 -6.834 -0.632 -8.002 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.001 0.172 -7.602 1.00 0.00 H new ATOM 0 HG21 THR A 22 -8.718 -1.356 -9.416 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.519 -2.653 -9.203 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.045 -2.693 -8.288 1.00 0.00 H new ATOM 353 N ILE A 23 -4.788 -1.163 -6.341 1.00 0.00 N ATOM 354 CA ILE A 23 -3.724 -0.431 -5.661 1.00 0.00 C ATOM 355 C ILE A 23 -4.223 0.944 -5.209 1.00 0.00 C ATOM 356 O ILE A 23 -3.965 1.376 -4.083 1.00 0.00 O ATOM 357 CB ILE A 23 -2.485 -0.266 -6.573 1.00 0.00 C ATOM 358 CG1 ILE A 23 -1.987 -1.635 -7.059 1.00 0.00 C ATOM 359 CG2 ILE A 23 -1.369 0.480 -5.850 1.00 0.00 C ATOM 360 CD1 ILE A 23 -1.690 -2.614 -5.943 1.00 0.00 C ATOM 0 H ILE A 23 -4.568 -1.437 -7.298 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.431 -1.011 -4.786 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.781 0.324 -7.440 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.737 -2.070 -7.719 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.084 -1.492 -7.653 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.510 0.582 -6.514 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.722 1.469 -5.558 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.076 -0.077 -4.960 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.344 -3.556 -6.368 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.917 -2.203 -5.294 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.596 -2.789 -5.362 1.00 0.00 H new ATOM 372 N GLU A 24 -4.964 1.606 -6.089 1.00 0.00 N ATOM 373 CA GLU A 24 -5.519 2.920 -5.799 1.00 0.00 C ATOM 374 C GLU A 24 -6.526 2.846 -4.650 1.00 0.00 C ATOM 375 O GLU A 24 -6.558 3.718 -3.779 1.00 0.00 O ATOM 376 CB GLU A 24 -6.192 3.479 -7.053 1.00 0.00 C ATOM 377 CG GLU A 24 -6.795 4.858 -6.857 1.00 0.00 C ATOM 378 CD GLU A 24 -7.534 5.356 -8.079 1.00 0.00 C ATOM 379 OE1 GLU A 24 -8.714 4.990 -8.254 1.00 0.00 O ATOM 380 OE2 GLU A 24 -6.936 6.112 -8.873 1.00 0.00 O ATOM 0 H GLU A 24 -5.195 1.250 -7.016 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.708 3.582 -5.496 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.459 3.523 -7.859 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.975 2.791 -7.372 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.480 4.832 -6.010 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.003 5.563 -6.605 1.00 0.00 H new ATOM 387 N ASN A 25 -7.342 1.796 -4.657 1.00 0.00 N ATOM 388 CA ASN A 25 -8.352 1.603 -3.619 1.00 0.00 C ATOM 389 C ASN A 25 -7.707 1.502 -2.241 1.00 0.00 C ATOM 390 O ASN A 25 -8.226 2.043 -1.266 1.00 0.00 O ATOM 391 CB ASN A 25 -9.193 0.355 -3.895 1.00 0.00 C ATOM 392 CG ASN A 25 -10.676 0.605 -3.684 1.00 0.00 C ATOM 393 OD1 ASN A 25 -11.150 1.737 -3.798 1.00 0.00 O ATOM 394 ND2 ASN A 25 -11.422 -0.444 -3.383 1.00 0.00 N ATOM 0 H ASN A 25 -7.324 1.066 -5.369 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.008 2.474 -3.634 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.024 0.024 -4.920 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -8.866 -0.454 -3.241 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -12.425 -0.331 -3.237 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.994 -1.366 -3.297 1.00 0.00 H new ATOM 401 N VAL A 26 -6.575 0.810 -2.164 1.00 0.00 N ATOM 402 CA VAL A 26 -5.859 0.665 -0.902 1.00 0.00 C ATOM 403 C VAL A 26 -5.310 2.020 -0.461 1.00 0.00 C ATOM 404 O VAL A 26 -5.414 2.396 0.708 1.00 0.00 O ATOM 405 CB VAL A 26 -4.701 -0.353 -1.017 1.00 0.00 C ATOM 406 CG1 VAL A 26 -4.006 -0.537 0.323 1.00 0.00 C ATOM 407 CG2 VAL A 26 -5.210 -1.690 -1.538 1.00 0.00 C ATOM 0 H VAL A 26 -6.135 0.343 -2.957 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.563 0.290 -0.159 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.975 0.042 -1.728 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.195 -1.258 0.216 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.601 0.418 0.657 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.723 -0.904 1.057 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.379 -2.392 -1.611 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.960 -2.086 -0.853 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.656 -1.551 -2.523 1.00 0.00 H new ATOM 417 N LYS A 27 -4.728 2.740 -1.415 1.00 0.00 N ATOM 418 CA LYS A 27 -4.169 4.067 -1.165 1.00 0.00 C ATOM 419 C LYS A 27 -5.189 4.992 -0.506 1.00 0.00 C ATOM 420 O LYS A 27 -4.849 5.766 0.392 1.00 0.00 O ATOM 421 CB LYS A 27 -3.683 4.695 -2.468 1.00 0.00 C ATOM 422 CG LYS A 27 -2.314 4.211 -2.911 1.00 0.00 C ATOM 423 CD LYS A 27 -1.769 5.069 -4.038 1.00 0.00 C ATOM 424 CE LYS A 27 -0.320 4.736 -4.341 1.00 0.00 C ATOM 425 NZ LYS A 27 0.247 5.640 -5.375 1.00 0.00 N ATOM 0 H LYS A 27 -4.630 2.423 -2.380 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.328 3.941 -0.483 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.406 4.480 -3.255 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.654 5.778 -2.349 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.626 4.235 -2.066 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.380 3.174 -3.239 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.372 4.921 -4.934 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.853 6.122 -3.768 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.270 4.813 -3.428 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.247 3.703 -4.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.620 5.074 -6.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.497 6.276 -5.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.016 6.203 -4.960 1.00 0.00 H new ATOM 439 N ALA A 28 -6.441 4.908 -0.948 1.00 0.00 N ATOM 440 CA ALA A 28 -7.504 5.736 -0.393 1.00 0.00 C ATOM 441 C ALA A 28 -7.734 5.394 1.073 1.00 0.00 C ATOM 442 O ALA A 28 -7.897 6.282 1.911 1.00 0.00 O ATOM 443 CB ALA A 28 -8.787 5.554 -1.187 1.00 0.00 C ATOM 0 H ALA A 28 -6.743 4.275 -1.689 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.200 6.780 -0.461 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.571 6.179 -0.760 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.617 5.843 -2.224 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.094 4.509 -1.147 1.00 0.00 H new ATOM 449 N LYS A 29 -7.754 4.097 1.362 1.00 0.00 N ATOM 450 CA LYS A 29 -7.940 3.611 2.728 1.00 0.00 C ATOM 451 C LYS A 29 -6.836 4.154 3.633 1.00 0.00 C ATOM 452 O LYS A 29 -7.101 4.653 4.729 1.00 0.00 O ATOM 453 CB LYS A 29 -7.934 2.082 2.765 1.00 0.00 C ATOM 454 CG LYS A 29 -8.934 1.446 1.814 1.00 0.00 C ATOM 455 CD LYS A 29 -9.031 -0.058 2.023 1.00 0.00 C ATOM 456 CE LYS A 29 -9.627 -0.756 0.809 1.00 0.00 C ATOM 457 NZ LYS A 29 -10.095 -2.131 1.132 1.00 0.00 N ATOM 0 H LYS A 29 -7.643 3.359 0.666 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.907 3.964 3.088 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.934 1.725 2.519 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.150 1.751 3.781 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.915 1.898 1.962 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.640 1.652 0.785 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.039 -0.462 2.225 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.644 -0.265 2.900 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.462 -0.169 0.427 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.881 -0.804 0.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.755 -2.793 0.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.723 -2.415 2.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.135 -2.147 1.156 1.00 0.00 H new ATOM 471 N ILE A 30 -5.596 4.032 3.165 1.00 0.00 N ATOM 472 CA ILE A 30 -4.438 4.529 3.904 1.00 0.00 C ATOM 473 C ILE A 30 -4.532 6.044 4.096 1.00 0.00 C ATOM 474 O ILE A 30 -4.217 6.565 5.166 1.00 0.00 O ATOM 475 CB ILE A 30 -3.112 4.180 3.192 1.00 0.00 C ATOM 476 CG1 ILE A 30 -2.997 2.664 3.007 1.00 0.00 C ATOM 477 CG2 ILE A 30 -1.921 4.716 3.982 1.00 0.00 C ATOM 478 CD1 ILE A 30 -1.800 2.238 2.185 1.00 0.00 C ATOM 0 H ILE A 30 -5.367 3.592 2.274 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.443 4.038 4.877 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.109 4.653 2.210 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.940 2.191 3.987 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.904 2.296 2.528 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.996 4.460 3.465 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.000 5.800 4.069 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.915 4.271 4.977 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.786 1.152 2.098 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.865 2.681 1.191 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.885 2.574 2.673 1.00 0.00 H new ATOM 490 N GLN A 31 -4.974 6.741 3.055 1.00 0.00 N ATOM 491 CA GLN A 31 -5.127 8.195 3.103 1.00 0.00 C ATOM 492 C GLN A 31 -6.142 8.595 4.174 1.00 0.00 C ATOM 493 O GLN A 31 -5.966 9.591 4.874 1.00 0.00 O ATOM 494 CB GLN A 31 -5.578 8.719 1.739 1.00 0.00 C ATOM 495 CG GLN A 31 -5.807 10.222 1.697 1.00 0.00 C ATOM 496 CD GLN A 31 -6.909 10.613 0.735 1.00 0.00 C ATOM 497 OE1 GLN A 31 -7.143 9.947 -0.273 1.00 0.00 O ATOM 498 NE2 GLN A 31 -7.589 11.701 1.040 1.00 0.00 N ATOM 0 H GLN A 31 -5.234 6.322 2.162 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.162 8.635 3.356 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.827 8.456 0.994 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.501 8.213 1.454 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.059 10.576 2.697 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.882 10.719 1.406 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.362 12.224 1.886 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.342 12.020 0.430 1.00 0.00 H new ATOM 507 N ASP A 32 -7.202 7.809 4.289 1.00 0.00 N ATOM 508 CA ASP A 32 -8.240 8.072 5.279 1.00 0.00 C ATOM 509 C ASP A 32 -7.682 7.901 6.685 1.00 0.00 C ATOM 510 O ASP A 32 -7.906 8.736 7.561 1.00 0.00 O ATOM 511 CB ASP A 32 -9.439 7.144 5.090 1.00 0.00 C ATOM 512 CG ASP A 32 -10.548 7.446 6.080 1.00 0.00 C ATOM 513 OD1 ASP A 32 -10.533 6.885 7.199 1.00 0.00 O ATOM 514 OD2 ASP A 32 -11.436 8.258 5.746 1.00 0.00 O ATOM 0 H ASP A 32 -7.367 6.985 3.711 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.575 9.100 5.141 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.821 7.246 4.074 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.119 6.109 5.207 1.00 0.00 H new ATOM 519 N LYS A 33 -6.950 6.814 6.880 1.00 0.00 N ATOM 520 CA LYS A 33 -6.349 6.515 8.174 1.00 0.00 C ATOM 521 C LYS A 33 -5.269 7.533 8.541 1.00 0.00 C ATOM 522 O LYS A 33 -5.344 8.173 9.591 1.00 0.00 O ATOM 523 CB LYS A 33 -5.765 5.101 8.192 1.00 0.00 C ATOM 524 CG LYS A 33 -6.827 4.013 8.203 1.00 0.00 C ATOM 525 CD LYS A 33 -6.405 2.817 9.044 1.00 0.00 C ATOM 526 CE LYS A 33 -7.549 1.827 9.209 1.00 0.00 C ATOM 527 NZ LYS A 33 -7.244 0.780 10.221 1.00 0.00 N ATOM 0 H LYS A 33 -6.757 6.121 6.157 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.142 6.577 8.920 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.127 4.968 7.318 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.130 4.989 9.071 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.760 4.420 8.593 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.024 3.687 7.182 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.556 2.320 8.574 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.072 3.158 10.024 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.451 2.363 9.504 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.758 1.353 8.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.127 0.323 10.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.611 0.068 9.