USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 832 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 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 45 LYS NZ :NH3+ 166:sc= -0.0369 (180deg=-0.293) USER MOD Set 2.1: A 37 LYS NZ :NH3+ -151:sc=-0.00986 (180deg=-0.151) USER MOD Set 2.2: A 38 LYS NZ :NH3+ -179:sc= -0.0026 (180deg=-0.0118) USER MOD Single : A 1 SER N :NH3+ -169:sc= -0.0597 (180deg=-0.194) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 MET CE :methyl -113:sc= -0.429 (180deg=-1.86) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 38:sc= -3.04! USER MOD Single : A 12 LYS NZ :NH3+ -160:sc= -0.0406 (180deg=-0.336) USER MOD Single : A 13 LYS NZ :NH3+ -142:sc= -2.82! (180deg=-5.07!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= -13.7! C(o=-14!,f=-20!) USER MOD Single : A 27 LYS NZ :NH3+ -159:sc= -0.144 (180deg=-0.667) USER MOD Single : A 28 LYS NZ :NH3+ -151:sc= 1.07 (180deg=-0.409) USER MOD Single : A 31 GLN : amide:sc=-0.00589 K(o=-0.0059,f=-0.9) USER MOD Single : A 32 MET CE :methyl -121:sc= -1.51 (180deg=-3.18!) USER MOD Single : A 36 LYS NZ :NH3+ -155:sc= -4.05! (180deg=-6.48!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 52 LYS NZ :NH3+ 141:sc= -0.0171 (180deg=-0.732) USER MOD Single : A 54 LYS NZ :NH3+ -162:sc= -0.0523 (180deg=-0.36) USER MOD Single : A 55 SER OG : rot -43:sc= 0.822 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -170:sc= -0.0152 (180deg=-0.159) USER MOD Single : A 71 SER OG : rot -32:sc= 0.0159 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 166:sc= -0.0227 (180deg=-0.245) USER MOD Single : A 82 THR OG1 : rot 77:sc= -0.754 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 73:sc= 0.988 USER MOD Single : A 86 MET CE :methyl 170:sc= -9.33! (180deg=-10.3!) USER MOD Single : A 91 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.901) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= -0.332 USER MOD Single : A 104 THR OG1 : rot -159:sc= -0.649 USER MOD Single : A 109 SER OG : rot 86:sc= -3.11! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.991 -12.148 6.651 1.00 0.00 N ATOM 2 CA SER A 1 3.798 -11.258 7.528 1.00 0.00 C ATOM 3 C SER A 1 4.251 -10.007 6.779 1.00 0.00 C ATOM 4 O SER A 1 4.512 -8.972 7.391 1.00 0.00 O ATOM 5 CB SER A 1 5.018 -12.012 8.065 1.00 0.00 C ATOM 6 OG SER A 1 5.810 -11.175 8.888 1.00 0.00 O ATOM 0 H1 SER A 1 2.543 -12.889 7.227 1.00 0.00 H new ATOM 0 H2 SER A 1 2.256 -11.590 6.172 1.00 0.00 H new ATOM 0 H3 SER A 1 3.609 -12.588 5.940 1.00 0.00 H new ATOM 0 HA SER A 1 3.168 -10.948 8.362 1.00 0.00 H new ATOM 0 HB2 SER A 1 4.691 -12.883 8.633 1.00 0.00 H new ATOM 0 HB3 SER A 1 5.617 -12.382 7.233 1.00 0.00 H new ATOM 0 HG SER A 1 6.582 -11.679 9.220 1.00 0.00 H new ATOM 14 N MET A 2 4.347 -10.113 5.453 1.00 0.00 N ATOM 15 CA MET A 2 4.766 -8.996 4.594 1.00 0.00 C ATOM 16 C MET A 2 6.288 -8.895 4.493 1.00 0.00 C ATOM 17 O MET A 2 6.825 -8.645 3.413 1.00 0.00 O ATOM 18 CB MET A 2 4.191 -7.662 5.088 1.00 0.00 C ATOM 19 CG MET A 2 4.280 -6.545 4.060 1.00 0.00 C ATOM 20 SD MET A 2 4.313 -4.910 4.816 1.00 0.00 S ATOM 21 CE MET A 2 5.851 -4.999 5.729 1.00 0.00 C ATOM 0 H MET A 2 4.138 -10.971 4.942 1.00 0.00 H new ATOM 0 HA MET A 2 4.369 -9.204 3.600 1.00 0.00 H new ATOM 0 HB2 MET A 2 3.147 -7.806 5.366 1.00 0.00 H new ATOM 0 HB3 MET A 2 4.722 -7.358 5.990 1.00 0.00 H new ATOM 0 HG2 MET A 2 5.178 -6.681 3.458 1.00 0.00 H new ATOM 0 HG3 MET A 2 3.429 -6.611 3.382 1.00 0.00 H new ATOM 0 HE1 MET A 2 5.641 -4.981 6.798 1.00 0.00 H new ATOM 0 HE2 MET A 2 6.371 -5.923 5.477 1.00 0.00 H new ATOM 0 HE3 MET A 2 6.479 -4.147 5.468 1.00 0.00 H new ATOM 31 N THR A 3 6.986 -9.086 5.612 1.00 0.00 N ATOM 32 CA THR A 3 8.441 -9.010 5.621 1.00 0.00 C ATOM 33 C THR A 3 9.041 -10.137 4.792 1.00 0.00 C ATOM 34 O THR A 3 10.072 -9.969 4.143 1.00 0.00 O ATOM 35 CB THR A 3 9.004 -9.080 7.054 1.00 0.00 C ATOM 36 OG1 THR A 3 8.485 -8.000 7.837 1.00 0.00 O ATOM 37 CG2 THR A 3 10.525 -9.018 7.043 1.00 0.00 C ATOM 0 H THR A 3 6.567 -9.293 6.519 1.00 0.00 H new ATOM 0 HA THR A 3 8.715 -8.049 5.186 1.00 0.00 H new ATOM 0 HB THR A 3 8.698 -10.029 7.494 1.00 0.00 H new ATOM 0 HG1 THR A 3 8.846 -8.052 8.747 1.00 0.00 H new ATOM 0 HG21 THR A 3 10.899 -9.069 8.066 1.00 0.00 H new ATOM 0 HG22 THR A 3 10.919 -9.857 6.470 1.00 0.00 H new ATOM 0 HG23 THR A 3 10.848 -8.083 6.585 1.00 0.00 H new ATOM 45 N ASP A 4 8.382 -11.288 4.824 1.00 0.00 N ATOM 46 CA ASP A 4 8.836 -12.451 4.072 1.00 0.00 C ATOM 47 C ASP A 4 8.223 -12.456 2.675 1.00 0.00 C ATOM 48 O ASP A 4 8.783 -13.030 1.740 1.00 0.00 O ATOM 49 CB ASP A 4 8.473 -13.740 4.811 1.00 0.00 C ATOM 50 CG ASP A 4 9.134 -13.831 6.173 1.00 0.00 C ATOM 51 OD1 ASP A 4 8.637 -13.185 7.118 1.00 0.00 O ATOM 52 OD2 ASP A 4 10.148 -14.551 6.293 1.00 0.00 O ATOM 0 H ASP A 4 7.530 -11.441 5.363 1.00 0.00 H new ATOM 0 HA ASP A 4 9.920 -12.396 3.977 1.00 0.00 H new ATOM 0 HB2 ASP A 4 7.391 -13.795 4.931 1.00 0.00 H new ATOM 0 HB3 ASP A 4 8.771 -14.598 4.208 1.00 0.00 H new ATOM 57 N LEU A 5 7.066 -11.814 2.546 1.00 0.00 N ATOM 58 CA LEU A 5 6.370 -11.732 1.269 1.00 0.00 C ATOM 59 C LEU A 5 6.917 -10.579 0.433 1.00 0.00 C ATOM 60 O LEU A 5 7.503 -10.792 -0.628 1.00 0.00 O ATOM 61 CB LEU A 5 4.872 -11.546 1.503 1.00 0.00 C ATOM 62 CG LEU A 5 4.216 -12.614 2.376 1.00 0.00 C ATOM 63 CD1 LEU A 5 2.706 -12.500 2.310 1.00 0.00 C ATOM 64 CD2 LEU A 5 4.662 -13.996 1.940 1.00 0.00 C ATOM 0 H LEU A 5 6.590 -11.342 3.315 1.00 0.00 H new ATOM 0 HA LEU A 5 6.533 -12.661 0.724 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.710 -10.572 1.964 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.368 -11.529 0.537 1.00 0.00 H new ATOM 0 HG LEU A 5 4.528 -12.457 3.409 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.255 -13.269 2.938 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.400 -11.516 2.665 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.376 -12.633 1.280 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.187 -14.747 2.571 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.375 -14.160 0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.745 -14.075 2.034 1.00 0.00 H new ATOM 76 N LEU A 6 6.724 -9.356 0.920 1.00 0.00 N ATOM 77 CA LEU A 6 7.207 -8.175 0.216 1.00 0.00 C ATOM 78 C LEU A 6 8.714 -8.034 0.381 1.00 0.00 C ATOM 79 O LEU A 6 9.265 -8.372 1.428 1.00 0.00 O ATOM 80 CB LEU A 6 6.511 -6.916 0.740 1.00 0.00 C ATOM 81 CG LEU A 6 4.996 -6.888 0.557 1.00 0.00 C ATOM 82 CD1 LEU A 6 4.430 -5.545 0.994 1.00 0.00 C ATOM 83 CD2 LEU A 6 4.640 -7.167 -0.893 1.00 0.00 C ATOM 0 H LEU A 6 6.239 -9.159 1.795 1.00 0.00 H new ATOM 0 HA LEU A 6 6.976 -8.293 -0.843 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.735 -6.812 1.802 