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.780 1.216 11.043 1.00 0.00 H new ATOM 541 N GLU A 34 -4.277 7.691 7.674 1.00 0.00 N ATOM 542 CA GLU A 34 -3.182 8.622 7.928 1.00 0.00 C ATOM 543 C GLU A 34 -3.540 10.047 7.514 1.00 0.00 C ATOM 544 O GLU A 34 -3.863 10.885 8.355 1.00 0.00 O ATOM 545 CB GLU A 34 -1.921 8.167 7.190 1.00 0.00 C ATOM 546 CG GLU A 34 -1.344 6.865 7.721 1.00 0.00 C ATOM 547 CD GLU A 34 -1.054 6.925 9.206 1.00 0.00 C ATOM 548 OE1 GLU A 34 -0.504 7.947 9.669 1.00 0.00 O ATOM 549 OE2 GLU A 34 -1.371 5.951 9.918 1.00 0.00 O ATOM 0 H GLU A 34 -4.207 7.188 6.790 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.996 8.624 9.002 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.152 8.048 6.132 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.164 8.948 7.265 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.044 6.053 7.523 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.425 6.632 7.183 1.00 0.00 H new ATOM 556 N GLY A 35 -3.486 10.311 6.215 1.00 0.00 N ATOM 557 CA GLY A 35 -3.787 11.638 5.710 1.00 0.00 C ATOM 558 C GLY A 35 -2.933 11.990 4.510 1.00 0.00 C ATOM 559 O GLY A 35 -3.193 12.971 3.814 1.00 0.00 O ATOM 0 H GLY A 35 -3.238 9.628 5.499 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.840 11.692 5.435 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.626 12.372 6.499 1.00 0.00 H new ATOM 563 N ILE A 36 -1.907 11.182 4.277 1.00 0.00 N ATOM 564 CA ILE A 36 -0.996 11.385 3.158 1.00 0.00 C ATOM 565 C ILE A 36 -1.711 11.139 1.831 1.00 0.00 C ATOM 566 O ILE A 36 -2.297 10.075 1.629 1.00 0.00 O ATOM 567 CB ILE A 36 0.222 10.442 3.263 1.00 0.00 C ATOM 568 CG1 ILE A 36 0.879 10.586 4.637 1.00 0.00 C ATOM 569 CG2 ILE A 36 1.228 10.735 2.156 1.00 0.00 C ATOM 570 CD1 ILE A 36 1.554 9.324 5.124 1.00 0.00 C ATOM 0 H ILE A 36 -1.683 10.372 4.855 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.651 12.418 3.195 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.122 9.415 3.144 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.616 11.388 4.595 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.122 10.886 5.362 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.078 10.059 2.249 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.754 10.590 1.185 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.573 11.766 2.241 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.997 9.503 6.104 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.818 8.524 5.199 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.335 9.034 4.421 1.00 0.00 H new ATOM 582 N PRO A 37 -1.687 12.128 0.920 1.00 0.00 N ATOM 583 CA PRO A 37 -2.330 12.015 -0.396 1.00 0.00 C ATOM 584 C PRO A 37 -1.776 10.845 -1.211 1.00 0.00 C ATOM 585 O PRO A 37 -0.572 10.587 -1.194 1.00 0.00 O ATOM 586 CB PRO A 37 -1.995 13.344 -1.084 1.00 0.00 C ATOM 587 CG PRO A 37 -1.646 14.280 0.019 1.00 0.00 C ATOM 588 CD PRO A 37 -1.036 13.437 1.101 1.00 0.00 C ATOM 0 HA PRO A 37 -3.400 11.827 -0.306 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.164 13.228 -1.780 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.843 13.714 -1.660 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.946 15.042 -0.323 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.531 14.801 0.383 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.046 13.366 0.993 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.231 13.850 2.091 1.00 0.00 H new ATOM 596 N PRO A 38 -2.655 10.115 -1.923 1.00 0.00 N ATOM 597 CA PRO A 38 -2.264 8.966 -2.757 1.00 0.00 C ATOM 598 C PRO A 38 -1.133 9.274 -3.741 1.00 0.00 C ATOM 599 O PRO A 38 -0.362 8.383 -4.104 1.00 0.00 O ATOM 600 CB PRO A 38 -3.545 8.633 -3.522 1.00 0.00 C ATOM 601 CG PRO A 38 -4.643 9.107 -2.639 1.00 0.00 C ATOM 602 CD PRO A 38 -4.117 10.330 -1.943 1.00 0.00 C ATOM 0 HA PRO A 38 -1.876 8.153 -2.143 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.570 9.134 -4.490 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.625 7.563 -3.715 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.536 9.342 -3.219 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.924 8.339 -1.919 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.381 11.242 -2.479 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.523 10.424 -0.936 1.00 0.00 H new ATOM 610 N ASP A 39 -1.009 10.540 -4.138 1.00 0.00 N ATOM 611 CA ASP A 39 0.026 10.947 -5.092 1.00 0.00 C ATOM 612 C ASP A 39 1.409 10.869 -4.454 1.00 0.00 C ATOM 613 O ASP A 39 2.420 10.730 -5.142 1.00 0.00 O ATOM 614 CB ASP A 39 -0.226 12.372 -5.601 1.00 0.00 C ATOM 615 CG ASP A 39 -1.358 12.458 -6.608 1.00 0.00 C ATOM 616 OD1 ASP A 39 -1.311 11.750 -7.635 1.00 0.00 O ATOM 617 OD2 ASP A 39 -2.300 13.249 -6.380 1.00 0.00 O ATOM 0 H ASP A 39 -1.609 11.300 -3.816 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.015 10.260 -5.937 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.453 13.018 -4.753 1.00 0.00 H new ATOM 0 HB3 ASP A 39 0.687 12.754 -6.058 1.00 0.00 H new ATOM 622 N GLN A 40 1.446 10.953 -3.129 1.00 0.00 N ATOM 623 CA GLN A 40 2.698 10.888 -2.388 1.00 0.00 C ATOM 624 C GLN A 40 2.916 9.480 -1.843 1.00 0.00 C ATOM 625 O GLN A 40 3.932 9.195 -1.205 1.00 0.00 O ATOM 626 CB GLN A 40 2.699 11.897 -1.233 1.00 0.00 C ATOM 627 CG GLN A 40 2.600 13.342 -1.687 1.00 0.00 C ATOM 628 CD GLN A 40 2.512 14.316 -0.528 1.00 0.00 C ATOM 629 OE1 GLN A 40 3.104 14.102 0.533 1.00 0.00 O ATOM 630 NE2 GLN A 40 1.767 15.392 -0.719 1.00 0.00 N ATOM 0 H GLN A 40 0.618 11.067 -2.544 1.00 0.00 H new ATOM 0 HA GLN A 40 3.510 11.138 -3.070 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.864 11.676 -0.568 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.612 11.770 -0.651 1.00 0.00 H new ATOM 0 HG2 GLN A 40 3.470 13.587 -2.297 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.722 13.459 -2.322 1.00 0.00 H new ATOM 0 HE21 GLN A 40 1.293 15.533 -1.611 1.00 0.00 H new ATOM 0 HE22 GLN A 40 1.666 16.081 0.026 1.00 0.00 H new ATOM 639 N GLN A 41 1.958 8.603 -2.111 1.00 0.00 N ATOM 640 CA GLN A 41 2.022 7.229 -1.643 1.00 0.00 C ATOM 641 C GLN A 41 2.634 6.319 -2.699 1.00 0.00 C ATOM 642 O GLN A 41 2.400 6.491 -3.895 1.00 0.00 O ATOM 643 CB GLN A 41 0.622 6.715 -1.299 1.00 0.00 C ATOM 644 CG GLN A 41 -0.024 7.381 -0.096 1.00 0.00 C ATOM 645 CD GLN A 41 -1.329 6.708 0.284 1.00 0.00 C ATOM 646 OE1 GLN A 41 -1.487 5.501 0.112 1.00 0.00 O ATOM 647 NE2 GLN A 41 -2.278 7.475 0.791 1.00 0.00 N ATOM 0 H GLN A 41 1.123 8.823 -2.654 1.00 0.00 H new ATOM 0 HA GLN A 41 2.649 7.215 -0.752 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.024 6.856 -2.165 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.679 5.642 -1.115 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.662 7.348 0.750 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.208 8.432 -0.317 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -2.112 8.473 0.920 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.176 7.069 1.053 1.00 0.00 H new ATOM 656 N ARG A 42 3.421 5.361 -2.250 1.00 0.00 N ATOM 657 CA ARG A 42 4.046 4.395 -3.137 1.00 0.00 C ATOM 658 C ARG A 42 3.967 3.022 -2.489 1.00 0.00 C ATOM 659 O ARG A 42 4.372 2.859 -1.341 1.00 0.00 O ATOM 660 CB ARG A 42 5.501 4.781 -3.419 1.00 0.00 C ATOM 661 CG ARG A 42 5.638 5.975 -4.351 1.00 0.00 C ATOM 662 CD ARG A 42 7.080 6.436 -4.479 1.00 0.00 C ATOM 663 NE ARG A 42 7.207 7.579 -5.381 1.00 0.00 N ATOM 664 CZ ARG A 42 8.288 7.838 -6.119 1.00 0.00 C ATOM 665 NH1 ARG A 42 9.351 7.043 -6.061 1.00 0.00 N ATOM 666 NH2 ARG A 42 8.309 8.902 -6.910 1.00 0.00 N ATOM 0 H ARG A 42 3.646 5.229 -1.264 1.00 0.00 H new ATOM 0 HA ARG A 42 3.522 4.379 -4.092 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.999 5.006 -2.476 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.018 3.927 -3.856 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.253 5.712 -5.336 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.026 6.797 -3.979 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.464 6.705 -3.495 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.693 5.613 -4.846 1.00 0.00 H new ATOM 0 HE ARG A 42 6.417 8.221 -5.451 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.345 6.227 -5.449 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.173 7.249 -6.629 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.500 9.521 -6.954 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.135 9.101 -7.475 1.00 0.00 H new ATOM 680 N LEU A 43 3.456 2.038 -3.215 1.00 0.00 N ATOM 681 CA LEU A 43 3.305 0.697 -2.665 1.00 0.00 C ATOM 682 C LEU A 43 4.367 -0.251 -3.210 1.00 0.00 C ATOM 683 O LEU A 43 4.415 -0.538 -4.404 1.00 0.00 O ATOM 684 CB LEU A 43 1.899 0.157 -2.950 1.00 0.00 C ATOM 685 CG LEU A 43 0.887 0.375 -1.822 1.00 0.00 C ATOM 686 CD1 LEU A 43 -0.528 0.122 -2.316 1.00 0.00 C ATOM 687 CD2 LEU A 43 1.205 -0.532 -0.641 1.00 0.00 C ATOM 0 H LEU A 43 3.141 2.141 -4.180 1.00 0.00 H new ATOM 0 HA LEU A 43 3.442 0.760 -1.586 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.520 0.630 -3.856 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.970 -0.911 -3.154 1.00 0.00 H new ATOM 0 HG LEU A 43 0.957 1.412 -1.494 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.232 0.282 -1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.756 0.807 -3.132 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.611 -0.905 -2.671 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.477 -0.365 0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.162 -1.573 -0.960 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.205 -0.308 -0.269 1.00 0.00 H new ATOM 699 N ILE A 44 5.237 -0.696 -2.321 1.00 0.00 N ATOM 700 CA ILE A 44 6.309 -1.612 -2.676 1.00 0.00 C ATOM 701 C ILE A 44 6.117 -2.960 -1.984 1.00 0.00 C ATOM 702 O ILE A 44 5.864 -3.027 -0.779 1.00 0.00 O ATOM 703 CB ILE A 44 7.696 -1.024 -2.310 1.00 0.00 C ATOM 704 CG1 ILE A 44 8.046 0.152 -3.227 1.00 0.00 C ATOM 705 CG2 ILE A 44 8.781 -2.087 -2.388 1.00 0.00 C ATOM 706 CD1 ILE A 44 7.387 1.455 -2.830 1.00 0.00 C ATOM 0 H ILE A 44 5.222 -0.434 -1.335 1.00 0.00 H new ATOM 0 HA ILE A 44 6.272 -1.759 -3.755 1.00 0.00 H new ATOM 0 HB ILE A 44 7.641 -0.664 -1.283 1.00 0.00 H new ATOM 0 HG12 ILE A 44 9.127 0.289 -3.230 1.00 0.00 H new ATOM 0 HG13 ILE A 44 7.754 -0.096 -4.247 1.00 0.00 H new ATOM 0 HG21 ILE A 44 9.743 -1.645 -2.126 1.00 0.00 H new ATOM 0 HG22 ILE A 44 8.551 -2.894 -1.692 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.828 -2.485 -3.402 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.683 2.240 -3.526 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.304 1.337 -2.855 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.699 1.728 -1.822 1.00 0.00 H new ATOM 718 N PHE A 45 6.219 -4.028 -2.758 1.00 0.00 N ATOM 719 CA PHE A 45 6.072 -5.372 -2.230 1.00 0.00 C ATOM 720 C PHE A 45 7.288 -6.212 -2.603 1.00 0.00 C ATOM 721 O PHE A 45 7.473 -6.560 -3.769 1.00 0.00 O ATOM 722 CB PHE A 45 4.793 -6.019 -2.768 1.00 0.00 C ATOM 723 CG PHE A 45 4.307 -7.172 -1.937 1.00 0.00 C ATOM 724 CD1 PHE A 45 3.511 -6.951 -0.826 1.00 0.00 C ATOM 725 CD2 PHE A 45 4.645 -8.475 -2.266 1.00 0.00 C ATOM 726 CE1 PHE A 45 3.060 -8.006 -0.058 1.00 0.00 C ATOM 727 CE2 PHE A 45 4.197 -9.535 -1.502 1.00 0.00 C ATOM 728 CZ PHE A 45 3.403 -9.301 -0.397 1.00 0.00 C ATOM 0 H PHE A 45 6.404 -3.988 -3.760 1.00 0.00 H new ATOM 0 HA PHE A 45 6.000 -5.318 -1.144 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.009 -5.264 -2.821 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.971 -6.365 -3.786 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.240 -5.941 -0.557 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.266 -8.664 -3.129 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.440 -7.819 0.806 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.468 -10.546 -1.769 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.051 -10.128 0.201 1.00 0.00 H new ATOM 738 N ALA A 46 8.125 -6.502 -1.609 1.00 0.00 N ATOM 739 CA ALA A 46 9.336 -7.302 -1.807 1.00 0.00 C ATOM 740 C ALA A 46 10.287 -6.640 -2.807 1.00 0.00 C ATOM 741 O ALA A 46 11.044 -7.312 -3.505 1.00 0.00 O ATOM 742 CB ALA A 46 8.977 -8.713 -2.262 1.00 0.00 C ATOM 0 H ALA A 46 7.986 -6.192 -0.647 1.00 0.00 H new ATOM 0 HA ALA A 46 9.853 -7.365 -0.849 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.889 -9.293 -2.404 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.356 -9.193 -1.505 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.428 -8.663 -3.203 1.00 0.00 H new ATOM 748 N GLY A 47 10.248 -5.317 -2.866 1.00 0.00 N ATOM 749 CA GLY A 47 11.105 -4.590 -3.780 1.00 0.00 C ATOM 750 C GLY A 47 10.408 -4.264 -5.083 1.00 0.00 C ATOM 751 O GLY A 47 10.823 -3.361 -5.811 1.00 0.00 O ATOM 0 H GLY A 47 9.637 -4.733 -2.296 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.437 -3.666 -3.307 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.998 -5.181 -3.986 1.00 0.00 H new ATOM 755 N LYS A 48 9.343 -4.996 -5.371 1.00 0.00 N ATOM 756 CA LYS A 48 8.579 -4.791 -6.588 1.00 0.00 C ATOM 757 C LYS A 48 7.605 -3.638 -6.401 1.00 0.00 C ATOM 758 O LYS A 48 6.813 -3.628 -5.455 1.00 0.00 O ATOM 759 CB LYS A 48 7.819 -6.068 -6.959 1.00 0.00 C ATOM 760 CG LYS A 48 8.675 -7.325 -6.902 1.00 0.00 C ATOM 761 CD LYS A 48 7.829 -8.585 -6.997 1.00 0.00 C ATOM 762 CE LYS A 48 8.645 -9.829 -6.675 1.00 0.00 C ATOM 763 NZ LYS A 48 7.830 -11.070 -6.763 1.00 0.00 N ATOM 0 H LYS A 48 8.988 -5.742 -4.773 1.00 0.00 H new ATOM 0 HA LYS A 48 9.266 -4.547 -7.398 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.971 -6.185 -6.284 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.413 -5.960 -7.965 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.399 -7.310 -7.717 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.243 -7.337 -5.972 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.987 -8.512 -6.308 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.413 -8.671 -8.001 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.487 -9.899 -7.364 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.061 -9.739 -5.