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.938 -6.048 0.237 1.00 0.00 H new ATOM 0 HG LEU A 6 4.555 -7.665 1.182 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.349 -5.544 0.856 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.662 -5.377 2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.873 -4.751 0.393 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.557 -7.145 -1.012 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.091 -6.407 -1.531 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.016 -8.150 -1.177 1.00 0.00 H new ATOM 95 N SER A 7 9.377 -7.531 -0.656 1.00 0.00 N ATOM 96 CA SER A 7 10.821 -7.345 -0.614 1.00 0.00 C ATOM 97 C SER A 7 11.226 -6.599 0.660 1.00 0.00 C ATOM 98 O SER A 7 10.949 -5.409 0.803 1.00 0.00 O ATOM 99 CB SER A 7 11.281 -6.575 -1.849 1.00 0.00 C ATOM 100 OG SER A 7 10.364 -5.547 -2.180 1.00 0.00 O ATOM 0 H SER A 7 8.938 -7.246 -1.532 1.00 0.00 H new ATOM 0 HA SER A 7 11.302 -8.323 -0.607 1.00 0.00 H new ATOM 0 HB2 SER A 7 12.265 -6.144 -1.667 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.384 -7.260 -2.691 1.00 0.00 H new ATOM 0 HG SER A 7 10.019 -5.139 -1.358 1.00 0.00 H new ATOM 106 N ALA A 8 11.894 -7.305 1.570 1.00 0.00 N ATOM 107 CA ALA A 8 12.312 -6.721 2.845 1.00 0.00 C ATOM 108 C ALA A 8 13.341 -5.611 2.661 1.00 0.00 C ATOM 109 O ALA A 8 13.248 -4.558 3.293 1.00 0.00 O ATOM 110 CB ALA A 8 12.865 -7.803 3.760 1.00 0.00 C ATOM 0 H ALA A 8 12.158 -8.283 1.449 1.00 0.00 H new ATOM 0 HA ALA A 8 11.430 -6.273 3.302 1.00 0.00 H new ATOM 0 HB1 ALA A 8 13.173 -7.357 4.706 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.095 -8.551 3.945 1.00 0.00 H new ATOM 0 HB3 ALA A 8 13.724 -8.277 3.285 1.00 0.00 H new ATOM 116 N GLU A 9 14.321 -5.844 1.798 1.00 0.00 N ATOM 117 CA GLU A 9 15.360 -4.854 1.542 1.00 0.00 C ATOM 118 C GLU A 9 14.762 -3.601 0.901 1.00 0.00 C ATOM 119 O GLU A 9 15.049 -2.478 1.311 1.00 0.00 O ATOM 120 CB GLU A 9 16.443 -5.454 0.637 1.00 0.00 C ATOM 121 CG GLU A 9 17.395 -4.428 0.044 1.00 0.00 C ATOM 122 CD GLU A 9 18.455 -5.052 -0.844 1.00 0.00 C ATOM 123 OE1 GLU A 9 18.176 -5.265 -2.042 1.00 0.00 O ATOM 124 OE2 GLU A 9 19.563 -5.330 -0.340 1.00 0.00 O ATOM 0 H GLU A 9 14.419 -6.708 1.264 1.00 0.00 H new ATOM 0 HA GLU A 9 15.813 -4.568 2.491 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.019 -6.180 1.211 1.00 0.00 H new ATOM 0 HB3 GLU A 9 15.962 -5.999 -0.175 1.00 0.00 H new ATOM 0 HG2 GLU A 9 16.824 -3.702 -0.535 1.00 0.00 H new ATOM 0 HG3 GLU A 9 17.881 -3.881 0.852 1.00 0.00 H new ATOM 131 N ASP A 10 13.930 -3.819 -0.104 1.00 0.00 N ATOM 132 CA ASP A 10 13.278 -2.739 -0.833 1.00 0.00 C ATOM 133 C ASP A 10 12.497 -1.814 0.090 1.00 0.00 C ATOM 134 O ASP A 10 12.699 -0.600 0.099 1.00 0.00 O ATOM 135 CB ASP A 10 12.306 -3.357 -1.822 1.00 0.00 C ATOM 136 CG ASP A 10 13.007 -4.041 -2.980 1.00 0.00 C ATOM 137 OD1 ASP A 10 13.762 -5.004 -2.733 1.00 0.00 O ATOM 138 OD2 ASP A 10 12.800 -3.612 -4.133 1.00 0.00 O ATOM 0 H ASP A 10 13.686 -4.751 -0.439 1.00 0.00 H new ATOM 0 HA ASP A 10 14.048 -2.149 -1.330 1.00 0.00 H new ATOM 0 HB2 ASP A 10 11.678 -4.081 -1.304 1.00 0.00 H new ATOM 0 HB3 ASP A 10 11.645 -2.581 -2.209 1.00 0.00 H new ATOM 143 N ILE A 11 11.606 -2.414 0.863 1.00 0.00 N ATOM 144 CA ILE A 11 10.758 -1.680 1.789 1.00 0.00 C ATOM 145 C ILE A 11 11.578 -0.861 2.773 1.00 0.00 C ATOM 146 O ILE A 11 11.371 0.339 2.903 1.00 0.00 O ATOM 147 CB ILE A 11 9.860 -2.653 2.564 1.00 0.00 C ATOM 148 CG1 ILE A 11 9.035 -3.512 1.607 1.00 0.00 C ATOM 149 CG2 ILE A 11 8.947 -1.891 3.510 1.00 0.00 C ATOM 150 CD1 ILE A 11 8.710 -4.880 2.160 1.00 0.00 C ATOM 0 H ILE A 11 11.450 -3.422 0.866 1.00 0.00 H new ATOM 0 HA ILE A 11 10.146 -0.996 1.201 1.00 0.00 H new ATOM 0 HB ILE A 11 10.499 -3.313 3.150 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.106 -2.992 1.373 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.581 -3.627 0.671 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.316 -2.595 4.053 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.550 -1.323 4.219 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.319 -1.208 2.938 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.123 -5.437 1.430 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.635 -5.417 2.368 1.00 0.00 H new ATOM 0 HD13 ILE A 11 8.137 -4.773 3.081 1.00 0.00 H new ATOM 162 N LYS A 12 12.509 -1.506 3.461 1.00 0.00 N ATOM 163 CA LYS A 12 13.344 -0.811 4.431 1.00 0.00 C ATOM 164 C LYS A 12 14.011 0.405 3.797 1.00 0.00 C ATOM 165 O LYS A 12 13.935 1.518 4.325 1.00 0.00 O ATOM 166 CB LYS A 12 14.403 -1.758 5.002 1.00 0.00 C ATOM 167 CG LYS A 12 15.162 -1.182 6.185 1.00 0.00 C ATOM 168 CD LYS A 12 16.416 -0.449 5.742 1.00 0.00 C ATOM 169 CE LYS A 12 17.530 -1.427 5.415 1.00 0.00 C ATOM 170 NZ LYS A 12 18.044 -2.113 6.634 1.00 0.00 N ATOM 0 H LYS A 12 12.705 -2.503 3.367 1.00 0.00 H new ATOM 0 HA LYS A 12 12.706 -0.468 5.245 1.00 0.00 H new ATOM 0 HB2 LYS A 12 13.921 -2.686 5.308 1.00 0.00 H new ATOM 0 HB3 LYS A 12 15.113 -2.012 4.215 1.00 0.00 H new ATOM 0 HG2 LYS A 12 14.515 -0.498 6.735 1.00 0.00 H new ATOM 0 HG3 LYS A 12 15.432 -1.985 6.870 1.00 0.00 H new ATOM 0 HD2 LYS A 12 16.195 0.162 4.867 1.00 0.00 H new ATOM 0 HD3 LYS A 12 16.743 0.230 6.530 1.00 0.00 H new ATOM 0 HE2 LYS A 12 17.164 -2.171 4.707 1.00 0.00 H new ATOM 0 HE3 LYS A 12 18.347 -0.896 4.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 18.991 -2.498 6.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 18.099 -1.432 7.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 17.401 -2.888 6.893 1.00 0.00 H new ATOM 184 N LYS A 13 14.652 0.190 2.649 1.00 0.00 N ATOM 185 CA LYS A 13 15.340 1.267 1.945 1.00 0.00 C ATOM 186 C LYS A 13 14.357 2.313 1.433 1.00 0.00 C ATOM 187 O LYS A 13 14.507 3.502 1.705 1.00 0.00 O ATOM 188 CB LYS A 13 16.118 0.703 0.757 1.00 0.00 C ATOM 189 CG LYS A 13 17.045 -0.443 1.112 1.00 0.00 C ATOM 190 CD LYS A 13 17.281 -1.356 -0.080 1.00 0.00 C ATOM 191 CE LYS A 13 17.758 -0.584 -1.301 1.00 0.00 C ATOM 192 NZ LYS A 13 16.651 0.165 -1.958 1.00 0.00 N ATOM 0 H LYS A 13 14.708 -0.719 2.189 1.00 0.00 H new ATOM 0 HA LYS A 13 16.021 1.739 2.653 1.00 0.00 H new ATOM 0 HB2 LYS A 13 15.410 0.363 0.001 1.00 0.00 H new ATOM 0 HB3 LYS A 13 16.704 1.504 0.307 1.00 0.00 H new ATOM 0 HG2 LYS A 13 17.998 -0.047 1.463 1.00 0.00 H new ATOM 0 HG3 LYS A 13 16.617 -1.018 1.933 1.00 0.00 H new ATOM 0 HD2 LYS A 13 18.021 -2.112 0.183 1.00 0.00 H new ATOM 0 HD3 LYS A 13 16.358 -1.883 -0.322 1.00 0.00 H new ATOM 0 HE2 LYS A 13 18.541 0.114 -1.005 1.00 0.00 H new ATOM 0 HE3 LYS A 13 18.201 -1.276 -2.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 16.770 0.126 -2.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.740 -0.264 -1.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 16.669 1.156 -1.645 1.00 0.00 H new ATOM 206 N ALA A 14 13.337 1.857 0.718 1.00 0.00 N ATOM 207 CA ALA A 14 12.333 2.748 0.148 1.00 0.00 C ATOM 208 C ALA A 14 11.571 3.499 1.230 1.00 0.00 C ATOM 209 O ALA A 14 11.309 4.696 1.111 1.00 0.00 O ATOM 210 CB ALA A 14 11.374 1.953 -0.723 1.00 0.00 C ATOM 0 H ALA A 14 13.182 0.869 0.518 1.00 0.00 H new ATOM 0 HA ALA A 14 12.846 3.489 -0.464 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.626 2.623 -1.146 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.928 1.472 -1.529 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.879 1.192 -0.119 1.00 0.00 H new ATOM 216 N ILE A 15 11.220 2.782 2.285 1.00 0.00 N ATOM 217 CA ILE A 15 10.487 3.354 3.401 1.00 0.00 C ATOM 218 C ILE A 15 11.207 4.580 3.971 1.00 0.00 C ATOM 219 O ILE A 15 10.614 5.648 4.123 1.00 0.00 O ATOM 220 CB ILE A 15 10.274 2.276 4.495 1.00 0.00 C ATOM 221 CG1 ILE A 15 9.123 1.356 4.089 1.00 0.00 C ATOM 222 CG2 ILE A 15 10.018 2.876 5.875 1.00 0.00 C ATOM 223 CD1 ILE A 15 7.749 1.972 4.296 1.00 0.00 C ATOM 0 H ILE A 15 11.435 1.791 2.391 1.00 0.00 H new ATOM 0 HA ILE A 15 9.514 3.689 3.042 1.00 0.00 H new ATOM 0 HB ILE A 15 11.198 1.703 4.574 1.00 0.00 H new ATOM 0 HG12 ILE A 15 9.237 1.087 3.039 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.188 0.432 4.663 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.876 2.074 6.600 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.872 3.486 6.171 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.123 3.497 5.841 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.982 1.262 3.986 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.614 2.215 5.350 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.664 2.881 3.700 1.00 0.00 H new ATOM 235 N GLY A 16 12.487 4.413 4.283 1.00 0.00 N ATOM 236 CA GLY A 16 13.257 5.505 4.861 1.00 0.00 C ATOM 237 C GLY A 16 14.058 6.321 3.853 1.00 0.00 C ATOM 238 O GLY A 16 14.694 7.305 4.228 1.00 0.00 O ATOM 0 H GLY A 16 13.006 3.546 4.148 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.576 6.172 5.389 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.942 5.096 5.603 1.00 0.00 H new ATOM 242 N ALA A 17 14.037 5.927 2.584 1.00 0.00 N ATOM 243 CA ALA A 17 14.801 6.643 1.560 1.00 0.00 C ATOM 244 C ALA A 17 14.075 7.876 1.025 1.00 0.00 C ATOM 245 O ALA A 17 14.718 8.838 0.607 1.00 0.00 O ATOM 246 CB ALA A 17 15.150 5.718 0.403 1.00 0.00 C ATOM 0 H ALA A 17 13.507 5.126 2.239 1.00 0.00 H new ATOM 0 HA ALA A 17 15.713 6.987 2.049 1.00 0.00 H new ATOM 0 HB1 ALA A 17 15.717 6.270 -0.346 1.00 0.00 H new ATOM 0 HB2 ALA A 17 15.749 4.885 0.771 1.00 0.00 H new ATOM 0 HB3 ALA A 17 14.234 5.335 -0.046 1.00 0.00 H new ATOM 252 N PHE A 18 12.744 7.860 1.031 1.00 0.00 N ATOM 253 CA PHE A 18 11.985 8.992 0.504 1.00 0.00 C ATOM 254 C PHE A 18 11.136 9.664 1.577 1.00 0.00 C ATOM 255 O PHE A 18 10.272 9.033 2.188 1.00 0.00 O ATOM 256 CB PHE A 18 11.068 8.551 -0.640 1.00 0.00 C ATOM 257 CG PHE A 18 11.442 7.244 -1.276 1.00 0.00 C ATOM 258 CD1 PHE A 18 12.760 6.958 -1.591 1.00 0.00 C ATOM 259 CD2 PHE A 18 10.468 6.302 -1.552 1.00 0.00 C ATOM 260 CE1 PHE A 18 13.098 5.751 -2.166 1.00 0.00 C ATOM 261 CE2 PHE A 18 10.799 5.092 -2.124 1.00 0.00 C ATOM 262 CZ PHE A 18 12.117 4.817 -2.436 1.00 0.00 C ATOM 0 H PHE A 18 12.177 7.091 1.388 1.00 0.00 H new ATOM 0 HA PHE A 18 12.719 9.710 0.138 1.00 0.00 H new ATOM 0 HB2 PHE A 18 10.048 8.477 -0.262 1.00 0.00 H new ATOM 0 HB3 PHE A 18 11.068 9.326 -1.407 1.00 0.00 H new ATOM 0 HD1 PHE A 18 13.530 7.687 -1.384 1.00 0.00 H new ATOM 0 HD2 PHE A 18 9.436 6.517 -1.317 1.00 0.00 H new ATOM 0 HE1 PHE A 18 14.129 5.536 -2.405 1.00 0.00 H new ATOM 0 HE2 PHE A 18 10.030 4.361 -2.328 1.00 0.00 H new ATOM 0 HZ PHE A 18 12.379 3.873 -2.890 1.00 0.00 H new ATOM 272 N THR A 19 11.392 10.947 1.802 1.00 0.00 N ATOM 273 CA THR A 19 10.629 11.717 2.773 1.00 0.00 C ATOM 274 C THR A 19 9.444 12.399 2.092 1.00 0.00 C ATOM 275 O THR A 19 8.383 12.569 2.688 1.00 0.00 O ATOM 276 CB THR A 19 11.499 12.786 3.461 1.00 0.00 C ATOM 277 OG1 THR A 19 10.728 13.487 4.444 1.00 0.00 O ATOM 278 CG2 THR A 19 12.049 13.776 2.444 1.00 0.00 C ATOM 0 H THR A 19 12.122 11.475 1.325 1.00 0.00 H new ATOM 0 HA THR A 19 10.272 11.021 3.532 1.00 0.00 H new ATOM 0 HB THR A 19 12.336 12.283 3.945 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.289 14.164 4.878 1.00 0.00 H new ATOM 0 HG21 THR A 19 12.660 14.521 2.955 1.00 0.00 H new ATOM 0 HG22 THR A 19 12.659 13.245 1.713 1.00 0.00 H new ATOM 0 HG23 THR A 19 11.222 14.272 1.935 1.00 0.00 H new ATOM 286 N ALA A 20 9.660 12.798 0.838 1.00 0.00 N ATOM 287 CA ALA A 20 8.650 13.471 0.032 1.00 0.00 C ATOM 288 C ALA A 20 7.931 12.499 -0.907 1.00 0.00 C ATOM 289 O ALA A 20 6.707 12.526 -1.022 1.00 0.00 O ATOM 290 CB ALA A 20 9.293 14.591 -0.772 1.00 0.00 C ATOM 0 H ALA A 20 10.547 12.661 0.353 1.00 0.00 H new ATOM 0 HA ALA A 20 7.905 13.887 0.711 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.533 15.090 -1.373 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.749 15.311 -0.093 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.058 14.175 -1.428 1.00 0.00 H new ATOM 296 N ALA A 21 8.702 11.641 -1.584 1.00 0.00 N ATOM 297 CA ALA A 21 8.137 10.675 -2.530 1.00 0.00 C ATOM 298 C ALA A 21 6.889 10.005 -1.969 1.00 0.00 C ATOM 299 O ALA A 21 5.783 10.204 -2.471 1.00 0.00 O ATOM 300 CB ALA A 21 9.176 9.628 -2.899 1.00 0.00 C ATOM 0 H ALA A 21 9.717 11.596 -1.494 1.00 0.00 H new ATOM 0 HA ALA A 21 7.846 11.221 -3.427 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.742 8.917 -3.602 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.036 10.115 -3.359 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.496 9.100 -2.000 1.00 0.00 H new ATOM 306 N ASP A 22 7.076 9.212 -0.926 1.00 0.00 N ATOM 307 CA ASP A 22 5.958 8.541 -0.276 1.00 0.00 C ATOM 308 C ASP A 22 4.991 9.577 0.295 1.00 0.00 C ATOM 309 O ASP A 22 3.829 9.279 0.570 1.00 0.00 O ATOM 310 CB ASP A 22 6.467 7.621 0.842 1.00 0.00 C ATOM 311 CG ASP A 22 5.347 7.056 1.697 1.00 0.00 C ATOM 312 OD1 ASP A 22 4.875 7.772 2.606 1.00 0.00 O ATOM 313 OD2 ASP A 22 4.942 5.900 1.461 1.00 0.00 O ATOM 0 H ASP A 22 7.987 9.017 -0.511 1.00 0.00 H new ATOM 0 HA ASP A 22 5.434 7.934 -1.014 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.031 6.799 0.401 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.157 8.176 1.477 1.00 0.00 H new ATOM 318 N SER A 23 5.490 10.799 0.463 1.00 0.00 N ATOM 319 CA SER A 23 4.705 11.890 1.000 1.00 0.00 C ATOM 320 C SER A 23 3.661 12.379 -0.002 1.00 0.00 C ATOM 321 O SER A 23 2.467 12.406 0.296 1.00 0.00 O ATOM 322 CB SER A 23 5.647 13.036 1.368 1.00 0.00 C ATOM 323 OG SER A 23 5.304 13.602 2.622 1.00 