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.425 -11.893 -6.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.041 -11.016 -6.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.453 -11.170 -7.727 1.00 0.00 H new ATOM 777 N GLN A 49 7.683 -2.661 -7.291 1.00 0.00 N ATOM 778 CA GLN A 49 6.810 -1.498 -7.229 1.00 0.00 C ATOM 779 C GLN A 49 5.422 -1.842 -7.753 1.00 0.00 C ATOM 780 O GLN A 49 5.274 -2.313 -8.883 1.00 0.00 O ATOM 781 CB GLN A 49 7.398 -0.339 -8.045 1.00 0.00 C ATOM 782 CG GLN A 49 6.493 0.885 -8.110 1.00 0.00 C ATOM 783 CD GLN A 49 6.954 1.900 -9.137 1.00 0.00 C ATOM 784 OE1 GLN A 49 7.717 2.813 -8.829 1.00 0.00 O ATOM 785 NE2 GLN A 49 6.492 1.748 -10.367 1.00 0.00 N ATOM 0 H GLN A 49 8.344 -2.650 -8.068 1.00 0.00 H new ATOM 0 HA GLN A 49 6.729 -1.192 -6.186 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.355 -0.050 -7.611 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.599 -0.685 -9.059 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.478 0.569 -8.348 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.457 1.358 -7.129 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.860 0.977 -10.583 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.768 2.402 -11.100 1.00 0.00 H new ATOM 794 N LEU A 50 4.413 -1.621 -6.925 1.00 0.00 N ATOM 795 CA LEU A 50 3.040 -1.886 -7.313 1.00 0.00 C ATOM 796 C LEU A 50 2.465 -0.649 -7.983 1.00 0.00 C ATOM 797 O LEU A 50 2.214 0.365 -7.328 1.00 0.00 O ATOM 798 CB LEU A 50 2.186 -2.273 -6.098 1.00 0.00 C ATOM 799 CG LEU A 50 2.799 -3.319 -5.158 1.00 0.00 C ATOM 800 CD1 LEU A 50 1.798 -3.725 -4.089 1.00 0.00 C ATOM 801 CD2 LEU A 50 3.270 -4.541 -5.932 1.00 0.00 C ATOM 0 H LEU A 50 4.521 -1.258 -5.978 1.00 0.00 H new ATOM 0 HA LEU A 50 3.027 -2.724 -8.009 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.978 -1.371 -5.522 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.228 -2.651 -6.456 1.00 0.00 H new ATOM 0 HG LEU A 50 3.666 -2.869 -4.674 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.249 -4.468 -3.431 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.513 -2.849 -3.506 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.913 -4.150 -4.562 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.700 -5.266 -5.241 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.424 -4.992 -6.450 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.024 -4.242 -6.660 1.00 0.00 H new ATOM 813 N GLU A 51 2.286 -0.727 -9.290 1.00 0.00 N ATOM 814 CA GLU A 51 1.759 0.393 -10.052 1.00 0.00 C ATOM 815 C GLU A 51 0.299 0.654 -9.693 1.00 0.00 C ATOM 816 O GLU A 51 -0.473 -0.280 -9.476 1.00 0.00 O ATOM 817 CB GLU A 51 1.914 0.132 -11.549 1.00 0.00 C ATOM 818 CG GLU A 51 3.366 0.008 -11.984 1.00 0.00 C ATOM 819 CD GLU A 51 3.518 -0.312 -13.456 1.00 0.00 C ATOM 820 OE1 GLU A 51 3.573 0.634 -14.269 1.00 0.00 O ATOM 821 OE2 GLU A 51 3.605 -1.510 -13.803 1.00 0.00 O ATOM 0 H GLU A 51 2.498 -1.555 -9.847 1.00 0.00 H new ATOM 0 HA GLU A 51 2.330 1.286 -9.796 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.383 -0.784 -11.809 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.442 0.943 -12.104 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.886 0.941 -11.765 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.850 -0.772 -11.396 1.00 0.00 H new ATOM 828 N ASP A 52 -0.065 1.930 -9.636 1.00 0.00 N ATOM 829 CA ASP A 52 -1.420 2.347 -9.280 1.00 0.00 C ATOM 830 C ASP A 52 -2.465 1.729 -10.199 1.00 0.00 C ATOM 831 O ASP A 52 -3.550 1.347 -9.754 1.00 0.00 O ATOM 832 CB ASP A 52 -1.527 3.870 -9.319 1.00 0.00 C ATOM 833 CG ASP A 52 -0.945 4.517 -8.081 1.00 0.00 C ATOM 834 OD1 ASP A 52 0.279 4.393 -7.851 1.00 0.00 O ATOM 835 OD2 ASP A 52 -1.702 5.154 -7.327 1.00 0.00 O ATOM 0 H ASP A 52 0.568 2.705 -9.835 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.618 1.992 -8.269 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.009 4.246 -10.201 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.574 4.156 -9.418 1.00 0.00 H new ATOM 840 N GLY A 53 -2.131 1.616 -11.476 1.00 0.00 N ATOM 841 CA GLY A 53 -3.050 1.039 -12.437 1.00 0.00 C ATOM 842 C GLY A 53 -2.972 -0.477 -12.476 1.00 0.00 C ATOM 843 O GLY A 53 -2.983 -1.081 -13.549 1.00 0.00 O ATOM 0 H GLY A 53 -1.237 1.915 -11.866 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.067 1.341 -12.189 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.832 1.437 -13.428 1.00 0.00 H new ATOM 847 N ARG A 54 -2.875 -1.093 -11.306 1.00 0.00 N ATOM 848 CA ARG A 54 -2.801 -2.541 -11.202 1.00 0.00 C ATOM 849 C ARG A 54 -3.745 -3.044 -10.120 1.00 0.00 C ATOM 850 O ARG A 54 -4.262 -2.264 -9.312 1.00 0.00 O ATOM 851 CB ARG A 54 -1.372 -2.992 -10.885 1.00 0.00 C ATOM 852 CG ARG A 54 -0.366 -2.692 -11.984 1.00 0.00 C ATOM 853 CD ARG A 54 -0.679 -3.463 -13.255 1.00 0.00 C ATOM 854 NE ARG A 54 0.337 -3.253 -14.283 1.00 0.00 N ATOM 855 CZ ARG A 54 0.241 -2.347 -15.256 1.00 0.00 C ATOM 856 NH1 ARG A 54 -0.817 -1.548 -15.332 1.00 0.00 N ATOM 857 NH2 ARG A 54 1.208 -2.240 -16.153 1.00 0.00 N ATOM 0 H ARG A 54 -2.846 -0.607 -10.410 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.098 -2.962 -12.163 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.045 -2.506 -9.966 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.376 -4.065 -10.694 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.367 -1.623 -12.197 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.636 -2.948 -11.640 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.750 -4.526 -13.026 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.652 -3.154 -13.637 1.00 0.00 H new ATOM 0 HE ARG A 54 1.173 -3.837 -14.255 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.565 -1.625 -14.642 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.882 -0.858 -16.080 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.024 -2.850 -16.099 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.138 -1.548 -16.899 1.00 0.00 H new ATOM 871 N THR A 55 -3.961 -4.346 -10.108 1.00 0.00 N ATOM 872 CA THR A 55 -4.834 -4.974 -9.137 1.00 0.00 C ATOM 873 C THR A 55 -4.025 -5.851 -8.185 1.00 0.00 C ATOM 874 O THR A 55 -2.831 -6.077 -8.402 1.00 0.00 O ATOM 875 CB THR A 55 -5.896 -5.838 -9.843 1.00 0.00 C ATOM 876 OG1 THR A 55 -5.260 -6.878 -10.601 1.00 0.00 O ATOM 877 CG2 THR A 55 -6.763 -4.994 -10.765 1.00 0.00 C ATOM 0 H THR A 55 -3.537 -4.996 -10.770 1.00 0.00 H new ATOM 0 HA THR A 55 -5.331 -4.186 -8.571 1.00 0.00 H new ATOM 0 HB THR A 55 -6.533 -6.281 -9.078 1.00 0.00 H new ATOM 0 HG1 THR A 55 -4.584 -6.485 -11.192 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.504 -5.629 -11.250 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.270 -4.224 -10.184 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.137 -4.523 -11.523 1.00 0.00 H new ATOM 885 N LEU A 56 -4.672 -6.359 -7.141 1.00 0.00 N ATOM 886 CA LEU A 56 -3.999 -7.221 -6.175 1.00 0.00 C ATOM 887 C LEU A 56 -3.789 -8.611 -6.765 1.00 0.00 C ATOM 888 O LEU A 56 -3.038 -9.424 -6.228 1.00 0.00 O ATOM 889 CB LEU A 56 -4.808 -7.321 -4.877 1.00 0.00 C ATOM 890 CG LEU A 56 -4.932 -6.021 -4.075 1.00 0.00 C ATOM 891 CD1 LEU A 56 -5.615 -6.288 -2.744 1.00 0.00 C ATOM 892 CD2 LEU A 56 -3.565 -5.388 -3.853 1.00 0.00 C ATOM 0 H LEU A 56 -5.658 -6.190 -6.942 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.029 -6.781 -5.945 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.810 -7.674 -5.120 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.349 -8.078 -4.241 1.00 0.00 H new ATOM 0 HG LEU A 56 -5.541 -5.321 -4.648 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.697 -5.357 -2.184 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.611 -6.694 -2.921 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.028 -7.005 -2.171 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.679 -4.467 -3.282 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.929 -6.080 -3.302 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.107 -5.163 -4.816 1.00 0.00 H new ATOM 904 N SER A 57 -4.441 -8.864 -7.890 1.00 0.00 N ATOM 905 CA SER A 57 -4.341 -10.147 -8.560 1.00 0.00 C ATOM 906 C SER A 57 -3.158 -10.165 -9.521 1.00 0.00 C ATOM 907 O SER A 57 -2.693 -11.231 -9.926 1.00 0.00 O ATOM 908 CB SER A 57 -5.641 -10.428 -9.311 1.00 0.00 C ATOM 909 OG SER A 57 -6.436 -9.253 -9.394 1.00 0.00 O ATOM 0 H SER A 57 -5.048 -8.191 -8.359 1.00 0.00 H new ATOM 0 HA SER A 57 -4.178 -10.925 -7.814 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.416 -10.793 -10.313 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.198 -11.215 -8.803 1.00 0.00 H new ATOM 0 HG SER A 57 -5.941 -8.556 -9.874 1.00 0.00 H new ATOM 915 N ASP A 58 -2.657 -8.979 -9.857 1.00 0.00 N ATOM 916 CA ASP A 58 -1.536 -8.850 -10.783 1.00 0.00 C ATOM 917 C ASP A 58 -0.259 -9.412 -10.181 1.00 0.00 C ATOM 918 O ASP A 58 0.413 -10.240 -10.792 1.00 0.00 O ATOM 919 CB ASP A 58 -1.318 -7.386 -11.173 1.00 0.00 C ATOM 920 CG ASP A 58 -2.256 -6.926 -12.270 1.00 0.00 C ATOM 921 OD1 ASP A 58 -2.149 -7.435 -13.406 1.00 0.00 O ATOM 922 OD2 ASP A 58 -3.104 -6.052 -12.003 1.00 0.00 O ATOM 0 H ASP A 58 -3.011 -8.091 -9.500 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.783 -9.424 -11.676 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.457 -6.756 -10.294 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.288 -7.252 -11.502 1.00 0.00 H new ATOM 927 N TYR A 59 0.079 -8.958 -8.982 1.00 0.00 N ATOM 928 CA TYR A 59 1.283 -9.418 -8.305 1.00 0.00 C ATOM 929 C TYR A 59 0.972 -10.589 -7.379 1.00 0.00 C ATOM 930 O TYR A 59 1.830 -11.028 -6.614 1.00 0.00 O ATOM 931 CB TYR A 59 1.905 -8.271 -7.502 1.00 0.00 C ATOM 932 CG TYR A 59 2.063 -6.985 -8.286 1.00 0.00 C ATOM 933 CD1 TYR A 59 1.044 -6.041 -8.320 1.00 0.00 C ATOM 934 CD2 TYR A 59 3.233 -6.713 -8.984 1.00 0.00 C ATOM 935 CE1 TYR A 59 1.185 -4.864 -9.030 1.00 0.00 C ATOM 936 CE2 TYR A 59 3.381 -5.537 -9.695 1.00 0.00 C ATOM 937 CZ TYR A 59 2.355 -4.616 -9.714 1.00 0.00 C ATOM 938 OH TYR A 59 2.502 -3.446 -10.423 1.00 0.00 O ATOM 0 H TYR A 59 -0.464 -8.271 -8.458 1.00 0.00 H new ATOM 0 HA TYR A 59 1.992 -9.755 -9.061 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.286 -8.077 -6.626 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.883 -8.585 -7.138 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.127 -6.230 -7.783 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.039 -7.431 -8.971 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.382 -4.142 -9.049 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.296 -5.340 -10.233 1.00 0.00 H new ATOM 0 HH TYR A 59 3.386 -3.428 -10.846 1.00 0.00 H new ATOM 948 N ASN A 60 -0.265 -11.078 -7.458 1.00 0.00 N ATOM 949 CA ASN A 60 -0.726 -12.201 -6.637 1.00 0.00 C ATOM 950 C ASN A 60 -0.564 -11.893 -5.150 1.00 0.00 C ATOM 951 O ASN A 60 0.220 -12.533 -4.445 1.00 0.00 O ATOM 952 CB ASN A 60 0.023 -13.489 -7.002 1.00 0.00 C ATOM 953 CG ASN A 60 -0.710 -14.739 -6.548 1.00 0.00 C ATOM 954 OD1 ASN A 60 -0.544 -15.204 -5.416 1.00 0.00 O ATOM 955 ND2 ASN A 60 -1.515 -15.304 -7.433 1.00 0.00 N ATOM 0 H ASN A 60 -0.975 -10.709 -8.090 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.786 -12.351 -6.842 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.166 -13.528 -8.082 1.00 0.00 H new ATOM 0 HB3 ASN A 60 1.014 -13.469 -6.550 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.024 -16.154 -7.190 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.626 -14.890 -8.359 1.00 0.00 H new ATOM 962 N ILE A 61 -1.302 -10.895 -4.683 1.00 0.00 N ATOM 963 CA ILE A 61 -1.249 -10.494 -3.284 1.00 0.00 C ATOM 964 C ILE A 61 -2.232 -11.324 -2.468 1.00 0.00 C ATOM 965 O ILE A 61 -3.423 -11.376 -2.781 1.00 0.00 O ATOM 966 CB ILE A 61 -1.561 -8.988 -3.108 1.00 0.00 C ATOM 967 CG1 ILE A 61 -0.628 -8.142 -3.984 1.00 0.00 C ATOM 968 CG2 ILE A 61 -1.440 -8.577 -1.644 1.00 0.00 C ATOM 969 CD1 ILE A 61 0.841 -8.286 -3.640 1.00 0.00 C ATOM 0 H ILE A 61 -1.946 -10.347 -5.254 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.234 -10.669 -2.926 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.589 -8.812 -3.426 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.775 -8.420 -5.028 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.911 -7.094 -3.891 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.664 -7.515 -1.545 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.144 -9.154 -1.045 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.425 -8.768 -1.295 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.434 -7.657 -4.304 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.005 -7.979 -2.607 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.143 -9.326 -3.761 1.00 0.00 H new ATOM 981 N GLN A 62 -1.725 -11.974 -1.432 1.00 0.00 N ATOM 982 CA GLN A 62 -2.545 -12.826 -0.580 1.00 0.00 C ATOM 983 C GLN A 62 -2.902 -12.113 0.720 1.00 0.00 C ATOM 984 O GLN A 62 -2.548 -10.948 0.921 1.00 0.00 O ATOM 985 CB GLN A 62 -1.800 -14.131 -0.263 1.00 0.00 C ATOM 986 CG GLN A 62 -0.724 -14.493 -1.279 1.00 0.00 C ATOM 987 CD GLN A 62 0.628 -13.889 -0.944 1.00 0.00 C ATOM 988 OE1 GLN A 62 1.001 -13.774 0.223 1.00 0.00 O ATOM 989 NE2 GLN A 62 1.358 -13.469 -1.965 1.00 0.00 N ATOM 0 H GLN A 62 -0.743 -11.928 -1.158 1.00 0.00 H new ATOM 0 HA GLN A 62 -3.466 -13.055 -1.117 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.341 -14.045 0.722 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -2.522 -14.946 -0.208 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.630 -15.578 -1.331 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.034 -14.153 -2.267 1.00 0.00 H new ATOM 0 HE21 GLN A 62 1.014 -13.582 -2.919 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.264 -13.032 -1.798 1.00 0.00 H new ATOM 998 N LYS A 63 -3.611 -12.810 1.595 1.00 0.00 N ATOM 999 CA LYS A 63 -3.994 -12.256 2.884 1.00 0.00 C ATOM 1000 C LYS A 63 -2.823 -12.340 3.854 1.00 0.00 C ATOM 1001 O LYS A 63 -1.926 -13.170 3.678 1.00 0.00 O ATOM 1002 CB LYS A 63 -5.203 -13.001 3.454 1.00 0.00 C ATOM 1003 CG LYS A 63 -5.006 -14.504 3.545 1.00 0.00 C ATOM 1004 CD LYS A 63 -6.112 -15.167 4.346 1.00 0.00 C ATOM 1005 CE LYS A 63 -5.906 -16.671 4.439 1.00 0.00 C ATOM 1006 NZ LYS A 63 -4.532 -17.023 4.889 1.00 0.00 N ATOM 0 H LYS A 63 -3.934 -13.764 1.434 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.268 -11.210 2.745 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.423 -12.611 4.448 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.073 -12.794 2.831 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.978 -14.929 2.542 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.043 -14.718 4.008 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.143 -14.740 5.348 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.075 -14.958 3.881 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.633 -17.093 5.133 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.095 -17.123 3.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.495 -18.033 5.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.855 -16.826 4.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.284 -16.456 5.725 1.00 0.00 H new ATOM 1020 N GLU A 64 -2.833 -11.473 4.866 1.00 0.00 N ATOM 1021 CA GLU A 64 -1.776 -11.435 5.879 1.00 0.00 C ATOM 1022 C GLU A 64 -0.432 -11.064 5.251 1.00 0.00 C ATOM 1023 O GLU A 64 0.624 -11.431 5.760 1.00 0.00 O ATOM 1024 CB GLU A 64 -1.659 -12.786 6.596 1.00 0.00 C ATOM 1025 CG GLU A 64 -2.971 -13.307 7.161 1.00 0.00 C ATOM 1026 CD GLU A 64 -2.879 -14.762 7.566 1.00 0.00 C ATOM 1027 OE1 GLU A 64 -2.402 -15.044 8.686 1.00 0.00 O ATOM 1028 OE2 GLU A 64 -3.256 -15.636 6.757 1.00 0.00 O ATOM 0 H GLU A 64 -3.569 -10.781 5.007 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.044 -10.671 6.609 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.259 -13.522 5.898 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.938 -12.692 7.408 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.256 -12.708 8.026 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.758 -13.187 6.417 1.00 0.00 H new ATOM 1035 N SER A 65 -0.480 -10.339 4.146 1.00 0.00 N ATOM 1036 CA SER A 65 0.734 -9.927 3.460 1.00 0.00 C ATOM 1037 C SER A 65 1.290 -8.638 4.061 1.00 0.00 C ATOM 1038 O SER A 65 0.549 -7.842 4.640 1.00 0.00 O ATOM 1039 CB SER A 65 0.459 -9.737 1.973 1.00 0.00 C ATOM 1040 OG SER A 65 0.038 -10.950 1.376 1.00 0.00 O ATOM 0 H SER A 65 -1.344 -10.024 3.705 1.00 0.00 H new ATOM 0 HA SER A 65 1.480 -10.712 3.586 1.00 0.00 H new ATOM 0 HB2 SER A 65 -0.308 -8.975 1.836 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.360 -9.376 1.476 1.00 0.00 H new ATOM 0 HG SER A 65 -0.827 -10.815 0.935 1.00 0.00 H new ATOM 1046 N THR A 66 2.592 -8.444 3.914 1.00 0.00 N ATOM 1047 CA THR A 66 3.252 -7.259 4.433 1.00 0.00 C ATOM 1048 C THR A 66 3.626 -6.324 3.290 1.00 0.00 C ATOM 1049 O THR A 66 4.552 -6.593 2.525 1.00 0.00 O ATOM 1050 CB THR A 66 4.513 -7.623 5.239 1.00 0.00 C ATOM 1051 OG1 THR A 66 4.240 -8.741 6.097 1.00 0.00 O ATOM 1052 CG2 THR A 66 4.968 -6.440 6.077 1.00 0.00 C ATOM 0 H THR A 66 3.214 -9.097 3.437 1.00 0.00 H new ATOM 0 HA THR A 66 2.554 -6.757 5.102 1.00 0.00 H new ATOM 0 HB THR A 66 5.306 -7.887 4.539 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.047 -8.968 6.605 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.860 -6.715 6.640 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.196 -5.598 5.424 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.175 -6.158 6.769 1.00 0.00 H new ATOM 1060 N LEU A 67 2.882 -5.241 3.163 1.00 0.00 N ATOM 1061 CA LEU A 67 3.124 -4.267 2.116 1.00 0.00 C ATOM 1062 C LEU A 67 3.921 -3.093 2.666 1.00 0.00 C ATOM 1063 O LEU A 67 3.688 -2.645 3.784 1.00 0.00 O ATOM 1064 CB LEU A 67 1.800 -3.776 1.523 1.00 0.00 C ATOM 1065 CG LEU A 67 0.907 -4.869 0.926 1.00 0.00 C ATOM 1066 CD1 LEU A 67 -0.194 -5.258 1.902 1.00 0.00 C ATOM 1067 CD2 LEU A 67 0.311 -4.407 -0.396 1.00 0.00 C ATOM 0 H LEU A 67 2.100 -5.013 3.777 1.00 0.00 H new ATOM 0 HA LEU A 67 3.701 -4.745 1.325 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.241 -3.258 2.302 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.018 -3.043 0.746 1.00 0.00 H new ATOM 0 HG LEU A 67 1.522 -5.749 0.738 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.816 -6.035 1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.252 -5.633 2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.808 -4.385 2.125 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.320 -5.195 -0.806 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.288 -3.511 -0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.114 -4.183 -1.099 1.00 0.00 H new ATOM 1079 N HIS A 68 4.873 -2.619 1.888 1.00 0.00 N ATOM 1080 CA HIS A 68 5.699 -1.497 2.305 1.00 0.00 C ATOM 1081 C HIS A 68 5.300 -0.232 1.567 1.00 0.00 C ATOM 1082 O HIS A 68 5.423 -0.148 0.347 1.00 0.00 O ATOM 1083 CB HIS A 68 7.181 -1.805 2.090 1.00 0.00 C ATOM 1084 CG HIS A 68 7.768 -2.651 3.178 1.00 0.00 C ATOM 1085 ND1 HIS A 68 7.843 -4.026 3.107 1.00 0.00 N ATOM 1086 CD2 HIS A 68 8.295 -2.311 4.379 1.00 0.00 C ATOM 1087 CE1 HIS A 68 8.387 -4.494 4.215 1.00 0.00 C ATOM 1088 NE2 HIS A 68 8.670 -3.475 5.001 1.00 0.00 N ATOM 0 H HIS A 68 5.096 -2.990 0.965 1.00 0.00 H new ATOM 0 HA HIS A 68 5.537 -1.334 3.371 1.00 0.00 H new ATOM 0 HB2 HIS A 68 7.305 -2.314 1.134 1.00 0.00 H new ATOM 0 HB3 HIS A 68 7.735 -0.869 2.027 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.400 -1.311 4.773 1.00 0.00 H new ATOM 0 HE1 HIS A 68 8.569 -5.535 4.439 1.00 0.00 H new ATOM 0 HE2 HIS A 68 9.099 -3.541 5.924 1.00 0.00 H new ATOM 1097 N LEU A 69 4.810 0.750 2.306 1.00 0.00 N ATOM 1098 CA LEU A 69 4.390 2.005 1.712 1.00 0.00 C ATOM 1099 C LEU A 69 5.485 3.052 1.859 1.00 0.00 C ATOM 1100 O LEU A 69 5.766 3.525 2.960 1.00 0.00 O ATOM 1101 CB LEU A 69 3.105 2.500 2.379 1.00 0.00 C ATOM 1102 CG LEU A 69 2.450 3.714 1.717 1.00 0.00 C ATOM 1103 CD1 LEU A 69 1.630 3.291 0.508 1.00 0.00 C ATOM 1104 CD2 LEU A 69 1.583 4.464 2.715 1.00 0.00 C ATOM 0 H LEU A 69 4.694 0.701 3.318 1.00 0.00 H new ATOM 0 HA LEU A 69 4.200 1.840 0.651 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.385 1.682 2.394 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.326 2.748 3.417 1.00 0.00 H new ATOM 0 HG LEU A 69 3.239 4.384 1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.173 4.170 0.053 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.279 2.802 -0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.849 2.598 0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.126 5.324 2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.802 3.802 3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.198 4.805 3.547 1.00 0.00 H new ATOM 1116 N VAL A 70 6.109 3.402 0.752 1.00 0.00 N ATOM 1117 CA VAL A 70 7.162 4.396 0.760 1.00 0.00 C ATOM 1118 C VAL A 70 6.551 5.778 0.601 1.00 0.00 C ATOM 1119 O VAL A 70 5.638 5.973 -0.203 1.00 0.00 O ATOM 1120 CB VAL A 70 8.199 4.134 -0.354 1.00 0.00 C ATOM 1121 CG1 VAL A 70 9.119 5.332 -0.545 1.00 0.00 C ATOM 1122 CG2 VAL A 70 9.008 2.886 -0.033 1.00 0.00 C ATOM 0 H VAL A 70 5.904 3.011 -0.167 1.00 0.00 H new ATOM 0 HA VAL A 70 7.687 4.335 1.713 1.00 0.00 H new ATOM 0 HB VAL A 70 7.661 3.976 -1.289 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.838 5.117 -1.336 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.527 6.205 -0.820 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.652 5.533 0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.736 2.711 -0.825 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.529 3.024 0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.340 2.028 0.042 1.00 0.00 H new ATOM 1132 N LEU A 71 7.049 6.729 1.371 1.00 0.00 N ATOM 1133 CA LEU A 71 6.543 8.086 1.324 1.00 0.00 C ATOM 1134 C LEU A 71 7.552 8.989 0.641 1.00 0.00 C ATOM 1135 O LEU A 71 8.559 9.370 1.236 1.00 0.00 O ATOM 1136 CB LEU A 71 6.251 8.599 2.738 1.00 0.00 C ATOM 1137 CG LEU A 71 5.290 7.739 3.563 1.00 0.00 C ATOM 1138 CD1 LEU A 71 5.080 8.348 4.940 1.00 0.00 C ATOM 1139 CD2 LEU A 71 3.960 7.581 2.842 1.00 0.00 C ATOM 0 H LEU A 71 7.807 6.584 2.038 1.00 0.00 H new ATOM 0 HA LEU A 71 5.614 8.093 0.755 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.194 8.681 3.279 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.838 9.605 2.663 1.00 0.00 H new ATOM 0 HG LEU A 71 5.733 6.751 3.686 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.394 7.724 5.513 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.036 8.409 5.460 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.659 9.348 4.835 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.290 6.967 3.444 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.511 8.562 2.687 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.124 7.101 1.877 1.00 0.00 H new ATOM 1151 N ARG A 72 7.291 9.314 -0.613 1.00 0.00 N ATOM 1152 CA ARG A 72 8.191 10.170 -1.362 1.00 0.00 C ATOM 1153 C ARG A 72 7.893 11.629 -1.060 1.00 0.00 C ATOM 1154 O ARG A 72 6.936 12.206 -1.583 1.00 0.00 O ATOM 1155 CB