0.00 O ATOM 0 H SER A 23 6.450 11.053 0.229 1.00 0.00 H new ATOM 0 HA SER A 23 4.172 11.535 1.882 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.673 12.670 1.400 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.607 13.805 0.596 1.00 0.00 H new ATOM 0 HG SER A 23 5.924 14.331 2.832 1.00 0.00 H new ATOM 329 N PHE A 24 4.120 12.764 -1.191 1.00 0.00 N ATOM 330 CA PHE A 24 3.225 13.278 -2.226 1.00 0.00 C ATOM 331 C PHE A 24 2.794 12.202 -3.222 1.00 0.00 C ATOM 332 O PHE A 24 1.807 12.380 -3.934 1.00 0.00 O ATOM 333 CB PHE A 24 3.899 14.431 -2.971 1.00 0.00 C ATOM 334 CG PHE A 24 5.174 14.041 -3.661 1.00 0.00 C ATOM 335 CD1 PHE A 24 5.150 13.447 -4.913 1.00 0.00 C ATOM 336 CD2 PHE A 24 6.402 14.270 -3.057 1.00 0.00 C ATOM 337 CE1 PHE A 24 6.323 13.089 -5.549 1.00 0.00 C ATOM 338 CE2 PHE A 24 7.578 13.913 -3.689 1.00 0.00 C ATOM 339 CZ PHE A 24 7.538 13.324 -4.937 1.00 0.00 C ATOM 0 H PHE A 24 5.103 12.730 -1.461 1.00 0.00 H new ATOM 0 HA PHE A 24 2.325 13.630 -1.723 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.204 14.830 -3.710 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.110 15.234 -2.265 1.00 0.00 H new ATOM 0 HD1 PHE A 24 4.203 13.262 -5.397 1.00 0.00 H new ATOM 0 HD2 PHE A 24 6.439 14.733 -2.082 1.00 0.00 H new ATOM 0 HE1 PHE A 24 6.290 12.626 -6.524 1.00 0.00 H new ATOM 0 HE2 PHE A 24 8.527 14.095 -3.207 1.00 0.00 H new ATOM 0 HZ PHE A 24 8.456 13.047 -5.434 1.00 0.00 H new ATOM 349 N ASP A 25 3.525 11.093 -3.287 1.00 0.00 N ATOM 350 CA ASP A 25 3.169 10.028 -4.223 1.00 0.00 C ATOM 351 C ASP A 25 3.864 8.711 -3.891 1.00 0.00 C ATOM 352 O ASP A 25 5.012 8.487 -4.273 1.00 0.00 O ATOM 353 CB ASP A 25 3.512 10.452 -5.652 1.00 0.00 C ATOM 354 CG ASP A 25 2.882 9.545 -6.691 1.00 0.00 C ATOM 355 OD1 ASP A 25 1.715 9.144 -6.500 1.00 0.00 O ATOM 356 OD2 ASP A 25 3.555 9.238 -7.697 1.00 0.00 O ATOM 0 H ASP A 25 4.350 10.909 -2.717 1.00 0.00 H new ATOM 0 HA ASP A 25 2.095 9.862 -4.134 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.175 11.476 -5.815 1.00 0.00 H new ATOM 0 HB3 ASP A 25 4.595 10.449 -5.779 1.00 0.00 H new ATOM 361 N HIS A 26 3.152 7.847 -3.174 1.00 0.00 N ATOM 362 CA HIS A 26 3.675 6.538 -2.794 1.00 0.00 C ATOM 363 C HIS A 26 3.761 5.618 -4.012 1.00 0.00 C ATOM 364 O HIS A 26 4.540 4.682 -4.017 1.00 0.00 O ATOM 365 CB HIS A 26 2.804 5.951 -1.665 1.00 0.00 C ATOM 366 CG HIS A 26 2.892 4.464 -1.425 1.00 0.00 C ATOM 367 ND1 HIS A 26 3.888 3.649 -1.917 1.00 0.00 N ATOM 368 CD2 HIS A 26 2.089 3.654 -0.690 1.00 0.00 C ATOM 369 CE1 HIS A 26 3.696 2.412 -1.499 1.00 0.00 C ATOM 370 NE2 HIS A 26 2.612 2.388 -0.753 1.00 0.00 N ATOM 0 H HIS A 26 2.205 8.031 -2.842 1.00 0.00 H new ATOM 0 HA HIS A 26 4.691 6.639 -2.413 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.068 6.459 -0.737 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.764 6.197 -1.879 1.00 0.00 H new ATOM 0 HD1 HIS A 26 4.657 3.955 -2.513 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.200 3.952 -0.153 1.00 0.00 H new ATOM 0 HE1 HIS A 26 4.322 1.563 -1.730 1.00 0.00 H new ATOM 379 N LYS A 27 3.013 5.922 -5.082 1.00 0.00 N ATOM 380 CA LYS A 27 3.044 5.103 -6.290 1.00 0.00 C ATOM 381 C LYS A 27 4.479 4.768 -6.666 1.00 0.00 C ATOM 382 O LYS A 27 4.812 3.613 -6.907 1.00 0.00 O ATOM 383 CB LYS A 27 2.370 5.838 -7.442 1.00 0.00 C ATOM 384 CG LYS A 27 0.858 5.787 -7.402 1.00 0.00 C ATOM 385 CD LYS A 27 0.342 4.734 -8.355 1.00 0.00 C ATOM 386 CE LYS A 27 0.397 5.207 -9.800 1.00 0.00 C ATOM 387 NZ LYS A 27 -0.409 6.439 -10.016 1.00 0.00 N ATOM 0 H LYS A 27 2.385 6.724 -5.131 1.00 0.00 H new ATOM 0 HA LYS A 27 2.504 4.177 -6.092 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.689 6.880 -7.431 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.713 5.410 -8.384 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.522 5.566 -6.389 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.448 6.761 -7.669 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.933 3.825 -8.247 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.685 4.479 -8.094 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.433 5.398 -10.079 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.031 4.416 -10.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.641 6.529 -11.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.287 6.381 -9.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.138 7.269 -9.711 1.00 0.00 H new ATOM 401 N LYS A 28 5.332 5.779 -6.706 1.00 0.00 N ATOM 402 CA LYS A 28 6.733 5.543 -7.007 1.00 0.00 C ATOM 403 C LYS A 28 7.297 4.620 -5.939 1.00 0.00 C ATOM 404 O LYS A 28 7.916 3.596 -6.235 1.00 0.00 O ATOM 405 CB LYS A 28 7.519 6.853 -7.021 1.00 0.00 C ATOM 406 CG LYS A 28 7.422 7.636 -8.324 1.00 0.00 C ATOM 407 CD LYS A 28 5.995 8.064 -8.629 1.00 0.00 C ATOM 408 CE LYS A 28 5.275 7.042 -9.498 1.00 0.00 C ATOM 409 NZ LYS A 28 3.908 7.496 -9.872 1.00 0.00 N ATOM 0 H LYS A 28 5.084 6.754 -6.537 1.00 0.00 H new ATOM 0 HA LYS A 28 6.820 5.090 -7.995 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.164 7.484 -6.206 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.568 6.634 -6.821 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.060 8.518 -8.265 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.799 7.024 -9.143 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.448 8.198 -7.696 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.005 9.030 -9.135 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.857 6.860 -10.402 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.209 6.094 -8.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.293 6.669 -10.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.521 8.092 -9.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.954 8.045 -10.754 1.00 0.00 H new ATOM 423 N PHE A 29 7.056 4.995 -4.686 1.00 0.00 N ATOM 424 CA PHE A 29 7.494 4.202 -3.552 1.00 0.00 C ATOM 425 C PHE A 29 6.974 2.771 -3.701 1.00 0.00 C ATOM 426 O PHE A 29 7.582 1.819 -3.215 1.00 0.00 O ATOM 427 CB PHE A 29 7.009 4.856 -2.246 1.00 0.00 C ATOM 428 CG PHE A 29 7.013 3.946 -1.049 1.00 0.00 C ATOM 429 CD1 PHE A 29 8.055 3.060 -0.834 1.00 0.00 C ATOM 430 CD2 PHE A 29 5.968 3.979 -0.146 1.00 0.00 C ATOM 431 CE1 PHE A 29 8.052 2.225 0.267 1.00 0.00 C ATOM 432 CE2 PHE A 29 5.957 3.146 0.957 1.00 0.00 C ATOM 433 CZ PHE A 29 7.000 2.266 1.162 1.00 0.00 C ATOM 0 H PHE A 29 6.557 5.848 -4.434 1.00 0.00 H new ATOM 0 HA PHE A 29 8.583 4.161 -3.518 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.640 5.719 -2.032 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.997 5.231 -2.397 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.877 3.021 -1.533 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.149 4.665 -0.304 1.00 0.00 H new ATOM 0 HE1 PHE A 29 8.872 1.540 0.428 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.135 3.184 1.656 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.994 1.611 2.020 1.00 0.00 H new ATOM 443 N PHE A 30 5.836 2.640 -4.381 1.00 0.00 N ATOM 444 CA PHE A 30 5.234 1.342 -4.639 1.00 0.00 C ATOM 445 C PHE A 30 6.157 0.498 -5.509 1.00 0.00 C ATOM 446 O PHE A 30 6.117 -0.731 -5.473 1.00 0.00 O ATOM 447 CB PHE A 30 3.886 1.518 -5.341 1.00 0.00 C ATOM 448 CG PHE A 30 2.738 0.851 -4.637 1.00 0.00 C ATOM 449 CD1 PHE A 30 2.394 -0.455 -4.929 1.00 0.00 C ATOM 450 CD2 PHE A 30 1.999 1.538 -3.689 1.00 0.00 C ATOM 451 CE1 PHE A 30 1.333 -1.068 -4.287 1.00 0.00 C ATOM 452 CE2 PHE A 30 0.939 0.932 -3.041 1.00 0.00 C ATOM 453 CZ PHE A 30 0.607 -0.373 -3.341 1.00 0.00 C ATOM 0 H PHE A 30 5.312 3.427 -4.764 1.00 0.00 H new ATOM 0 HA PHE A 30 5.079 0.835 -3.687 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.673 2.583 -5.434 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.960 1.119 -6.352 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.960 -1.004 -5.667 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.254 2.561 -3.453 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.073 -2.089 -4.526 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.372 1.479 -2.302 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.220 -0.850 -2.836 1.00 0.00 H new ATOM 463 N GLN A 31 6.979 1.175 -6.307 1.00 0.00 N ATOM 464 CA GLN A 31 7.913 0.496 -7.191 1.00 0.00 C ATOM 465 C GLN A 31 9.209 0.142 -6.469 1.00 0.00 C ATOM 466 O GLN A 31 9.746 -0.956 -6.630 1.00 0.00 O ATOM 467 CB GLN A 31 8.217 1.356 -8.414 1.00 0.00 C ATOM 468 CG GLN A 31 6.980 1.913 -9.088 1.00 0.00 C ATOM 469 CD GLN A 31 7.294 2.628 -10.387 1.00 0.00 C ATOM 470 OE1 GLN A 31 8.250 2.285 -11.082 1.00 0.00 O ATOM 471 NE2 GLN A 31 6.488 3.628 -10.720 1.00 0.00 N ATOM 0 H GLN A 31 7.015 2.193 -6.357 1.00 0.00 H new ATOM 0 HA GLN A 31 7.441 -0.431 -7.516 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.861 2.183 -8.115 1.00 0.00 H new ATOM 0 HB3 GLN A 31 8.777 0.761 -9.136 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.281 1.100 -9.285 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.481 2.604 -8.409 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.707 3.878 -10.113 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.649 4.147 -11.583 1.00 0.00 H new ATOM 480 N MET A 32 9.701 1.079 -5.672 1.00 0.00 N ATOM 481 CA MET A 32 10.947 0.892 -4.929 1.00 0.00 C ATOM 482 C MET A 32 10.769 -0.136 -3.834 1.00 0.00 C ATOM 483 O MET A 32 11.679 -0.903 -3.527 1.00 0.00 O ATOM 484 CB MET A 32 11.394 2.210 -4.312 1.00 0.00 C ATOM 485 CG MET A 32 11.040 3.419 -5.153 1.00 0.00 C ATOM 486 SD MET A 32 11.411 3.187 -6.910 1.00 0.00 S ATOM 487 CE MET A 32 10.415 4.473 -7.660 1.00 0.00 C ATOM 0 H MET A 32 9.256 1.984 -5.520 1.00 0.00 H new ATOM 0 HA MET A 32 11.706 0.539 -5.627 1.00 0.00 H new ATOM 0 HB2 MET A 32 10.938 2.315 -3.328 1.00 0.00 H new ATOM 0 HB3 MET A 32 12.473 2.185 -4.162 1.00 0.00 H new ATOM 0 HG2 MET A 32 9.979 3.638 -5.037 1.00 0.00 H new ATOM 0 HG3 MET A 32 11.587 4.286 -4.783 1.00 0.00 H new ATOM 0 HE1 MET A 32 9.709 4.025 -8.359 1.00 0.00 H new ATOM 0 HE2 MET A 32 9.867 5.008 -6.884 1.00 0.00 H new ATOM 0 HE3 MET A 32 11.062 5.169 -8.194 1.00 0.00 H new ATOM 497 N VAL A 33 9.583 -0.131 -3.250 1.00 0.00 N ATOM 498 CA VAL A 33 9.236 -1.041 -2.171 1.00 0.00 C ATOM 499 C VAL A 33 9.187 -2.485 -2.647 1.00 0.00 C ATOM 500 O VAL A 33 9.273 -3.417 -1.849 1.00 0.00 O ATOM 501 CB VAL A 33 7.873 -0.653 -1.586 1.00 0.00 C ATOM 502 CG1 VAL A 33 6.786 -0.836 -2.623 1.00 0.00 C ATOM 503 CG2 VAL A 33 7.553 -1.451 -0.349 1.00 0.00 C ATOM 0 H VAL A 33 8.831 0.506 -3.511 1.00 0.00 H new ATOM 0 HA VAL A 33 10.010 -0.962 -1.407 1.00 0.00 H new ATOM 0 HB VAL A 33 7.921 0.398 -1.300 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.823 -0.557 -2.194 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.996 -0.204 -3.486 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.755 -1.879 -2.937 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.580 -1.149 0.037 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.531 -2.512 -0.596 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.316 -1.270 0.408 1.00 0.00 H new ATOM 513 N GLY A 34 9.038 -2.659 -3.952 1.00 0.00 N ATOM 514 CA GLY A 34 8.986 -3.989 -4.524 1.00 0.00 C ATOM 515 C GLY A 34 7.636 -4.649 -4.340 1.00 0.00 C ATOM 516 O GLY A 34 7.550 -5.871 -4.212 1.00 0.00 O ATOM 0 H GLY A 34 8.952 -1.900 -4.628 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.217 -3.932 -5.588 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.755 -4.609 -4.064 1.00 0.00 H new ATOM 520 N LEU A 35 6.578 -3.845 -4.333 1.00 0.00 N ATOM 521 CA LEU A 35 5.232 -4.372 -4.166 1.00 0.00 C ATOM 522 C LEU A 35 4.817 -5.138 -5.412 1.00 0.00 C ATOM 523 O LEU A 35 4.004 -6.055 -5.352 1.00 0.00 O ATOM 524 CB LEU A 35 4.241 -3.241 -3.880 1.00 0.00 C ATOM 525 CG LEU A 35 4.110 -2.862 -2.407 1.00 0.00 C ATOM 526 CD1 LEU A 35 3.791 -1.385 -2.263 1.00 0.00 C ATOM 527 CD2 LEU A 35 3.025 -3.696 -1.760 1.00 0.00 C ATOM 0 H LEU A 35 6.627 -2.832 -4.441 1.00 0.00 H new ATOM 0 HA LEU A 35 5.227 -5.052 -3.314 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.546 -2.358 -4.442 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.260 -3.533 -4.254 1.00 0.00 H new ATOM 0 HG LEU A 35 5.059 -3.058 -1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.701 -1.133 -1.206 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.591 -0.795 -2.710 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.851 -1.165 -2.769 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.934 -3.423 -0.709 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.076 -3.514 -2.265 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.282 -4.752 -1.839 1.00 0.00 H new ATOM 539 N LYS A 36 5.388 -4.758 -6.547 1.00 0.00 N ATOM 540 CA LYS A 36 5.094 -5.411 -7.798 1.00 0.00 C ATOM 541 C LYS A 36 6.131 -6.508 -8.082 1.00 0.00 C ATOM 542 O LYS A 36 6.008 -7.252 -9.056 1.00 0.00 O ATOM 543 CB LYS A 36 5.112 -4.376 -8.921 1.00 0.00 C ATOM 544 CG LYS A 36 4.551 -3.008 -8.532 1.00 0.00 C ATOM 545 CD LYS A 36 5.240 -1.882 -9.299 1.00 0.00 C ATOM 546 CE LYS A 36 6.760 -1.973 -9.213 1.00 0.00 C ATOM 547 NZ LYS A 36 7.228 -2.538 -7.912 1.00 0.00 N ATOM 0 H LYS A 36 6.061 -3.995 -6.618 1.00 0.00 H new ATOM 0 HA LYS A 36 4.108 -5.872 -7.740 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.139 -4.249 -9.265 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.539 -4.763 -9.764 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.480 -2.983 -8.731 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.680 -2.852 -7.461 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.934 -1.917 -10.345 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.912 -0.921 -8.903 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.130 -2.594 -10.029 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.188 -0.980 -9.