ARG A 72 8.084 9.903 -2.864 1.00 0.00 C ATOM 1156 CG ARG A 72 9.435 9.789 -3.554 1.00 0.00 C ATOM 1157 CD ARG A 72 10.200 11.101 -3.519 1.00 0.00 C ATOM 1158 NE ARG A 72 11.563 10.948 -4.024 1.00 0.00 N ATOM 1159 CZ ARG A 72 11.918 11.135 -5.296 1.00 0.00 C ATOM 1160 NH1 ARG A 72 11.009 11.479 -6.204 1.00 0.00 N ATOM 1161 NH2 ARG A 72 13.187 10.982 -5.656 1.00 0.00 N ATOM 0 H ARG A 72 6.470 9.001 -1.130 1.00 0.00 H new ATOM 0 HA ARG A 72 9.212 9.945 -1.054 1.00 0.00 H new ATOM 0 HB2 ARG A 72 7.524 8.981 -3.023 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.513 10.707 -3.329 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.026 9.011 -3.070 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.289 9.481 -4.589 1.00 0.00 H new ATOM 0 HD2 ARG A 72 9.673 11.845 -4.116 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.231 11.476 -2.496 1.00 0.00 H new ATOM 0 HE ARG A 72 12.290 10.681 -3.360 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.034 11.601 -5.929 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.287 11.621 -7.175 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.887 10.722 -4.961 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.462 11.124 -6.628 1.00 0.00 H new ATOM 1175 N LEU A 73 8.711 12.211 -0.203 1.00 0.00 N ATOM 1176 CA LEU A 73 8.543 13.598 0.188 1.00 0.00 C ATOM 1177 C LEU A 73 9.034 14.527 -0.914 1.00 0.00 C ATOM 1178 O LEU A 73 10.144 14.372 -1.426 1.00 0.00 O ATOM 1179 CB LEU A 73 9.293 13.874 1.492 1.00 0.00 C ATOM 1180 CG LEU A 73 8.920 12.959 2.665 1.00 0.00 C ATOM 1181 CD1 LEU A 73 9.877 13.166 3.829 1.00 0.00 C ATOM 1182 CD2 LEU A 73 7.483 13.209 3.105 1.00 0.00 C ATOM 0 H LEU A 73 9.502 11.742 0.238 1.00 0.00 H new ATOM 0 HA LEU A 73 7.482 13.787 0.349 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.363 13.780 1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.111 14.908 1.786 1.00 0.00 H new ATOM 0 HG LEU A 73 9.002 11.925 2.331 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.597 12.508 4.652 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.893 12.935 3.510 1.00 0.00 H new ATOM 0 HD13 LEU A 73 9.828 14.203 4.160 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.238 12.550 3.938 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.374 14.247 3.419 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.808 13.009 2.273 1.00 0.00 H new ATOM 1194 N ARG A 74 8.198 15.485 -1.279 1.00 0.00 N ATOM 1195 CA ARG A 74 8.537 16.440 -2.323 1.00 0.00 C ATOM 1196 C ARG A 74 9.378 17.574 -1.755 1.00 0.00 C ATOM 1197 O ARG A 74 10.042 18.301 -2.495 1.00 0.00 O ATOM 1198 CB ARG A 74 7.268 17.003 -2.959 1.00 0.00 C ATOM 1199 CG ARG A 74 6.443 15.968 -3.705 1.00 0.00 C ATOM 1200 CD ARG A 74 7.122 15.528 -4.991 1.00 0.00 C ATOM 1201 NE ARG A 74 6.203 14.796 -5.861 1.00 0.00 N ATOM 1202 CZ ARG A 74 6.130 14.960 -7.178 1.00 0.00 C ATOM 1203 NH1 ARG A 74 6.945 15.807 -7.793 1.00 0.00 N ATOM 1204 NH2 ARG A 74 5.244 14.267 -7.881 1.00 0.00 N ATOM 0 H ARG A 74 7.276 15.623 -0.866 1.00 0.00 H new ATOM 0 HA ARG A 74 9.116 15.922 -3.087 1.00 0.00 H new ATOM 0 HB2 ARG A 74 6.652 17.452 -2.180 1.00 0.00 H new ATOM 0 HB3 ARG A 74 7.542 17.801 -3.649 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.281 15.101 -3.064 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.461 16.382 -3.935 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.505 16.402 -5.518 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.979 14.898 -4.754 1.00 0.00 H new ATOM 0 HE ARG A 74 5.578 14.116 -5.430 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.632 16.336 -7.255 1.00 0.00 H new ATOM 0 HH12 ARG A 74 6.885 15.929 -8.804 1.00 0.00 H new ATOM 0 HH21 ARG A 74 4.621 13.610 -7.411 1.00 0.00 H new ATOM 0 HH22 ARG A 74 5.186 14.391 -8.892 1.00 0.00 H new ATOM 1218 N GLY A 75 9.342 17.720 -0.439 1.00 0.00 N ATOM 1219 CA GLY A 75 10.103 18.761 0.215 1.00 0.00 C ATOM 1220 C GLY A 75 11.475 18.280 0.639 1.00 0.00 C ATOM 1221 O GLY A 75 11.945 17.234 0.179 1.00 0.00 O ATOM 0 H GLY A 75 8.795 17.132 0.190 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.209 19.611 -0.460 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.557 19.115 1.089 1.00 0.00 H new ATOM 1225 N GLY A 76 12.113 19.032 1.519 1.00 0.00 N ATOM 1226 CA GLY A 76 13.429 18.672 1.993 1.00 0.00 C ATOM 1227 C GLY A 76 13.724 19.302 3.332 1.00 0.00 C ATOM 1228 O GLY A 76 14.557 18.757 4.084 1.00 0.00 O ATOM 1229 OXT GLY A 76 13.110 20.343 3.644 1.00 0.00 O ATOM 0 H GLY A 76 11.738 19.893 1.916 1.00 0.00 H new ATOM 0 HA2 GLY A 76 13.504 17.588 2.075 1.00 0.00 H new ATOM 0 HA3 GLY A 76 14.178 18.989 1.267 1.00 0.00 H new TER 1233 GLY A 76 ATOM 1234 N GLY B 536 37.857 -7.684 8.449 1.00 0.00 N ATOM 1235 CA GLY B 536 39.025 -6.791 8.277 1.00 0.00 C ATOM 1236 C GLY B 536 38.639 -5.481 7.631 1.00 0.00 C ATOM 1237 O GLY B 536 37.726 -4.797 8.100 1.00 0.00 O ATOM 0 HA2 GLY B 536 39.480 -6.597 9.248 1.00 0.00 H new ATOM 0 HA3 GLY B 536 39.777 -7.290 7.666 1.00 0.00 H new ATOM 1243 N SER B 537 39.326 -5.129 6.556 1.00 0.00 N ATOM 1244 CA SER B 537 39.042 -3.895 5.841 1.00 0.00 C ATOM 1245 C SER B 537 38.695 -4.186 4.380 1.00 0.00 C ATOM 1246 O SER B 537 39.556 -4.121 3.504 1.00 0.00 O ATOM 1247 CB SER B 537 40.246 -2.953 5.926 1.00 0.00 C ATOM 1248 OG SER B 537 40.837 -3.003 7.216 1.00 0.00 O ATOM 0 H SER B 537 40.086 -5.682 6.159 1.00 0.00 H new ATOM 0 HA SER B 537 38.182 -3.412 6.306 1.00 0.00 H new ATOM 0 HB2 SER B 537 40.983 -3.230 5.173 1.00 0.00 H new ATOM 0 HB3 SER B 537 39.931 -1.933 5.705 1.00 0.00 H new ATOM 0 HG SER B 537 41.605 -2.395 7.248 1.00 0.00 H new ATOM 1254 N PRO B 538 37.431 -4.542 4.102 1.00 0.00 N ATOM 1255 CA PRO B 538 36.977 -4.840 2.752 1.00 0.00 C ATOM 1256 C PRO B 538 36.463 -3.600 2.025 1.00 0.00 C ATOM 1257 O PRO B 538 36.259 -2.546 2.632 1.00 0.00 O ATOM 1258 CB PRO B 538 35.844 -5.832 3.000 1.00 0.00 C ATOM 1259 CG PRO B 538 35.263 -5.434 4.319 1.00 0.00 C ATOM 1260 CD PRO B 538 36.340 -4.692 5.080 1.00 0.00 C ATOM 0 HA PRO B 538 37.774 -5.221 2.114 1.00 0.00 H new ATOM 0 HB2 PRO B 538 35.096 -5.783 2.208 1.00 0.00 H new ATOM 0 HB3 PRO B 538 36.215 -6.857 3.025 1.00 0.00 H new ATOM 0 HG2 PRO B 538 34.387 -4.801 4.178 1.00 0.00 H new ATOM 0 HG3 PRO B 538 34.935 -6.312 4.875 1.00 0.00 H new ATOM 0 HD2 PRO B 538 35.984 -3.724 5.432 1.00 0.00 H new ATOM 0 HD3 PRO B 538 36.665 -5.251 5.958 1.00 0.00 H new ATOM 1268 N GLU B 539 36.257 -3.731 0.726 1.00 0.00 N ATOM 1269 CA GLU B 539 35.764 -2.627 -0.082 1.00 0.00 C ATOM 1270 C GLU B 539 34.245 -2.682 -0.168 1.00 0.00 C ATOM 1271 O GLU B 539 33.666 -3.712 -0.515 1.00 0.00 O ATOM 1272 CB GLU B 539 36.384 -2.665 -1.480 1.00 0.00 C ATOM 1273 CG GLU B 539 36.543 -4.069 -2.034 1.00 0.00 C ATOM 1274 CD GLU B 539 36.849 -4.079 -3.513 1.00 0.00 C ATOM 1275 OE1 GLU B 539 35.993 -3.639 -4.306 1.00 0.00 O ATOM 1276 OE2 GLU B 539 37.953 -4.523 -3.889 1.00 0.00 O ATOM 0 H GLU B 539 36.424 -4.593 0.206 1.00 0.00 H new ATOM 0 HA GLU B 539 36.054 -1.689 0.392 1.00 0.00 H new ATOM 0 HB2 GLU B 539 35.763 -2.083 -2.160 1.00 0.00 H new ATOM 0 HB3 GLU B 539 37.361 -2.183 -1.449 1.00 0.00 H new ATOM 0 HG2 GLU B 539 37.344 -4.579 -1.498 1.00 0.00 H new ATOM 0 HG3 GLU B 539 35.628 -4.633 -1.852 1.00 0.00 H new ATOM 1283 N PHE B 540 33.605 -1.569 0.151 1.00 0.00 N ATOM 1284 CA PHE B 540 32.151 -1.487 0.129 1.00 0.00 C ATOM 1285 C PHE B 540 31.619 -1.469 -1.299 1.00 0.00 C ATOM 1286 O PHE B 540 30.470 -1.831 -1.545 1.00 0.00 O ATOM 1287 CB PHE B 540 31.682 -0.240 0.877 1.00 0.00 C ATOM 1288 CG PHE B 540 32.109 -0.206 2.318 1.00 0.00 C ATOM 1289 CD1 PHE B 540 31.814 -1.261 3.168 1.00 0.00 C ATOM 1290 CD2 PHE B 540 32.806 0.879 2.822 1.00 0.00 C ATOM 1291 CE1 PHE B 540 32.204 -1.232 4.492 1.00 0.00 C ATOM 1292 CE2 PHE B 540 33.199 0.914 4.146 1.00 0.00 C ATOM 1293 CZ PHE B 540 32.898 -0.143 4.982 1.00 0.00 C ATOM 0 H PHE B 540 34.071 -0.705 0.430 1.00 0.00 H new ATOM 0 HA PHE B 540 31.758 -2.374 0.626 1.00 0.00 H new ATOM 0 HB2 PHE B 540 32.070 0.644 0.371 1.00 0.00 H new ATOM 0 HB3 PHE B 540 30.595 -0.184 0.828 1.00 0.00 H new ATOM 0 HD1 PHE B 540 31.273 -2.116 2.790 1.00 0.00 H new ATOM 0 HD2 PHE B 540 33.045 1.708 2.172 1.00 0.00 H new ATOM 0 HE1 PHE B 540 31.967 -2.060 5.144 1.00 0.00 H new ATOM 0 HE2 PHE B 540 33.741 1.767 4.527 1.00 0.00 H new ATOM 0 HZ PHE B 540 33.205 -0.118 6.017 1.00 0.00 H new ATOM 1303 N GLN B 541 32.468 -1.054 -2.232 1.00 0.00 N ATOM 1304 CA GLN B 541 32.100 -0.981 -3.643 1.00 0.00 C ATOM 1305 C GLN B 541 31.860 -2.374 -4.222 1.00 0.00 C ATOM 1306 O GLN B 541 31.067 -2.546 -5.153 1.00 0.00 O ATOM 1307 CB GLN B 541 33.207 -0.274 -4.427 1.00 0.00 C ATOM 1308 CG GLN B 541 33.011 -0.308 -5.931 1.00 0.00 C ATOM 1309 CD GLN B 541 34.289 -0.014 -6.682 1.00 0.00 C ATOM 1310 OE1 GLN B 541 35.073 -0.919 -6.969 1.00 0.00 O ATOM 1311 NE2 GLN B 541 34.515 1.247 -6.998 1.00 0.00 N ATOM 0 H GLN B 541 33.425 -0.760 -2.035 1.00 0.00 H new ATOM 0 HA GLN B 541 31.172 -0.415 -3.728 1.00 0.00 H new ATOM 0 HB2 GLN B 541 33.264 0.765 -4.101 1.00 0.00 H new ATOM 0 HB3 GLN B 541 34.164 -0.737 -4.184 1.00 0.00 H new ATOM 0 HG2 GLN B 541 32.637 -1.289 -6.224 1.00 0.00 H new ATOM 0 HG3 GLN B 541 32.251 0.420 -6.213 1.00 0.00 H new ATOM 0 HE21 GLN B 541 33.839 1.966 -6.741 1.00 0.00 H new ATOM 0 HE22 GLN B 541 35.366 1.503 -7.499 1.00 0.00 H new ATOM 1320 N ASN B 542 32.547 -3.357 -3.659 1.00 0.00 N ATOM 1321 CA ASN B 542 32.435 -4.739 -4.108 1.00 0.00 C ATOM 1322 C ASN B 542 31.015 -5.264 -3.893 1.00 0.00 C ATOM 1323 O ASN B 542 30.501 -5.240 -2.770 1.00 0.00 O ATOM 1324 CB ASN B 542 33.438 -5.611 -3.351 1.00 0.00 C ATOM 1325 CG ASN B 542 33.895 -6.821 -4.141 1.00 0.00 C ATOM 1326 OD1 ASN B 542 33.137 -7.402 -4.916 1.00 0.00 O ATOM 1327 ND2 ASN B 542 35.147 -7.209 -3.945 1.00 0.00 N ATOM 0 H ASN B 542 33.194 -3.222 -2.883 1.00 0.00 H new ATOM 0 HA ASN B 542 32.657 -4.778 -5.175 1.00 0.00 H new ATOM 0 HB2 ASN B 542 34.307 -5.008 -3.088 1.00 0.00 H new ATOM 0 HB3 ASN B 542 32.987 -5.945 -2.417 1.00 0.00 H new ATOM 0 HD21 ASN B 542 35.515 -8.018 -4.446 1.00 0.00 H new ATOM 0 HD22 ASN B 542 35.743 -6.699 -3.293 1.00 0.00 H new ATOM 1334 N PRO B 543 30.364 -5.748 -4.969 1.00 0.00 N ATOM 1335 CA PRO B 543 28.995 -6.276 -4.905 1.00 0.00 C ATOM 1336 C PRO B 543 28.864 -7.486 -3.984 1.00 0.00 C ATOM 1337 O PRO B 543 27.761 -7.871 -3.611 1.00 0.00 O ATOM 1338 CB PRO B 543 28.681 -6.667 -6.355 1.00 0.00 C ATOM 1339 CG PRO B 543 30.007 -6.796 -7.019 1.00 0.00 C ATOM 1340 CD PRO B 543 30.906 -5.806 -6.338 1.00 0.00 C ATOM 0 HA PRO B 543 28.307 -5.538 -4.492 1.00 0.00 H new ATOM 0 HB2 PRO B 543 28.126 -7.604 -6.399 1.00 0.00 H new ATOM 0 HB3 PRO B 543 28.068 -5.910 -6.843 1.00 0.00 H new ATOM 0 HG2 PRO B 543 30.396 -7.809 -6.920 1.00 0.00 H new ATOM 0 HG3 PRO B 543 29.932 -6.586 -8.086 1.00 0.00 H new ATOM 0 HD2 PRO B 543 31.946 -6.133 -6.346 1.00 0.00 H new ATOM 0 HD3 PRO B 543 30.875 -4.832 -6.825 1.00 0.00 H new ATOM 1348 N GLU B 544 29.987 -8.087 -3.615 1.00 0.00 N ATOM 1349 CA GLU B 544 29.963 -9.236 -2.723 1.00 0.00 C ATOM 1350 C GLU B 544 29.646 -8.785 -1.299 1.00 0.00 C ATOM 1351 O GLU B 544 28.993 -9.499 -0.539 1.00 0.00 O ATOM 1352 CB GLU B 544 31.300 -9.988 -2.760 1.00 0.00 C ATOM 1353 CG GLU B 544 32.473 -9.197 -2.201 1.00 0.00 C ATOM 1354 CD GLU B 544 33.697 -10.055 -1.951 1.00 0.00 C ATOM 1355 OE1 GLU B 544 33.668 -10.882 -1.016 1.00 0.00 O ATOM 1356 OE2 GLU B 544 34.703 -9.897 -2.675 1.00 0.00 O ATOM 0 H GLU B 544 30.918 -7.801 -3.917 1.00 0.00 H new ATOM 0 HA GLU B 544 29.183 -9.918 -3.062 1.00 0.00 H new ATOM 0 HB2 GLU B 544 31.199 -10.915 -2.196 1.00 0.00 H new ATOM 0 HB3 GLU B 544 31.521 -10.265 -3.791 1.00 0.00 H new ATOM 0 HG2 GLU B 544 32.731 -8.399 -2.897 1.00 0.00 H new ATOM 0 HG3 GLU B 544 32.172 -8.721 -1.268 1.00 0.00 H new ATOM 1363 N VAL B 545 30.076 -7.572 -0.962 1.00 0.00 N ATOM 1364 CA VAL B 545 29.862 -7.024 0.370 1.00 0.00 C ATOM 1365 C VAL B 545 28.522 -6.301 0.464 1.00 0.00 C ATOM 1366 O VAL B 545 27.730 -6.570 1.367 1.00 0.00 O ATOM 1367 CB VAL B 545 30.994 -6.052 0.768 1.00 0.00 C ATOM 1368 CG1 VAL B 545 30.809 -5.551 2.192 1.00 0.00 C ATOM 1369 CG2 VAL B 545 32.351 -6.718 0.613 1.00 0.00 C ATOM 0 H VAL B 545 30.576 -6.950 -1.597 1.00 0.00 H new ATOM 0 HA VAL B 545 29.860 -7.867 1.061 1.00 0.00 H new ATOM 0 HB VAL B 545 30.949 -5.194 0.098 1.00 0.00 H new ATOM 0 HG11 VAL B 545 31.620 -4.868 2.446 1.00 0.00 H new ATOM 0 HG12 VAL B 545 29.856 -5.028 2.273 1.00 0.00 H new ATOM 0 HG13 VAL B 545 30.818 -6.397 2.879 1.00 0.00 H new ATOM 0 HG21 VAL B 545 33.135 -6.017 0.898 1.00 0.00 H new ATOM 0 HG22 VAL B 545 32.400 -7.598 1.255 1.00 0.00 H new ATOM 0 HG23 VAL B 545 32.493 -7.018 -0.425 1.00 0.00 H new ATOM 1379 N ARG B 546 28.276 -5.382 -0.473 1.00 0.00 N ATOM 1380 CA ARG B 546 27.030 -4.607 -0.493 1.00 0.00 C ATOM 1381 C ARG B 546 26.859 -3.824 0.810 1.00 0.00 C ATOM 1382 O ARG B 546 25.747 -3.707 1.329 1.00 0.00 O ATOM 1383 CB ARG B 546 25.819 -5.526 -0.701 1.00 0.00 C ATOM 1384 CG ARG B 546 25.701 -6.094 -2.105 1.00 0.00 C ATOM 1385 CD ARG B 546 25.073 -7.480 -2.089 1.00 0.00 C ATOM 1386 NE ARG B 546 25.920 -8.456 -1.401 1.00 0.00 N ATOM 1387 CZ ARG B 546 25.466 -9.555 -0.799 1.00 0.00 C ATOM 1388 NH1 ARG B 546 24.175 -9.861 -0.845 1.00 0.00 N ATOM 1389 NH2 ARG B 546 26.312 -10.360 -0.168 1.00 0.00 N ATOM 0 H ARG B 546 28.923 -5.155 -1.229 1.00 0.00 H new ATOM 0 HA ARG B 546 27.089 -3.906 -1.325 1.00 0.00 H new ATOM 0 HB2 ARG B 546 25.877 -6.351 0.009 1.00 0.00 H new ATOM 0 HB3 ARG B 546 24.911 -4.970 -0.469 1.00 0.00 H new ATOM 0 HG2 ARG B 546 25.098 -5.426 -2.720 1.00 0.00 H new ATOM 0 HG3 ARG B 546 26.689 -6.145 -2.563 1.00 0.00 H new ATOM 0 HD2 ARG B 546 24.101 -7.432 -1.597 1.00 0.00 H new ATOM 0 HD3 ARG B 546 24.897 -7.810 -3.113 1.00 0.00 H new ATOM 0 HE ARG B 546 26.925 -8.283 -1.381 1.00 0.00 H new ATOM 0 HH11 ARG B 546 23.524 -9.254 -1.343 1.00 0.00 H new ATOM 0 HH12 ARG B 546 23.834 -10.704 -0.382 1.00 0.00 H new ATOM 0 HH21 ARG B 546 27.307 -10.137 -0.145 1.00 0.00 H new ATOM 0 HH22 ARG B 546 25.967 -11.202 0.294 1.00 0.00 H new ATOM 1403 N PHE B 547 27.978 -3.316 1.338 1.00 0.00 N ATOM 1404 CA PHE B 547 28.008 -2.543 2.591 1.00 0.00 C ATOM 1405 C PHE B 547 27.846 -3.444 3.820 1.00 0.00 C ATOM 1406 O PHE B 547 28.260 -3.073 4.919 1.00 0.00 O ATOM 1407 CB PHE B 547 26.941 -1.441 2.604 1.00 0.00 C ATOM 1408 CG PHE B 547 27.445 -0.101 2.155 1.00 0.00 C ATOM 1409 CD1 PHE B 547 28.566 0.461 2.741 1.00 0.00 C ATOM 1410 CD2 PHE B 547 26.800 0.595 1.149 1.00 0.00 C ATOM 1411 CE1 PHE B 547 29.031 1.696 2.335 1.00 0.00 C ATOM 1412 CE2 PHE B 547 27.260 1.832 0.739 1.00 0.00 C ATOM 1413 CZ PHE B 547 28.379 2.380 1.331 1.00 0.00 C ATOM 0 H PHE B 547 28.896 -3.429 0.907 1.00 0.00 H new ATOM 0 HA PHE B 547 28.990 -2.072 2.639 1.00 0.00 H new ATOM 0 HB2 PHE B 547 26.114 -1.742 1.960 1.00 0.00 H new ATOM 0 HB3 PHE B 547 26.541 -1.348 3.614 1.00 0.00 H new ATOM 0 HD1 PHE B 547 29.083 -0.073 3.525 1.00 0.00 H new ATOM 0 HD2 PHE B 547 25.927 0.167 0.679 1.00 0.00 H new ATOM 0 HE1 PHE B 547 29.904 2.126 2.803 1.00 0.00 H new ATOM 0 HE2 PHE B 547 26.744 2.369 -0.044 1.00 0.00 H new ATOM 0 HZ PHE B 547 28.744 3.344 1.008 1.00 0.00 H new ATOM 1423 N GLN B 548 27.226 -4.609 3.621 1.00 0.00 N ATOM 1424 CA GLN B 548 26.994 -5.607 4.675 1.00 0.00 C ATOM 1425 C GLN B 548 25.985 -5.145 5.731 1.00 0.00 C ATOM 1426 O GLN B 548 25.023 -5.854 6.020 1.00 0.00 O ATOM 1427 CB GLN B 548 28.306 -6.030 5.344 1.00 0.00 C ATOM 1428 CG GLN B 548 28.873 -7.328 4.788 1.00 0.00 C ATOM 1429 CD GLN B 548 30.117 -7.799 5.522 1.00 0.00 C ATOM 1430 OE1 GLN B 548 30.194 -7.515 6.815 1.00 0.00 O flip ATOM 1431 NE2 GLN B 548 31.004 -8.417 4.928 1.00 0.00 N flip ATOM 0 H GLN B 548 26.864 -4.893 2.710 1.00 0.00 H new ATOM 0 HA GLN B 548 26.558 -6.471 4.173 1.00 0.00 H new ATOM 0 HB2 GLN B 548 29.042 -5.236 5.218 1.00 0.00 H new ATOM 0 HB3 GLN B 548 28.140 -6.144 6.415 1.00 0.00 H new ATOM 0 HG2 GLN B 548 28.110 -8.104 4.844 1.00 0.00 H new ATOM 0 HG3 GLN B 548 29.111 -7.191 3.733 1.00 0.00 H new ATOM 0 HE21 GLN B 548 30.908 -8.616 3.932 1.00 0.00 H new ATOM 0 HE22 GLN B 548 31.834 -8.729 5.433 1.00 0.00 H new ATOM 1440 N GLN B 549 26.178 -3.960 6.293 1.00 0.00 N ATOM 1441 CA GLN B 549 25.272 -3.465 7.320 1.00 0.00 C ATOM 1442 C GLN B 549 24.123 -2.683 6.699 1.00 0.00 C ATOM 1443 O GLN B 549 22.970 -2.851 7.082 1.00 0.00 O ATOM 1444 CB GLN B 549 26.015 -2.597 8.339 1.00 0.00 C ATOM 1445 CG GLN B 549 27.124 -3.332 9.080 1.00 0.00 C ATOM 1446 CD GLN B 549 26.693 -4.685 9.631 1.00 0.00 C ATOM 1447 OE1 GLN B 549 25.443 -4.799 10.054 1.00 0.00 O flip ATOM 1448 NE2 GLN B 549 27.491 -5.622 9.687 1.00 0.00 N flip ATOM 0 H GLN B 549 26.945 -3.329 6.059 1.00 0.00 H new ATOM 0 HA GLN B 549 24.861 -4.329 7.842 1.00 0.00 H new ATOM 0 HB2 GLN B 549 26.443 -1.736 7.826 1.00 0.00 H new ATOM 0 HB3 GLN B 549 25.299 -2.212 9.065 1.00 0.00 H new ATOM 0 HG2 GLN B 549 27.968 -3.475 8.405 1.00 0.00 H new ATOM 0 HG3 GLN B 549 27.476 -2.709 9.902 1.00 0.00 H new ATOM 0 HE21 GLN B 549 28.447 -5.499 9.352 1.00 0.00 H new ATOM 0 HE22 GLN B 549 27.196 -6.521 10.068 1.00 0.00 H new ATOM 1457 N GLN B 550 24.439 -1.835 5.732 1.00 0.00 N ATOM 1458 CA GLN B 550 23.418 -1.040 5.058 1.00 0.00 C ATOM 1459 C GLN B 550 22.445 -1.947 4.308 1.00 0.00 C ATOM 1460 O GLN B 550 21.252 -1.654 4.209 1.00 0.00 O ATOM 1461 CB GLN B 550 24.069 -0.034 4.108 1.00 0.00 C ATOM 1462 CG GLN B 550 25.080 0.868 4.798 1.00 0.00 C ATOM 1463 CD GLN B 550 24.437 1.781 5.823 1.00 0.00 C ATOM 1464 OE1 GLN B 550 24.088 1.351 6.922 1.00 0.00 O ATOM 1465 NE2 GLN B 550 24.300 3.050 5.485 1.00 0.00 N ATOM 0 H GLN B 550 25.389 -1.678 5.396 1.00 0.00 H new ATOM 0 HA GLN B 550 22.855 -0.485 5.808 1.00 0.00 H new ATOM 0 HB2 GLN B 550 24.564 -0.573 3.300 1.00 0.00 H new ATOM 0 HB3 GLN B 550 23.293 0.581 3.652 1.00 0.00 H new ATOM 0 HG2 GLN B 550 25.836 0.254 5.287 1.00 0.00 H new ATOM 0 HG3 GLN B 550 25.594 1.472 4.050 1.00 0.00 H new ATOM 0 HE21 GLN B 550 24.602 3.368 4.564 1.00 0.00 H new ATOM 0 HE22 GLN B 550 23.893 3.712 6.145 1.00 0.00 H new ATOM 1474 N LEU B 551 22.956 -3.071 3.814 1.00 0.00 N ATOM 1475 CA LEU B 551 22.136 -4.036 3.089 1.00 0.00 C ATOM 1476 C LEU B 551 21.194 -4.763 4.046 1.00 0.00 C ATOM 1477 O LEU B 551 20.177 -5.322 3.629 1.00 0.00 O ATOM 1478 CB LEU B 551 23.015 -5.052 2.359 1.00 0.00 C ATOM 1479 CG LEU B 551 22.257 -6.039 1.466 1.00 0.00 C ATOM 1480 CD1 LEU B 551 21.887 -5.394 0.138 1.00 0.00 C ATOM 1481 CD2 LEU B 551 23.080 -7.298 1.244 1.00 0.00 C ATOM 0 H LEU B 551 23.937 -3.336 3.903 1.00 0.00 H new ATOM 0 HA LEU B 551 21.544 -3.491 2.354 1.00 0.00 H new ATOM 0 HB2 LEU B 551 23.737 -4.512 1.747 1.00 0.00 H new ATOM 0 HB3 LEU B 551 23.583 -5.616 3.099 1.00 0.00 H new ATOM 0 HG LEU B 551 21.334 -6.319 1.973 1.00 0.00 H new ATOM 0 HD11 LEU B 551 21.350 -6.114 -0.479 1.00 0.00 H new ATOM 0 HD12 LEU B 551 21.252 -4.526 0.319 1.00 0.00 H new ATOM 0 HD13 LEU B 551 22.794 -5.079 -0.379 1.00 0.00 H new ATOM 0 HD21 LEU B 551 22.526 -7.988 0.607 1.00 0.00 H new ATOM 0 HD22 LEU B 551 24.022 -7.037 0.762 1.00 0.00 H new ATOM 0 HD23 LEU B 551 23.283 -7.774 2.203 1.00 0.00 H new ATOM 1493 N GLU B 552 21.518 -4.722 5.334 1.00 0.00 N ATOM 1494 CA GLU B 552 20.709 -5.382 6.347 1.00 0.00 C ATOM 1495 C GLU B 552 19.405 -4.619 6.535 1.00 0.00 C ATOM 1496 O GLU B 552 18.355 -5.207 6.793 1.00 0.00 O ATOM 1497 CB GLU B 552 21.474 -5.458 7.671 1.00 0.00 C ATOM 1498 CG GLU B 552 20.846 -6.392 8.690 1.00 0.00 C ATOM 1499 CD GLU B 552 20.940 -7.844 8.276 1.00 0.00 C ATOM 1500 OE1 GLU B 552 20.021 -8.335 7.588 1.00 0.00 O ATOM 1501 OE2 GLU B 552 21.937 -8.502 8.637 1.00 0.00 O ATOM 0 H GLU B 552 22.337 -4.237 5.700 1.00 0.00 H new ATOM 0 HA GLU B 552 20.485 -6.397 6.020 1.00 0.00 H new ATOM 0 HB2 GLU B 552 22.494 -5.786 7.472 1.00 0.00 H new ATOM 0 HB3 GLU B 552 21.539 -4.458 8.100 1.00 0.00 H new ATOM 0 HG2 GLU B 552 21.339 -6.259 9.653 1.00 0.00 H new ATOM 0 HG3 GLU B 552 19.799 -6.123 8.828 1.00 0.00 H new ATOM 1508 N GLN B 553 19.477 -3.305 6.374 1.00 0.00 N ATOM 1509 CA GLN B 553 18.307 -2.455 6.517 1.00 0.00 C ATOM 1510 C GLN B 553 17.487 -2.484 5.235 1.00 0.00 C ATOM 1511 O GLN B 553 16.259 -2.498 5.269 1.00 0.00 O ATOM 1512 CB GLN B 553 18.718 -1.015 6.837 1.00 0.00 C ATOM 1513 CG GLN B 553 19.080 -0.779 8.298 1.00 0.00 C ATOM 1514 CD GLN B 553 20.439 -1.345 8.666 1.00 0.00 C ATOM 1515 OE1 GLN B 553 20.555 -2.507 9.053 1.00 0.00 O ATOM 1516 NE2 GLN B 553 21.476 -0.528 8.564 1.00 0.00 N ATOM 0 H GLN B 553 20.336 -2.805 6.144 1.00 0.00 H new ATOM 0 HA GLN B 553 17.704 -2.834 7.342 1.00 0.00 H new ATOM 0 HB2 GLN B 553 19.572 -0.746 6.215 1.00 0.00 H new ATOM 0 HB3 GLN B 553 17.901 -0.347 6.564 1.00 0.00 H new ATOM 0 HG2 GLN B 553 19.070 0.292 8.502 1.00 0.00 H new ATOM 0 HG3 GLN B 553 18.319 -1.231 8.934 1.00 0.00 H new ATOM 0 HE21 GLN B 553 21.341 0.429 8.239 1.00 0.00 H new ATOM 0 HE22 GLN B 553 22.410 -0.856 8.810 1.00 0.00 H new ATOM 1525 N LEU B 554 18.186 -2.505 4.104 1.00 0.00 N ATOM 1526 CA LEU B 554 17.546 -2.538 2.793 1.00 0.00 C ATOM 1527 C LEU B 554 16.706 -3.802 2.622 1.00 0.00 C ATOM 1528 O LEU B 554 15.594 -3.756 2.098 1.00 0.00 O ATOM 1529 CB LEU B 554 18.608 -2.467 1.693 1.00 0.00 C ATOM 1530 CG LEU B 554 19.360 -1.138 1.593 1.00 0.00 C ATOM 1531 CD1 LEU B 554 20.713 -1.342 0.928 1.00 0.00 C ATOM 1532 CD2 LEU B 554 18.536 -0.118 0.823 1.00 0.00 C ATOM 0 H LEU B 554 19.205 -2.500 4.070 1.00 0.00 H new ATOM 0 HA LEU B 554 16.884 -1.676 2.716 1.00 0.00 H new ATOM 0 HB2 LEU B 554 19.333 -3.264 1.859 1.00 0.00 H new ATOM 0 HB3 LEU B 554 18.129 -2.667 0.735 1.00 0.00 H new ATOM 0 HG LEU B 554 19.525 -0.757 2.601 1.00 0.00 H new ATOM 0 HD11 LEU B 554 21.235 -0.387 0.865 1.00 0.00 H new ATOM 0 HD12 LEU B 554 21.306 -2.041 1.517 1.00 0.00 H new ATOM 0 HD13 LEU B 554 20.569 -1.744 -0.075 1.00 0.00 H new ATOM 0 HD21 LEU B 554 19.085 0.821 0.761 1.00 0.00 H new ATOM 0 HD22 LEU B 554 18.342 -0.492 -0.182 1.00 0.00 H new ATOM 0 HD23 LEU B 554 17.590 0.048 1.338 1.00 0.00 H new ATOM 1544 N SER B 555 17.233 -4.925 3.085 1.00 0.00 N ATOM 1545 CA SER B 555 16.531 -6.195 2.973 1.00 0.00 C ATOM 1546 C SER B 555 15.427 -6.302 4.021 1.00 0.00 C ATOM 1547 O SER B 555 14.452 -7.030 3.837 1.00 0.00 O ATOM 1548 CB SER B 555 17.516 -7.350 3.123 1.00 0.00 C ATOM 1549 OG SER B 555 18.651 -7.151 2.297 1.00 0.00 O ATOM 0 H SER B 555 18.143 -4.983 3.541 1.00 0.00 H new ATOM 0 HA SER B 555 16.068 -6.247 1.987 1.00 0.00 H new ATOM 0 HB2 SER B 555 17.828 -7.436 4.164 1.00 0.00 H new ATOM 0 HB3 SER B 555 17.027 -8.288 2.859 1.00 0.00 H new ATOM 0 HG SER B 555 19.250 -6.498 2.716 1.00 0.00 H new ATOM 1555 N ALA B 556 15.566 -5.545 5.105 1.00 0.00 N ATOM 1556 CA ALA B 556 14.586 -5.562 6.181 1.00 0.00 C ATOM 1557 C ALA B 556 13.370 -4.711 5.831 1.00 0.00 C ATOM 1558 O ALA B 556 12.362 -4.734 6.533 1.00 0.00 O ATOM 1559 CB ALA B 556 15.217 -5.070 7.476 1.00 0.00 C ATOM 0 H ALA B 556 16.350 -4.911 5.260 1.00 0.00 H new ATOM 0 HA ALA B 556 14.252 -6.590 6.317 1.00 0.00 H new ATOM 0 HB1 ALA B 556 14.473 -5.088 8.273 1.00 0.00 H new ATOM 0 HB2 ALA B 556 16.051 -5.719 7.744 1.00 0.00 H new ATOM 0 HB3 ALA B 556 15.579 -4.051 7.340 1.00 0.00 H new ATOM 1565 N MET B 557 13.469 -3.954 4.747 1.00 0.00 N ATOM 1566 CA MET B 557 12.369 -3.104 4.317 1.00 0.00 C ATOM 1567 C MET B 557 11.670 -3.696 3.100 1.00 0.00 C ATOM 1568 O MET B 557 10.849 -3.039 2.462 1.00 0.00 O ATOM 1569 CB MET B 557 12.862 -1.688 4.017 1.00 0.00 C ATOM 1570 CG MET B 557 12.807 -0.762 5.222 1.00 0.00 C ATOM 1571 SD MET B 557 11.175 -0.726 5.993 1.00 0.00 S ATOM 1572 CE MET B 557 11.473 0.385 7.366 1.00 0.00 C ATOM 0 H MET B 557 14.296 -3.911 4.152 1.00 0.00 H new ATOM 0 HA MET B 557 11.647 -3.050 5.132 1.00 0.00 H new ATOM 0 HB2 MET B 557 13.888 -1.738 3.653 1.00 0.00 H new ATOM 0 HB3 MET B 557 12.259 -1.264 3.214 1.00 0.00 H new ATOM 0 HG2 MET B 557 13.545 -1.083 5.957 1.00 0.00 H new ATOM 0 HG3 MET B 557 13.082 0.247 4.914 1.00 0.00 H new ATOM 0 HE1 MET B 557 10.530 0.829 7.686 1.00 0.00 H new ATOM 0 HE2 MET B 557 11.912 -0.170 8.195 1.00 0.00 H new ATOM 0 HE3 MET B 557 12.158 1.173 7.054 1.00 0.00 H new ATOM 1582 N GLY B 558 11.994 -4.945 2.794 1.00 0.00 N ATOM 1583 CA GLY B 558 11.378 -5.618 1.669 1.00 0.00 C ATOM 1584 C GLY B 558 11.903 -5.141 0.330 1.00 0.00 C ATOM 1585 O GLY B 558 11.230 -4.389 -0.373 1.00 0.00 O ATOM 0 H GLY B 558 12.675 -5.505 3.307 1.00 0.00 H new ATOM 0 HA2 GLY B 558 11.548 -6.691 1.758 1.00 0.00 H new ATOM 0 HA3 GLY B 558 10.300 -5.462 1.706 1.00 0.00 H new ATOM 1589 N PHE B 559 13.106 -5.575 -0.019 1.00 0.00 N ATOM 1590 CA PHE B 559 13.718 -5.207 -1.289 1.00 0.00 C ATOM 1591 C PHE B 559 14.597 -6.345 -1.794 1.00 0.00 C ATOM 1592 O PHE B 559 15.558 -6.741 -1.130 1.00 0.00 O ATOM 1593 CB PHE B 559 14.536 -3.923 -1.151 1.00 0.00 C ATOM 1594 CG PHE B 559 14.160 -2.870 -2.157 1.00 0.00 C ATOM 1595 CD1 PHE B 559 14.724 -2.870 -3.423 1.00 0.00 C ATOM 1596 CD2 PHE B 559 13.234 -1.888 -1.840 1.00 0.00 C ATOM 1597 CE1 PHE B 559 14.377 -1.907 -4.352 1.00 0.00 C ATOM 1598 CE2 PHE B 559 12.883 -0.922 -2.765 1.00 0.00 C ATOM 1599 CZ PHE B 559 13.454 -0.933 -4.023 1.00 0.00 C ATOM 0 H PHE B 559 13.680 -6.185 0.562 1.00 0.00 H new ATOM 0 HA PHE B 559 12.924 -5.024 -2.013 1.00 0.00 H new ATOM 0 HB2 PHE B 559 14.402 -3.521 -0.147 1.00 0.00 H new ATOM 0 HB3 PHE B 559 15.594 -4.160 -1.261 1.00 0.00 H new ATOM 0 HD1 PHE B 559 15.443 -3.631 -3.687 1.00 0.00 H new ATOM 0 HD2 PHE B 559 12.782 -1.877 -0.859 1.00 0.00 H new ATOM 0 HE1 PHE B 559 14.827 -1.916 -5.334 1.00 0.00 H new ATOM 0 HE2 PHE B 559 12.163 -0.160 -2.504 1.00 0.00 H new ATOM 0 HZ PHE B 559 13.179 -0.181 -4.748 1.00 0.00 H new ATOM 1609 N LEU B 560 14.265 -6.871 -2.966 1.00 0.00 N ATOM 1610 CA LEU B 560 15.009 -7.983 -3.548 1.00 0.00 C ATOM 1611 C LEU B 560 16.236 -7.512 -4.323 1.00 0.00 C ATOM 1612 O LEU B 560 17.087 -8.321 -4.694 1.00 0.00 O ATOM 1613 CB LEU B 560 14.102 -8.801 -4.468 1.00 0.00 C ATOM 1614 CG LEU B 560 13.189 -9.800 -3.758 1.00 0.00 C ATOM 1615 CD1 LEU B 560 12.199 -10.410 -4.736 1.00 0.00 C ATOM 1616 CD2 LEU B 560 14.012 -10.889 -3.088 1.00 0.00 C ATOM 0 H LEU B 560 13.483 -6.545 -3.534 1.00 0.00 H new ATOM 0 HA LEU B 560 15.356 -8.605 -2.723 1.00 0.00 H new ATOM 0 HB2 LEU B 560 13.483 -8.115 -5.046 1.00 0.00 H new ATOM 0 HB3 LEU B 560 14.726 -9.344 -5.178 1.00 0.00 H new ATOM 0 HG LEU B 560 12.629 -9.266 -2.990 1.00 0.00 H new ATOM 0 HD11 LEU B 560 11.558 -11.118 -4.211 1.00 0.00 H new ATOM 0 HD12 LEU B 560 11.586 -9.621 -5.173 1.00 0.00 H new ATOM 0 HD13 LEU B 560 12.741 -10.928 -5.527 1.00 0.00 H new ATOM 0 HD21 LEU B 560 13.346 -11.592 -2.587 1.00 0.00 H new ATOM 0 HD22 LEU B 560 14.598 -11.417 -3.840 1.00 0.00 H new ATOM 0 HD23 LEU B 560 14.683 -10.440 -2.356 1.00 0.00 H new ATOM 1628 N ASN B 561 16.337 -6.210 -4.553 1.00 0.00 N ATOM 1629 CA ASN B 561 17.469 -5.658 -5.292 1.00 0.00 C ATOM 1630 C ASN B 561 18.713 -5.652 -4.409 1.00 0.00 C ATOM 1631 O ASN B 561 18.611 -5.533 -3.184 1.00 0.00 O ATOM 1632 CB ASN B 561 17.150 -4.247 -5.791 1.00 0.00 C ATOM 1633 CG ASN B 561 17.760 -3.962 -7.148 1.00 0.00 C ATOM 1634 OD1 ASN B 561 18.870 -4.399 -7.454 1.00 0.00 O ATOM 1635 ND2 ASN B 561 17.030 -3.232 -7.977 1.00 0.00 N ATOM 0 H ASN B 561 15.655 -5.519 -4.242 1.00 0.00 H new ATOM 0 HA ASN B 561 17.662 -6.286 -6.162 1.00 0.00 H new ATOM 0 HB2 ASN B 561 16.069 -4.121 -5.848 1.00 0.00 H new ATOM 0 HB3 ASN B 561 17.519 -3.518 -5.070 1.00 0.00 H new ATOM 0 HD21 ASN B 561 17.383 -3.012 -8.909 1.00 0.00 H new ATOM 0 HD22 ASN B 561 16.115 -2.889 -7.684 1.00 0.00 H new ATOM 1642 N ARG B 562 19.884 -5.806 -5.020 1.00 0.00 N ATOM 1643 CA ARG B 562 21.138 -5.847 -4.270 1.00 0.00 C ATOM 1644 C ARG B 562 22.141 -4.814 -4.788 1.00 0.00 C ATOM 1645 O ARG B 562 22.526 -3.892 -4.067 1.00 0.00 O ATOM 1646 CB ARG B 562 21.770 -7.246 -4.356 1.00 0.00 C ATOM 1647 CG ARG B 562 20.769 -8.396 -4.377 1.00 0.00 C ATOM 1648 CD ARG B 562 20.442 -8.892 -2.976 1.00 0.00 C ATOM 1649 NE ARG B 562 19.578 -7.964 -2.252 1.00 0.00 N ATOM 1650 CZ ARG B 562 19.304 -8.052 -0.954 1.00 0.00 C ATOM 1651 NH1 ARG B 562 19.817 -9.035 -0.219 1.00 0.00 N ATOM 1652 NH2 ARG B 562 18.506 -7.157 -0.391 1.00 0.00 N ATOM 0 H ARG B 562 19.992 -5.904 -6.029 1.00 0.00 H new ATOM 0 HA ARG B 562 20.900 -5.611 -3.233 1.00 0.00 H new ATOM 0 HB2 ARG B 562 22.382 -7.299 -5.256 1.00 0.00 H new ATOM 0 HB3 ARG B 562 22.440 -7.380 -3.507 1.00 0.00 H new ATOM 0 HG2 ARG B 562 19.853 -8.070 -4.869 1.00 0.00 H new ATOM 0 HG3 ARG B 562 21.173 -9.218 -4.968 1.00 0.00 H new ATOM 0 HD2 ARG B 562 19.954 -9.865 -3.041 1.00 0.00 H new ATOM 0 HD3 ARG B 562 21.367 -9.036 -2.418 1.00 0.00 H new ATOM 0 HE ARG B 562 19.157 -7.197 -2.777 1.00 0.00 H new ATOM 0 HH11 ARG B 562 20.427 -9.730 -0.651 1.00 0.00 H new ATOM 0 HH12 ARG B 562 19.601 -9.094 0.776 1.00 0.00 H new ATOM 0 HH21 ARG B 562 18.106 -6.406 -0.953 1.00 0.00 H new ATOM 0 HH22 ARG B 562 18.292 -7.219 0.604 1.00 0.00 H new ATOM 1666 N GLU B 563 22.546 -4.973 -6.042 1.00 0.00 N ATOM 1667 CA GLU B 563 23.528 -4.090 -6.667 1.00 0.00 C ATOM 1668 C GLU B 563 23.034 -2.647 -6.720 1.00 0.00 C ATOM 1669 O GLU B 563 23.737 -1.729 -6.295 1.00 0.00 O ATOM 1670 CB GLU B 563 23.866 -4.583 -8.078 1.00 0.00 C ATOM 1671 CG GLU B 563 24.902 -5.700 -8.113 1.00 0.00 C ATOM 1672 CD GLU B 563 24.399 -6.995 -7.507 1.00 0.00 C ATOM 1673 OE1 GLU B 563 24.507 -7.161 -6.276 1.00 0.00 O ATOM 1674 OE2 GLU B 563 23.896 -7.856 -8.261 1.00 0.00 O ATOM 0 H GLU B 563 22.206 -5.714 -6.654 1.00 0.00 H new ATOM 0 HA GLU B 563 24.429 -4.113 -6.054 1.00 0.00 H new ATOM 0 HB2 GLU B 563 22.952 -4.934 -8.558 1.00 0.00 H new ATOM 0 HB3 GLU B 563 24.233 -3.743 -8.667 1.00 0.00 H new ATOM 0 HG2 GLU B 563 25.199 -5.880 -9.146 1.00 0.00 H new ATOM 0 HG3 GLU B 563 25.794 -5.377 -7.577 1.00 0.00 H new ATOM 1681 N ALA B 564 21.845 -2.453 -7.274 1.00 0.00 N ATOM 1682 CA ALA B 564 21.249 -1.121 -7.372 1.00 0.00 C ATOM 1683 C ALA B 564 21.196 -0.432 -6.010 1.00 0.00 C ATOM 1684 O ALA B 564 21.422 0.774 -5.903 1.00 0.00 O ATOM 1685 CB ALA B 564 19.858 -1.203 -7.974 1.00 0.00 C ATOM 0 H ALA B 564 21.271 -3.200 -7.664 1.00 0.00 H new ATOM 0 HA ALA B 564 21.882 -0.523 -8.027 1.00 0.00 H new ATOM 0 HB1 ALA B 564 19.430 -0.203 -8.039 1.00 0.00 H new ATOM 0 HB2 ALA B 564 19.918 -1.638 -8.972 1.00 0.00 H new ATOM 0 HB3 ALA B 564 19.225 -1.828 -7.344 1.00 0.00 H new ATOM 1691 N ASN B 565 20.925 -1.213 -4.971 1.00 0.00 N ATOM 1692 CA ASN B 565 20.840 -0.689 -3.611 1.00 0.00 C ATOM 1693 C ASN B 565 22.183 -0.128 -3.161 1.00 0.00 C ATOM 1694 O ASN B 565 22.242 0.885 -2.464 1.00 0.00 O ATOM 1695 CB ASN B 565 20.382 -1.780 -2.640 1.00 0.00 C ATOM 1696 CG ASN B 565 18.942 -2.200 -2.860 1.00 0.00 C ATOM 1697 OD1 ASN B 565 18.444 -2.195 -3.982 1.00 0.00 O ATOM 1698 ND2 ASN B 565 18.261 -2.568 -1.788 1.00 0.00 N ATOM 0 H ASN B 565 20.759 -2.217 -5.044 1.00 0.00 H new ATOM 0 HA ASN B 565 20.106 0.117 -3.609 1.00 0.00 H new ATOM 0 HB2 ASN B 565 21.029 -2.650 -2.748 1.00 0.00 H new ATOM 0 HB3 ASN B 565 20.498 -1.421 -1.617 1.00 0.00 H new ATOM 0 HD21 ASN B 565 17.288 -2.861 -1.878 1.00 0.00 H new ATOM 0 HD22 ASN B 565 18.709 -2.559 -0.872 1.00 0.00 H new ATOM 1705 N LEU B 566 23.261 -0.783 -3.580 1.00 0.00 N ATOM 1706 CA LEU B 566 24.608 -0.352 -3.227 1.00 0.00 C ATOM 1707 C LEU B 566 24.904 1.018 -3.836 1.00 0.00 C ATOM 1708 O LEU B 566 25.585 1.844 -3.233 1.00 0.00 O ATOM 1709 CB LEU B 566 25.629 -1.386 -3.714 1.00 0.00 C ATOM 1710 CG LEU B 566 27.088 -1.105 -3.346 1.00 0.00 C ATOM 1711 CD1 LEU B 566 27.253 -1.018 -1.838 1.00 0.00 C ATOM 1712 CD2 LEU B 566 27.992 -2.187 -3.915 1.00 0.00 C ATOM 0 H LEU B 566 23.227 -1.617 -4.166 1.00 0.00 H new ATOM 0 HA LEU B 566 24.681 -0.268 -2.143 1.00 0.00 H new ATOM 0 HB2 LEU B 566 25.353 -2.360 -3.310 1.00 0.00 H new ATOM 0 HB3 LEU B 566 25.555 -1.459 -4.799 1.00 0.00 H new ATOM 0 HG LEU B 566 27.374 -0.146 -3.778 1.00 0.00 H new ATOM 0 HD11 LEU B 566 28.297 -0.818 -1.597 1.00 0.00 H new ATOM 0 HD12 LEU B 566 26.630 -0.212 -1.450 1.00 0.00 H new ATOM 0 HD13 LEU B 566 26.950 -1.962 -1.384 1.00 0.00 H new ATOM 0 HD21 LEU B 566 29.027 -1.975 -3.646 1.00 0.00 H new ATOM 0 HD22 LEU B 566 27.702 -3.155 -3.507 1.00 0.00 H new ATOM 0 HD23 LEU B 566 27.896 -2.207 -5.001 1.00 0.00 H new ATOM 1724 N GLN B 567 24.363 1.257 -5.023 1.00 0.00 N ATOM 1725 CA GLN B 567 24.557 2.524 -5.720 1.00 0.00 C ATOM 1726 C GLN B 567 23.721 3.613 -5.057 1.00 0.00 C ATOM 1727 O GLN B 567 24.203 4.717 -4.797 1.00 0.00 O ATOM 1728 CB GLN B 567 24.167 2.375 -7.192 1.00 0.00 C ATOM 1729 CG GLN B 567 24.176 3.680 -7.968 1.00 0.00 C ATOM 1730 CD GLN B 567 23.594 3.529 -9.359 1.00 0.00 C ATOM 1731 OE1 GLN B 567 23.729 2.345 -9.939 1.00 0.00 O flip ATOM 1732 NE2 GLN B 567 23.028 4.472 -9.910 1.00 0.00 N flip ATOM 0 H GLN B 567 23.783 0.586 -5.527 1.00 0.00 H new ATOM 0 HA GLN B 567 25.608 2.806 -5.664 1.00 0.00 H new ATOM 0 HB2 GLN B 567 24.853 1.675 -7.670 1.00 0.00 H new ATOM 0 HB3 GLN B 567 23.171 1.936 -7.251 1.00 0.00 H new ATOM 0 HG2 GLN B 567 23.607 4.430 -7.419 1.00 0.00 H new ATOM 0 HG3 GLN B 567 25.199 4.048 -8.043 1.00 0.00 H new ATOM 0 HE21 GLN B 567 22.945 5.368 -9.430 1.00 0.00 H new ATOM 0 HE22 GLN B 567 22.642 4.358 -10.847 1.00 0.00 H new ATOM 1741 N ALA B 568 22.468 3.275 -4.777 1.00 0.00 N ATOM 1742 CA ALA B 568 21.536 4.198 -4.131 1.00 0.00 C ATOM 1743 C ALA B 568 22.081 4.669 -2.784 1.00 0.00 C ATOM 1744 O ALA B 568 21.893 5.822 -2.390 1.00 0.00 O ATOM 1745 CB ALA B 568 20.177 3.537 -3.952 1.00 0.00 C ATOM 0 H ALA B 568 22.069 2.360 -4.989 1.00 0.00 H new ATOM 0 HA ALA B 568 21.419 5.071 -4.774 1.00 0.00 H new ATOM 0 HB1 ALA B 568 19.493 4.236 -3.470 1.00 0.00 H new ATOM 0 HB2 ALA B 568 19.779 3.254 -4.926 1.00 0.00 H new ATOM 0 HB3 ALA B 568 20.284 2.647 -3.331 1.00 0.00 H new ATOM 1751 N LEU B 569 22.774 3.771 -2.095 1.00 0.00 N ATOM 1752 CA LEU B 569 23.358 4.083 -0.796 1.00 0.00 C ATOM 1753 C LEU B 569 24.538 5.039 -0.950 1.00 0.00 C ATOM 1754 O LEU B 569 24.791 5.874 -0.081 1.00 0.00 O ATOM 1755 CB LEU B 569 23.801 2.802 -0.085 1.00 0.00 C ATOM 1756 CG LEU B 569 23.001 2.440 1.170 1.00 0.00 C ATOM 1757 CD1 LEU B 569 23.230 3.470 2.265 1.00 0.00 C ATOM 1758 CD2 LEU B 569 21.519 2.329 0.846 1.00 0.00 C ATOM 0 H LEU B 569 22.946 2.818 -2.415 1.00 0.00 H new ATOM 0 HA LEU B 569 22.596 4.572 -0.189 1.00 0.00 H new ATOM 0 HB2 LEU B 569 23.734 1.973 -0.790 1.00 0.00 H new ATOM 0 HB3 LEU B 569 24.851 2.903 0.190 1.00 0.00 H new ATOM 0 HG LEU B 569 23.348 1.471 1.530 1.00 0.00 H new ATOM 0 HD11 LEU B 569 22.654 3.196 3.149 1.00 0.00 H new ATOM 0 HD12 LEU B 569 24.290 3.502 2.519 1.00 0.00 H new ATOM 0 HD13 LEU B 569 22.911 4.451 1.914 1.00 0.00 H new ATOM 0 HD21 LEU B 569 20.967 2.071 1.750 1.00 0.00 H new ATOM 0 HD22 LEU B 569 21.158 3.283 0.460 1.00 0.00 H new ATOM 0 HD23 LEU B 569 21.368 1.553 0.095 1.00 0.00 H new ATOM 1770 N ILE B 570 25.249 4.925 -2.068 1.00 0.00 N ATOM 1771 CA ILE B 570 26.391 5.789 -2.340 1.00 0.00 C ATOM 1772 C ILE B 570 25.907 7.174 -2.754 1.00 0.00 C ATOM 1773 O ILE B 570 26.458 8.194 -2.332 1.00 0.00 O ATOM 1774 CB ILE B 570 27.303 5.207 -3.450 1.00 0.00 C ATOM 1775 CG1 ILE B 570 27.914 3.877 -2.998 1.00 0.00 C ATOM 1776 CG2 ILE B 570 28.402 6.194 -3.830 1.00 0.00 C ATOM 1777 CD1 ILE B 570 28.838 4.000 -1.803 1.00 0.00 C ATOM 0 H ILE B 570 25.054 4.242 -2.800 1.00 0.00 H new ATOM 0 HA ILE B 570 26.977 5.857 -1.424 1.00 0.00 H new ATOM 0 HB ILE B 570 26.688 5.028 -4.332 1.00 0.00 H new ATOM 0 HG12 ILE B 570 27.110 3.184 -2.753 1.00 0.00 H new ATOM 0 HG13 ILE B 570 28.468 3.442 -3.830 1.00 0.00 H new ATOM 0 HG21 ILE B 570 29.027 5.760 -4.611 1.00 0.00 H new ATOM 0 HG22 ILE B 570 27.952 7.116 -4.197 1.00 0.00 H new ATOM 0 HG23 ILE B 570 29.014 6.412 -2.955 1.00 0.00 H new ATOM 0 HD11 ILE B 570 29.230 3.017 -1.544 1.00 0.00 H new ATOM 0 HD12 ILE B 570 29.664 4.667 -2.049 1.00 0.00 H new ATOM 0 HD13 ILE B 570 28.285 4.405 -0.956 1.00 0.00 H new ATOM 1789 N ALA B 571 24.860 7.193 -3.568 1.00 0.00 N ATOM 1790 CA ALA B 571 24.275 8.437 -4.055 1.00 0.00 C ATOM 1791 C ALA B 571 23.738 9.290 -2.912 1.00 0.00 C ATOM 1792 O ALA B 571 23.735 10.518 -2.992 1.00 0.00 O ATOM 1793 CB ALA B 571 23.167 8.143 -5.056 1.00 0.00 C ATOM 0 H ALA B 571 24.394 6.352 -3.908 1.00 0.00 H new ATOM 0 HA ALA B 571 25.064 9.002 -4.550 1.00 0.00 H new ATOM 0 HB1 ALA B 571 22.739 9.081 -5.411 1.00 0.00 H new ATOM 0 HB2 ALA B 571 23.577 7.588 -5.900 1.00 0.00 H new ATOM 0 HB3 ALA B 571 22.390 7.549 -4.575 1.00 0.00 H new ATOM 1799 N THR B 572 23.280 8.636 -1.854 1.00 0.00 N ATOM 1800 CA THR B 572 22.740 