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.194 -2.205 -7.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.593 -2.226 -7.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.223 -3.577 -7.963 1.00 0.00 H new ATOM 561 N LYS A 37 7.156 -6.608 -7.219 1.00 0.00 N ATOM 562 CA LYS A 37 8.217 -7.597 -7.381 1.00 0.00 C ATOM 563 C LYS A 37 7.665 -8.967 -7.765 1.00 0.00 C ATOM 564 O LYS A 37 7.744 -9.370 -8.926 1.00 0.00 O ATOM 565 CB LYS A 37 9.046 -7.702 -6.095 1.00 0.00 C ATOM 566 CG LYS A 37 10.233 -8.646 -6.214 1.00 0.00 C ATOM 567 CD LYS A 37 11.008 -8.740 -4.910 1.00 0.00 C ATOM 568 CE LYS A 37 12.227 -9.640 -5.048 1.00 0.00 C ATOM 569 NZ LYS A 37 11.850 -11.040 -5.390 1.00 0.00 N ATOM 0 H LYS A 37 7.266 -6.009 -6.400 1.00 0.00 H new ATOM 0 HA LYS A 37 8.857 -7.260 -8.196 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.407 -6.710 -5.822 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.402 -8.041 -5.284 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.882 -9.637 -6.502 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.896 -8.300 -7.007 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.324 -7.744 -4.601 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.357 -9.126 -4.126 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.886 -9.243 -5.820 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.790 -9.634 -4.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.564 -11.694 -5.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.923 -11.261 -4.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.799 -11.143 -6.424 1.00 0.00 H new ATOM 583 N LYS A 38 7.106 -9.677 -6.794 1.00 0.00 N ATOM 584 CA LYS A 38 6.557 -11.003 -7.050 1.00 0.00 C ATOM 585 C LYS A 38 5.219 -10.907 -7.791 1.00 0.00 C ATOM 586 O LYS A 38 5.196 -10.774 -9.015 1.00 0.00 O ATOM 587 CB LYS A 38 6.404 -11.782 -5.737 1.00 0.00 C ATOM 588 CG LYS A 38 7.712 -12.016 -5.003 1.00 0.00 C ATOM 589 CD LYS A 38 7.453 -12.483 -3.583 1.00 0.00 C ATOM 590 CE LYS A 38 8.685 -12.327 -2.707 1.00 0.00 C ATOM 591 NZ LYS A 38 9.821 -13.159 -3.192 1.00 0.00 N ATOM 0 H LYS A 38 7.021 -9.360 -5.828 1.00 0.00 H new ATOM 0 HA LYS A 38 7.253 -11.545 -7.690 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.723 -11.239 -5.081 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.941 -12.746 -5.950 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.305 -12.761 -5.534 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.296 -11.096 -4.988 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.628 -11.912 -3.157 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.144 -13.528 -3.594 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.985 -11.279 -2.686 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.440 -12.609 -1.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.636 -13.037 -2.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.538 -14.160 -3.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.083 -12.862 -4.154 1.00 0.00 H new ATOM 605 N SER A 39 4.106 -10.972 -7.060 1.00 0.00 N ATOM 606 CA SER A 39 2.787 -10.888 -7.674 1.00 0.00 C ATOM 607 C SER A 39 1.807 -10.176 -6.749 1.00 0.00 C ATOM 608 O SER A 39 2.093 -9.965 -5.570 1.00 0.00 O ATOM 609 CB SER A 39 2.265 -12.287 -8.010 1.00 0.00 C ATOM 610 OG SER A 39 2.140 -13.078 -6.841 1.00 0.00 O ATOM 0 H SER A 39 4.094 -11.082 -6.046 1.00 0.00 H new ATOM 0 HA SER A 39 2.877 -10.313 -8.596 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.297 -12.208 -8.505 1.00 0.00 H new ATOM 0 HB3 SER A 39 2.943 -12.773 -8.711 1.00 0.00 H new ATOM 0 HG SER A 39 1.803 -13.966 -7.082 1.00 0.00 H new ATOM 616 N ALA A 40 0.651 -9.812 -7.287 1.00 0.00 N ATOM 617 CA ALA A 40 -0.375 -9.133 -6.508 1.00 0.00 C ATOM 618 C ALA A 40 -0.852 -10.013 -5.355 1.00 0.00 C ATOM 619 O ALA A 40 -1.409 -9.518 -4.376 1.00 0.00 O ATOM 620 CB ALA A 40 -1.536 -8.764 -7.410 1.00 0.00 C ATOM 0 H ALA A 40 0.400 -9.976 -8.262 1.00 0.00 H new ATOM 0 HA ALA A 40 0.050 -8.224 -6.082 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.303 -8.256 -6.826 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.185 -8.102 -8.202 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.955 -9.668 -7.852 1.00 0.00 H new ATOM 626 N ASP A 41 -0.637 -11.321 -5.476 1.00 0.00 N ATOM 627 CA ASP A 41 -1.038 -12.254 -4.427 1.00 0.00 C ATOM 628 C ASP A 41 -0.135 -12.092 -3.209 1.00 0.00 C ATOM 629 O ASP A 41 -0.612 -11.926 -2.085 1.00 0.00 O ATOM 630 CB ASP A 41 -0.984 -13.696 -4.941 1.00 0.00 C ATOM 631 CG ASP A 41 -1.911 -13.931 -6.119 1.00 0.00 C ATOM 632 OD1 ASP A 41 -1.469 -13.740 -7.271 1.00 0.00 O ATOM 633 OD2 ASP A 41 -3.081 -14.306 -5.888 1.00 0.00 O ATOM 0 H ASP A 41 -0.191 -11.756 -6.284 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.065 -12.031 -4.137 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.038 -13.935 -5.235 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.251 -14.376 -4.132 1.00 0.00 H new ATOM 638 N ASP A 42 1.176 -12.137 -3.440 1.00 0.00 N ATOM 639 CA ASP A 42 2.149 -11.982 -2.364 1.00 0.00 C ATOM 640 C ASP A 42 1.851 -10.720 -1.562 1.00 0.00 C ATOM 641 O ASP A 42 1.852 -10.738 -0.334 1.00 0.00 O ATOM 642 CB ASP A 42 3.567 -11.913 -2.937 1.00 0.00 C ATOM 643 CG ASP A 42 4.616 -11.719 -1.861 1.00 0.00 C ATOM 644 OD1 ASP A 42 5.084 -12.733 -1.297 1.00 0.00 O ATOM 645 OD2 ASP A 42 4.970 -10.555 -1.582 1.00 0.00 O ATOM 0 H ASP A 42 1.587 -12.280 -4.363 1.00 0.00 H new ATOM 0 HA ASP A 42 2.077 -12.846 -1.704 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.779 -12.830 -3.486 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.628 -11.092 -3.652 1.00 0.00 H new ATOM 650 N VAL A 43 1.597 -9.628 -2.273 1.00 0.00 N ATOM 651 CA VAL A 43 1.285 -8.354 -1.638 1.00 0.00 C ATOM 652 C VAL A 43 -0.098 -8.397 -1.003 1.00 0.00 C ATOM 653 O VAL A 43 -0.302 -7.910 0.106 1.00 0.00 O ATOM 654 CB VAL A 43 1.346 -7.200 -2.656 1.00 0.00 C ATOM 655 CG1 VAL A 43 2.715 -7.157 -3.311 1.00 0.00 C ATOM 656 CG2 VAL A 43 0.254 -7.356 -3.704 1.00 0.00 C ATOM 0 H VAL A 43 1.601 -9.600 -3.293 1.00 0.00 H new ATOM 0 HA VAL A 43 2.031 -8.179 -0.863 1.00 0.00 H new ATOM 0 HB VAL A 43 1.181 -6.259 -2.131 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.749 -6.338 -4.029 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.478 -7.003 -2.548 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.902 -8.099 -3.826 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.312 -6.532 -4.415 