9.337 -0.702 1.00 0.00 C ATOM 1801 C THR B 572 23.810 9.570 0.359 1.00 0.00 C ATOM 1802 O THR B 572 23.835 10.613 1.008 1.00 0.00 O ATOM 1803 CB THR B 572 21.573 8.556 -0.088 1.00 0.00 C ATOM 1804 OG1 THR B 572 21.908 7.163 -0.018 1.00 0.00 O ATOM 1805 CG2 THR B 572 20.309 8.751 -0.912 1.00 0.00 C ATOM 0 H THR B 572 23.272 7.619 -1.771 1.00 0.00 H new ATOM 0 HA THR B 572 22.380 10.305 -1.052 1.00 0.00 H new ATOM 0 HB THR B 572 21.388 8.932 0.918 1.00 0.00 H new ATOM 0 HG1 THR B 572 21.750 6.744 -0.890 1.00 0.00 H new ATOM 0 HG21 THR B 572 19.491 8.189 -0.461 1.00 0.00 H new ATOM 0 HG22 THR B 572 20.051 9.810 -0.938 1.00 0.00 H new ATOM 0 HG23 THR B 572 20.478 8.394 -1.928 1.00 0.00 H new ATOM 1813 N GLY B 573 24.684 8.588 0.540 1.00 0.00 N ATOM 1814 CA GLY B 573 25.745 8.714 1.519 1.00 0.00 C ATOM 1815 C GLY B 573 25.331 8.230 2.894 1.00 0.00 C ATOM 1816 O GLY B 573 25.878 8.671 3.908 1.00 0.00 O ATOM 0 H GLY B 573 24.677 7.707 0.026 1.00 0.00 H new ATOM 0 HA2 GLY B 573 26.613 8.146 1.184 1.00 0.00 H new ATOM 0 HA3 GLY B 573 26.053 9.758 1.583 1.00 0.00 H new ATOM 1820 N GLY B 574 24.367 7.323 2.931 1.00 0.00 N ATOM 1821 CA GLY B 574 23.897 6.791 4.196 1.00 0.00 C ATOM 1822 C GLY B 574 22.415 7.012 4.404 1.00 0.00 C ATOM 1823 O GLY B 574 21.800 6.375 5.259 1.00 0.00 O ATOM 0 H GLY B 574 23.900 6.944 2.107 1.00 0.00 H new ATOM 0 HA2 GLY B 574 24.111 5.723 4.239 1.00 0.00 H new ATOM 0 HA3 GLY B 574 24.449 7.260 5.011 1.00 0.00 H new ATOM 1827 N ASP B 575 21.840 7.918 3.623 1.00 0.00 N ATOM 1828 CA ASP B 575 20.415 8.217 3.720 1.00 0.00 C ATOM 1829 C ASP B 575 19.610 7.104 3.060 1.00 0.00 C ATOM 1830 O ASP B 575 19.253 7.191 1.885 1.00 0.00 O ATOM 1831 CB ASP B 575 20.104 9.560 3.060 1.00 0.00 C ATOM 1832 CG ASP B 575 18.993 10.303 3.766 1.00 0.00 C ATOM 1833 OD1 ASP B 575 17.863 9.780 3.822 1.00 0.00 O ATOM 1834 OD2 ASP B 575 19.250 11.420 4.271 1.00 0.00 O ATOM 0 H ASP B 575 22.337 8.459 2.915 1.00 0.00 H new ATOM 0 HA ASP B 575 20.138 8.281 4.772 1.00 0.00 H new ATOM 0 HB2 ASP B 575 21.003 10.176 3.054 1.00 0.00 H new ATOM 0 HB3 ASP B 575 19.824 9.395 2.020 1.00 0.00 H new ATOM 1839 N ILE B 576 19.342 6.057 3.828 1.00 0.00 N ATOM 1840 CA ILE B 576 18.618 4.888 3.341 1.00 0.00 C ATOM 1841 C ILE B 576 17.219 5.232 2.835 1.00 0.00 C ATOM 1842 O ILE B 576 16.831 4.796 1.749 1.00 0.00 O ATOM 1843 CB ILE B 576 18.531 3.799 4.434 1.00 0.00 C ATOM 1844 CG1 ILE B 576 19.939 3.434 4.920 1.00 0.00 C ATOM 1845 CG2 ILE B 576 17.813 2.563 3.910 1.00 0.00 C ATOM 1846 CD1 ILE B 576 19.956 2.480 6.096 1.00 0.00 C ATOM 0 H ILE B 576 19.620 5.993 4.807 1.00 0.00 H new ATOM 0 HA ILE B 576 19.186 4.504 2.494 1.00 0.00 H new ATOM 0 HB ILE B 576 17.957 4.193 5.273 1.00 0.00 H new ATOM 0 HG12 ILE B 576 20.493 2.987 4.094 1.00 0.00 H new ATOM 0 HG13 ILE B 576 20.464 4.347 5.199 1.00 0.00 H new ATOM 0 HG21 ILE B 576 17.764 1.810 4.697 1.00 0.00 H new ATOM 0 HG22 ILE B 576 16.803 2.832 3.602 1.00 0.00 H new ATOM 0 HG23 ILE B 576 18.358 2.160 3.056 1.00 0.00 H new ATOM 0 HD11 ILE B 576 20.987 2.271 6.380 1.00 0.00 H new ATOM 0 HD12 ILE B 576 19.432 2.932 6.938 1.00 0.00 H new ATOM 0 HD13 ILE B 576 19.461 1.550 5.817 1.00 0.00 H new ATOM 1858 N ASN B 577 16.461 6.010 3.603 1.00 0.00 N ATOM 1859 CA ASN B 577 15.104 6.390 3.213 1.00 0.00 C ATOM 1860 C ASN B 577 15.090 7.145 1.891 1.00 0.00 C ATOM 1861 O ASN B 577 14.329 6.805 0.984 1.00 0.00 O ATOM 1862 CB ASN B 577 14.460 7.249 4.304 1.00 0.00 C ATOM 1863 CG ASN B 577 13.642 6.437 5.294 1.00 0.00 C ATOM 1864 OD1 ASN B 577 12.422 6.330 5.172 1.00 0.00 O ATOM 1865 ND2 ASN B 577 14.304 5.870 6.289 1.00 0.00 N ATOM 0 H ASN B 577 16.763 6.391 4.500 1.00 0.00 H new ATOM 0 HA ASN B 577 14.530 5.472 3.085 1.00 0.00 H new ATOM 0 HB2 ASN B 577 15.240 7.788 4.842 1.00 0.00 H new ATOM 0 HB3 ASN B 577 13.818 7.997 3.838 1.00 0.00 H new ATOM 0 HD21 ASN B 577 13.803 5.322 6.988 1.00 0.00 H new ATOM 0 HD22 ASN B 577 15.316 5.981 6.357 1.00 0.00 H new ATOM 1872 N ALA B 578 15.952 8.151 1.766 1.00 0.00 N ATOM 1873 CA ALA B 578 16.013 8.945 0.547 1.00 0.00 C ATOM 1874 C ALA B 578 16.478 8.088 -0.623 1.00 0.00 C ATOM 1875 O ALA B 578 16.104 8.327 -1.775 1.00 0.00 O ATOM 1876 CB ALA B 578 16.940 10.135 0.728 1.00 0.00 C ATOM 0 H ALA B 578 16.613 8.433 2.490 1.00 0.00 H new ATOM 0 HA ALA B 578 15.012 9.317 0.331 1.00 0.00 H new ATOM 0 HB1 ALA B 578 16.972 10.715 -0.194 1.00 0.00 H new ATOM 0 HB2 ALA B 578 16.572 10.763 1.539 1.00 0.00 H new ATOM 0 HB3 ALA B 578 17.943 9.782 0.969 1.00 0.00 H new ATOM 1882 N ALA B 579 17.294 7.089 -0.315 1.00 0.00 N ATOM 1883 CA ALA B 579 17.807 6.179 -1.323 1.00 0.00 C ATOM 1884 C ALA B 579 16.682 5.333 -1.896 1.00 0.00 C ATOM 1885 O ALA B 579 16.423 5.370 -3.093 1.00 0.00 O ATOM 1886 CB ALA B 579 18.891 5.286 -0.734 1.00 0.00 C ATOM 0 H ALA B 579 17.615 6.890 0.632 1.00 0.00 H new ATOM 0 HA ALA B 579 18.244 6.769 -2.128 1.00 0.00 H new ATOM 0 HB1 ALA B 579 19.264 4.610 -1.504 1.00 0.00 H new ATOM 0 HB2 ALA B 579 19.710 5.903 -0.365 1.00 0.00 H new ATOM 0 HB3 ALA B 579 18.476 4.704 0.089 1.00 0.00 H new ATOM 1892 N ILE B 580 16.001 4.596 -1.021 1.00 0.00 N ATOM 1893 CA ILE B 580 14.904 3.721 -1.424 1.00 0.00 C ATOM 1894 C ILE B 580 13.811 4.487 -2.175 1.00 0.00 C ATOM 1895 O ILE B 580 13.257 3.980 -3.154 1.00 0.00 O ATOM 1896 CB ILE B 580 14.297 2.992 -0.205 1.00 0.00 C ATOM 1897 CG1 ILE B 580 15.354 2.090 0.440 1.00 0.00 C ATOM 1898 CG2 ILE B 580 13.076 2.177 -0.614 1.00 0.00 C ATOM 1899 CD1 ILE B 580 14.897 1.419 1.719 1.00 0.00 C ATOM 0 H ILE B 580 16.193 4.589 -0.019 1.00 0.00 H new ATOM 0 HA ILE B 580 15.324 2.979 -2.103 1.00 0.00 H new ATOM 0 HB ILE B 580 13.975 3.737 0.523 1.00 0.00 H new ATOM 0 HG12 ILE B 580 15.647 1.322 -0.276 1.00 0.00 H new ATOM 0 HG13 ILE B 580 16.243 2.684 0.652 1.00 0.00 H new ATOM 0 HG21 ILE B 580 12.666 1.673 0.261 1.00 0.00 H new ATOM 0 HG22 ILE B 580 12.322 2.840 -1.038 1.00 0.00 H new ATOM 0 HG23 ILE B 580 13.366 1.435 -1.358 1.00 0.00 H new ATOM 0 HD11 ILE B 580 15.702 0.799 2.112 1.00 0.00 H new ATOM 0 HD12 ILE B 580 14.632 2.179 2.454 1.00 0.00 H new ATOM 0 HD13 ILE B 580 14.027 0.796 1.512 1.00 0.00 H new ATOM 1911 N GLU B 581 13.515 5.708 -1.724 1.00 0.00 N ATOM 1912 CA GLU B 581 12.500 6.543 -2.367 1.00 0.00 C ATOM 1913 C GLU B 581 12.787 6.675 -3.865 1.00 0.00 C ATOM 1914 O GLU B 581 11.960 6.323 -4.707 1.00 0.00 O ATOM 1915 CB GLU B 581 12.458 7.934 -1.717 1.00 0.00 C ATOM 1916 CG GLU B 581 11.590 8.013 -0.469 1.00 0.00 C ATOM 1917 CD GLU B 581 11.667 9.367 0.212 1.00 0.00 C ATOM 1918 OE1 GLU B 581 11.338 10.386 -0.438 1.00 0.00 O ATOM 1919 OE2 GLU B 581 12.062 9.423 1.395 1.00 0.00 O ATOM 0 H GLU B 581 13.964 6.140 -0.916 1.00 0.00 H new ATOM 0 HA GLU B 581 11.530 6.064 -2.235 1.00 0.00 H new ATOM 0 HB2 GLU B 581 13.474 8.233 -1.459 1.00 0.00 H new ATOM 0 HB3 GLU B 581 12.090 8.654 -2.448 1.00 0.00 H new ATOM 0 HG2 GLU B 581 10.554 7.804 -0.738 1.00 0.00 H new ATOM 0 HG3 GLU B 581 11.899 7.239 0.234 1.00 0.00 H new ATOM 1926 N ARG B 582 13.963 7.194 -4.177 1.00 0.00 N ATOM 1927 CA ARG B 582 14.395 7.376 -5.559 1.00 0.00 C ATOM 1928 C ARG B 582 14.707 6.041 -6.246 1.00 0.00 C ATOM 1929 O ARG B 582 14.432 5.864 -7.435 1.00 0.00 O ATOM 1930 CB ARG B 582 15.623 8.293 -5.589 1.00 0.00 C ATOM 1931 CG ARG B 582 16.417 8.229 -6.880 1.00 0.00 C ATOM 1932 CD ARG B 582 17.410 9.372 -6.977 1.00 0.00 C ATOM 1933 NE ARG B 582 18.393 9.142 -8.030 1.00 0.00 N ATOM 1934 CZ ARG B 582 19.263 10.050 -8.452 1.00 0.00 C ATOM 1935 NH1 ARG B 582 19.235 11.284 -7.962 1.00 0.00 N ATOM 1936 NH2 ARG B 582 20.149 9.724 -9.383 1.00 0.00 N ATOM 0 H ARG B 582 14.646 7.501 -3.484 1.00 0.00 H new ATOM 0 HA ARG B 582 13.576 7.835 -6.113 1.00 0.00 H new ATOM 0 HB2 ARG B 582 15.299 9.321 -5.426 1.00 0.00 H new ATOM 0 HB3 ARG B 582 16.279 8.030 -4.759 1.00 0.00 H new ATOM 0 HG2 ARG B 582 16.948 7.278 -6.936 1.00 0.00 H new ATOM 0 HG3 ARG B 582 15.736 8.264 -7.730 1.00 0.00 H new ATOM 0 HD2 ARG B 582 16.877 10.302 -7.173 1.00 0.00 H new ATOM 0 HD3 ARG B 582 17.921 9.493 -6.022 1.00 0.00 H new ATOM 0 HE ARG B 582 18.413 8.222 -8.471 1.00 0.00 H new ATOM 0 HH11 ARG B 582 18.542 11.537 -7.258 1.00 0.00 H new ATOM 0 HH12 ARG B 582 19.906 11.978 -8.290 1.00 0.00 H new ATOM 0 HH21 ARG B 582 20.158 8.780 -9.770 1.00 0.00 H new ATOM 0 HH22 ARG B 582 20.821 10.417 -9.712 1.00 0.00 H new ATOM 1950 N LEU B 583 15.262 5.104 -5.487 1.00 0.00 N ATOM 1951 CA LEU B 583 15.643 3.790 -6.009 1.00 0.00 C ATOM 1952 C LEU B 583 14.453 3.036 -6.593 1.00 0.00 C ATOM 1953 O LEU B 583 14.557 2.436 -7.662 1.00 0.00 O ATOM 1954 CB LEU B 583 16.290 2.956 -4.902 1.00 0.00 C ATOM 1955 CG LEU B 583 16.645 1.518 -5.279 1.00 0.00 C ATOM 1956 CD1 LEU B 583 17.726 1.488 -6.348 1.00 0.00 C ATOM 1957 CD2 LEU B 583 17.090 0.750 -4.046 1.00 0.00 C ATOM 0 H LEU B 583 15.462 5.229 -4.495 1.00 0.00 H new ATOM 0 HA LEU B 583 16.357 3.955 -6.816 1.00 0.00 H new ATOM 0 HB2 LEU B 583 17.199 3.462 -4.575 1.00 0.00 H new ATOM 0 HB3 LEU B 583 15.614 2.932 -4.048 1.00 0.00 H new ATOM 0 HG LEU B 583 15.756 1.039 -5.688 1.00 0.00 H new ATOM 0 HD11 LEU B 583 17.961 0.454 -6.599 1.00 0.00 H new ATOM 0 HD12 LEU B 583 17.371 2.006 -7.239 1.00 0.00 H new ATOM 0 HD13 LEU B 583 18.622 1.983 -5.973 1.00 0.00 H new ATOM 0 HD21 LEU B 583 17.341 -0.273 -4.326 1.00 0.00 H new ATOM 0 HD22 LEU B 583 17.966 1.233 -3.613 1.00 0.00 H new ATOM 0 HD23 LEU B 583 16.283 0.739 -3.313 1.00 0.00 H new ATOM 1969 N LEU B 584 13.324 3.061 -5.900 1.00 0.00 N ATOM 1970 CA LEU B 584 12.140 2.359 -6.379 1.00 0.00 C ATOM 1971 C LEU B 584 11.581 3.036 -7.628 1.00 0.00 C ATOM 1972 O LEU B 584 10.890 2.406 -8.427 1.00 0.00 O ATOM 1973 CB LEU B 584 11.073 2.274 -5.281 1.00 0.00 C ATOM 1974 CG LEU B 584 10.113 3.463 -5.189 1.00 0.00 C ATOM 1975 CD1 LEU B 584 8.761 3.107 -5.791 1.00 0.00 C ATOM 1976 CD2 LEU B 584 9.957 3.905 -3.745 1.00 0.00 C ATOM 0 H LEU B 584 13.202 3.553 -5.015 1.00 0.00 H new ATOM 0 HA LEU B 584 12.432 1.343 -6.644 1.00 0.00 H new ATOM 0 HB2 LEU B 584 10.486 1.369 -5.441 1.00 0.00 H new ATOM 0 HB3 LEU B 584 11.576 2.162 -4.320 1.00 0.00 H new ATOM 0 HG LEU B 584 10.532 4.292 -5.760 1.00 0.00 H new ATOM 0 HD11 LEU B 584 8.092 3.965 -5.716 1.00 0.00 H new ATOM 0 HD12 LEU B 584 8.889 2.837 -6.839 1.00 0.00 H new ATOM 0 HD13 LEU B 584 8.332 2.264 -5.249 1.00 0.00 H new ATOM 0 HD21 LEU B 584 9.272 4.751 -3.696 1.00 0.00 H new ATOM 0 HD22 LEU B 584 9.559 3.081 -3.153 1.00 0.00 H new ATOM 0 HD23 LEU B 584 10.928 4.201 -3.348 1.00 0.00 H new ATOM 1988 N GLY B 585 11.894 4.317 -7.795 1.00 0.00 N ATOM 1989 CA GLY B 585 11.420 5.053 -8.948 1.00 0.00 C ATOM 1990 C GLY B 585 12.256 4.774 -10.180 1.00 0.00 C ATOM 1991 O GLY B 585 11.723 4.452 -11.244 1.00 0.00 O ATOM 0 H GLY B 585 12.469 4.858 -7.149 1.00 0.00 H new ATOM 0 HA2 GLY B 585 10.382 4.787 -9.146 1.00 0.00 H new ATOM 0 HA3 GLY B 585 11.440 6.121 -8.730 1.00 0.00 H new ATOM 1995 N SER B 586 13.570 4.900 -10.039 1.00 0.00 N ATOM 1996 CA SER B 586 14.492 4.654 -11.141 1.00 0.00 C ATOM 1997 C SER B 586 15.872 4.257 -10.610 1.00 0.00 C ATOM 1998 O SER B 586 16.078 3.109 -10.212 1.00 0.00 O ATOM 1999 CB SER B 586 14.595 5.888 -12.046 1.00 0.00 C ATOM 2000 OG SER B 586 13.343 6.195 -12.635 1.00 0.00 O ATOM 0 H SER B 586 14.023 5.173 -9.167 1.00 0.00 H new ATOM 0 HA SER B 586 14.103 3.827 -11.735 1.00 0.00 H new ATOM 0 HB2 SER B 586 14.946 6.741 -11.465 1.00 0.00 H new ATOM 0 HB3 SER B 586 15.334 5.709 -12.827 1.00 0.00 H new ATOM 0 HG SER B 586 13.435 6.986 -13.206 1.00 0.00 H new ATOM 2006 N SER B 587 16.804 5.207 -10.601 1.00 0.00 N ATOM 2007 CA SER B 587 18.161 4.981 -10.118 1.00 0.00 C ATOM 2008 C SER B 587 18.847 6.326 -9.927 1.00 0.00 C ATOM 2009 O SER B 587 18.159 7.358 -10.076 1.00 0.00 O ATOM 2010 CB SER B 587 18.966 4.118 -11.101 1.00 0.00 C ATOM 2011 OG SER B 587 18.506 2.777 -11.108 1.00 0.00 O ATOM 2012 OXT SER B 587 20.061 6.356 -9.635 1.00 0.00 O ATOM 0 H SER B 587 16.637 6.158 -10.930 1.00 0.00 H new ATOM 0 HA SER B 587 18.111 4.446 -9.170 1.00 0.00 H new ATOM 0 HB2 SER B 587 18.887 4.537 -12.104 1.00 0.00 H new ATOM 0 HB3 SER B 587 20.021 4.141 -10.828 1.00 0.00 H new ATOM 0 HG SER B 587 17.776 2.678 -10.461 1.00 0.00 H new TER 2018 SER B 587