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.388 -8.301 -4.231 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.721 -7.347 -3.217 1.00 0.00 H new ATOM 666 N LYS A 44 -1.040 -9.001 -1.716 1.00 0.00 N ATOM 667 CA LYS A 44 -2.404 -9.125 -1.248 1.00 0.00 C ATOM 668 C LYS A 44 -2.441 -9.766 0.133 1.00 0.00 C ATOM 669 O LYS A 44 -3.355 -9.534 0.911 1.00 0.00 O ATOM 670 CB LYS A 44 -3.216 -9.940 -2.246 1.00 0.00 C ATOM 671 CG LYS A 44 -4.653 -10.162 -1.817 1.00 0.00 C ATOM 672 CD LYS A 44 -5.113 -11.572 -2.118 1.00 0.00 C ATOM 673 CE LYS A 44 -4.492 -12.575 -1.160 1.00 0.00 C ATOM 674 NZ LYS A 44 -4.795 -13.978 -1.555 1.00 0.00 N ATOM 0 H LYS A 44 -0.875 -9.416 -2.633 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.844 -8.131 -1.166 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.207 -9.432 -3.210 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.735 -10.907 -2.391 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.748 -9.968 -0.749 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.300 -9.450 -2.329 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.199 -11.624 -2.048 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.847 -11.832 -3.142 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.412 -12.430 -1.132 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.864 -12.393 -0.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.354 -14.632 -0.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.825 -14.123 -1.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.418 -14.160 -2.507 1.00 0.00 H new ATOM 688 N LYS A 45 -1.447 -10.595 0.423 1.00 0.00 N ATOM 689 CA LYS A 45 -1.381 -11.283 1.703 1.00 0.00 C ATOM 690 C LYS A 45 -1.363 -10.279 2.846 1.00 0.00 C ATOM 691 O LYS A 45 -2.101 -10.424 3.822 1.00 0.00 O ATOM 692 CB LYS A 45 -0.145 -12.182 1.766 1.00 0.00 C ATOM 693 CG LYS A 45 -0.435 -13.647 1.479 1.00 0.00 C ATOM 694 CD LYS A 45 -0.974 -13.849 0.071 1.00 0.00 C ATOM 695 CE LYS A 45 -1.294 -15.312 -0.200 1.00 0.00 C ATOM 696 NZ LYS A 45 -2.322 -15.841 0.737 1.00 0.00 N ATOM 0 H LYS A 45 -0.676 -10.806 -0.211 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.269 -11.908 1.803 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.592 -11.820 1.049 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.304 -12.097 2.756 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.477 -14.230 1.607 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.158 -14.023 2.203 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.873 -13.248 -0.065 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.241 -13.495 -0.654 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.647 -15.422 -1.225 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.384 -15.905 -0.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.683 -16.749 0.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.896 -15.983 1.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.106 -15.162 0.811 1.00 0.00 H new ATOM 710 N VAL A 46 -0.528 -9.250 2.718 1.00 0.00 N ATOM 711 CA VAL A 46 -0.442 -8.224 3.749 1.00 0.00 C ATOM 712 C VAL A 46 -1.833 -7.675 4.050 1.00 0.00 C ATOM 713 O VAL A 46 -2.109 -7.205 5.154 1.00 0.00 O ATOM 714 CB VAL A 46 0.508 -7.064 3.343 1.00 0.00 C ATOM 715 CG1 VAL A 46 -0.164 -6.093 2.380 1.00 0.00 C ATOM 716 CG2 VAL A 46 0.997 -6.332 4.583 1.00 0.00 C ATOM 0 H VAL A 46 0.091 -9.107 1.920 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.026 -8.690 4.642 1.00 0.00 H new ATOM 0 HB VAL A 46 1.362 -7.498 2.823 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.534 -5.297 2.121 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.461 -6.624 1.476 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.046 -5.663 2.854 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.662 -5.521 4.288 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.144 -5.923 5.124 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.536 -7.027 5.227 1.00 0.00 H new ATOM 726 N PHE A 47 -2.710 -7.748 3.048 1.00 0.00 N ATOM 727 CA PHE A 47 -4.071 -7.258 3.180 1.00 0.00 C ATOM 728 C PHE A 47 -4.705 -7.723 4.475 1.00 0.00 C ATOM 729 O PHE A 47 -5.244 -6.927 5.223 1.00 0.00 O ATOM 730 CB PHE A 47 -4.932 -7.738 2.029 1.00 0.00 C ATOM 731 CG PHE A 47 -6.326 -7.184 2.051 1.00 0.00 C ATOM 732 CD1 PHE A 47 -6.539 -5.818 2.087 1.00 0.00 C ATOM 733 CD2 PHE A 47 -7.422 -8.032 2.037 1.00 0.00 C ATOM 734 CE1 PHE A 47 -7.822 -5.304 2.109 1.00 0.00 C ATOM 735 CE2 PHE A 47 -8.706 -7.524 2.059 1.00 0.00 C ATOM 736 CZ PHE A 47 -8.906 -6.158 2.095 1.00 0.00 C ATOM 0 H PHE A 47 -2.495 -8.145 2.134 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.015 -6.169 3.175 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.455 -7.461 1.089 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.982 -8.827 2.053 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -5.694 -5.146 2.098 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.270 -9.101 2.009 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.976 -4.235 2.137 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.553 -8.194 2.048 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.909 -5.759 2.112 1.00 0.00 H new ATOM 746 N HIS A 48 -4.641 -9.022 4.728 1.00 0.00 N ATOM 747 CA HIS A 48 -5.230 -9.587 5.933 1.00 0.00 C ATOM 748 C HIS A 48 -4.428 -9.167 7.151 1.00 0.00 C ATOM 749 O HIS A 48 -4.968 -9.016 8.246 1.00 0.00 O ATOM 750 CB HIS A 48 -5.291 -11.112 5.835 1.00 0.00 C ATOM 751 CG HIS A 48 -5.859 -11.768 7.054 1.00 0.00 C ATOM 752 ND1 HIS A 48 -5.200 -12.755 7.754 1.00 0.00 N ATOM 753 CD2 HIS A 48 -7.039 -11.580 7.693 1.00 0.00 C ATOM 754 CE1 HIS A 48 -5.949 -13.148 8.768 1.00 0.00 C ATOM 755 NE2 HIS A 48 -7.069 -12.451 8.753 1.00 0.00 N ATOM 0 H HIS A 48 -4.189 -9.703 4.117 1.00 0.00 H new ATOM 0 HA HIS A 48 -6.247 -9.209 6.035 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -5.893 -11.388 4.970 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -4.286 -11.497 5.660 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -7.811 -10.876 7.419 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -5.689 -13.910 9.487 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -7.834 -12.544 9.421 1.00 0.00 H new ATOM 764 N ILE A 49 -3.132 -8.981 6.945 1.00 0.00 N ATOM 765 CA ILE A 49 -2.246 -8.558 8.013 1.00 0.00 C ATOM 766 C ILE A 49 -2.679 -7.199 8.536 1.00 0.00 C ATOM 767 O ILE A 49 -2.807 -6.987 9.742 1.00 0.00 O ATOM 768 CB ILE A 49 -0.791 -8.438 7.519 1.00 0.00 C ATOM 769 CG1 ILE A 49 -0.340 -9.730 6.836 1.00 0.00 C ATOM 770 CG2 ILE A 49 0.133 -8.091 8.676 1.00 0.00 C ATOM 771 CD1 ILE A 49 -0.328 -10.930 7.756 1.00 0.00 C ATOM 0 H ILE A 49 -2.673 -9.118 6.045 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.299 -9.310 8.800 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.743 -7.634 6.784 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.001 -9.935 5.994 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.661 -9.585 6.428 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.157 -8.010 8.312 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.173 -7.141 9.114 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.078 -8.874 9.433 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.002 -11.809 7.203 1.00 0.00 H new ATOM 0 HD12 ILE A 49 0.355 -10.746 8.585 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.332 -11.101 8.144 1.00 0.00 H new ATOM 783 N LEU A 50 -2.899 -6.283 7.602 1.00 0.00 N ATOM 784 CA LEU A 50 -3.303 -4.929 7.923 1.00 0.00 C ATOM 785 C LEU A 50 -4.822 -4.792 8.053 1.00 0.00 C ATOM 786 O LEU A 50 -5.313 -4.006 8.863 1.00 0.00 O ATOM 787 CB LEU A 50 -2.769 -4.001 6.836 1.00 0.00 C ATOM 788 CG LEU A 50 -3.369 -4.197 5.440 1.00 0.00 C ATOM 789 CD1 LEU A 50 -4.633 -3.366 5.270 1.00 0.00 C ATOM 790 CD2 LEU A 50 -2.351 -3.835 4.371 1.00 0.00 C ATOM 0 H LEU A 50 -2.801 -6.462 6.603 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.887 -4.658 8.894 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.945 -2.971 7.145 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.689 -4.134 6.769 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.635 -5.248 5.329 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.040 -3.523 4.271 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.370 -3.669 6.013 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.395 -2.311 5.404 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.792 -3.979 3.385 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.056 -2.792 4.488 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.474 -4.474 4.473 1.00 0.00 H new ATOM 802 N ASP A 51 -5.562 -5.558 7.255 1.00 0.00 N ATOM 803 CA ASP A 51 -7.024 -5.498 7.275 1.00 0.00 C ATOM 804 C ASP A 51 -7.619 -6.380 8.373 1.00 0.00 C ATOM 805 O ASP A 51 -8.831 -6.597 8.411 1.00 0.00 O ATOM 806 CB ASP A 51 -7.585 -5.928 5.916 1.00 0.00 C ATOM 807 CG ASP A 51 -9.072 -5.672 5.784 1.00 0.00 C ATOM 808 OD1 ASP A 51 -9.863 -6.531 6.226 1.00 0.00 O ATOM 809 OD2 ASP A 51 -9.448 -4.614 5.236 1.00 0.00 O ATOM 0 H ASP A 51 -5.176 -6.226 6.588 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.304 -4.466 7.485 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -7.058 -5.394 5.126 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.390 -6.990 5.768 1.00 0.00 H new ATOM 814 N LYS A 52 -6.778 -6.887 9.266 1.00 0.00 N ATOM 815 CA LYS A 52 -7.249 -7.743 10.341 1.00 0.00 C ATOM 816 C LYS A 52 -8.365 -7.071 11.143 1.00 0.00 C ATOM 817 O LYS A 52 -9.331 -7.724 11.535 1.00 0.00 O ATOM 818 CB LYS A 52 -6.077 -8.135 11.245 1.00 0.00 C ATOM 819 CG LYS A 52 -5.393 -6.960 11.924 1.00 0.00 C ATOM 820 CD LYS A 52 -5.909 -6.759 13.337 1.00 0.00 C ATOM 821 CE LYS A 52 -5.091 -5.715 14.078 1.00 0.00 C ATOM 822 NZ LYS A 52 -5.071 -4.411 13.361 1.00 0.00 N ATOM 0 H LYS A 52 -5.772 -6.720 9.265 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.671 -8.647 9.902 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.437 -8.823 12.010 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.340 -8.676 10.651 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.316 -7.129 11.949 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.560 -6.054 11.342 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.954 -6.450 13.305 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.873 -7.705 13.878 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.503 -5.573 15.077 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.070 -6.076 14.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.133 -3.635 14.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.186 -4.325 12.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.880 -4.361 12.710 1.00 0.00 H new ATOM 836 N ASP A 53 -8.235 -5.767 11.377 1.00 0.00 N ATOM 837 CA ASP A 53 -9.248 -5.026 12.129 1.00 0.00 C ATOM 838 C ASP A 53 -9.938 -3.976 11.257 1.00 0.00 C ATOM 839 O ASP A 53 -10.442 -2.975 11.766 1.00 0.00 O ATOM 840 CB ASP A 53 -8.621 -4.349 13.351 1.00 0.00 C ATOM 841 CG ASP A 53 -9.651 -3.659 14.223 1.00 0.00 C ATOM 842 OD1 ASP A 53 -10.257 -4.340 15.078 1.00 0.00 O ATOM 843 OD2 ASP A 53 -9.852 -2.439 14.052 1.00 0.00 O ATOM 0 H ASP A 53 -7.445 -5.204 11.060 1.00 0.00 H new ATOM 0 HA ASP A 53 -9.999 -5.744 12.459 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.089 -5.094 13.943 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.883 -3.619 13.019 1.00 0.00 H new ATOM 848 N LYS A 54 -9.966 -4.202 9.946 1.00 0.00 N ATOM 849 CA LYS A 54 -10.598 -3.252 9.033 1.00 0.00 C ATOM 850 C LYS A 54 -11.953 -3.745 8.518 1.00 0.00 C ATOM 851 O LYS A 54 -12.590 -3.073 7.708 1.00 0.00 O ATOM 852 CB LYS A 54 -9.676 -2.944 7.872 1.00 0.00 C ATOM 853 CG LYS A 54 -8.334 -2.406 8.322 1.00 0.00 C ATOM 854 CD LYS A 54 -8.402 -0.922 8.639 1.00 0.00 C ATOM 855 CE LYS A 54 -7.126 -0.443 9.311 1.00 0.00 C ATOM 856 NZ LYS A 54 -6.936 -1.067 10.651 1.00 0.00 N ATOM 0 H LYS A 54 -9.564 -5.024 9.496 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.784 -2.340 9.600 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.522 -3.849 7.285 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.154 -2.216 7.216 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.000 -2.952 9.205 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.593 -2.578 7.542 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.566 -0.359 7.720 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.254 -0.725 9.289 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.271 -0.678 8.677 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.156 0.641 9.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.249 -0.511 11.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.845 -1.089 11.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.581 -2.038 10.535 1.00 0.00 H new ATOM 870 N SER A 55 -12.383 -4.918 8.980 1.00 0.00 N ATOM 871 CA SER A 55 -13.673 -5.485 8.584 1.00 0.00 C ATOM 872 C SER A 55 -13.656 -6.024 7.153 1.00 0.00 C ATOM 873 O SER A 55 -14.711 -6.293 6.578 1.00 0.00 O ATOM 874 CB SER A 55 -14.786 -4.445 8.735 1.00 0.00 C ATOM 875 OG SER A 55 -16.061 -5.032 8.540 1.00 0.00 O ATOM 0 H SER A 55 -11.855 -5.497 9.632 1.00 0.00 H new ATOM 0 HA SER A 55 -13.868 -6.325 9.250 1.00 0.00 H new ATOM 0 HB2 SER A 55 -14.737 -3.996 9.727 1.00 0.00 H new ATOM 0 HB3 SER A 55 -14.638 -3.641 8.014 1.00 0.00 H new ATOM 0 HG SER A 55 -16.027 -5.641 7.773 1.00 0.00 H new ATOM 881 N GLY A 56 -12.467 -6.179 6.576 1.00 0.00 N ATOM 882 CA GLY A 56 -12.371 -6.706 5.224 1.00 0.00 C ATOM 883 C GLY A 56 -12.137 -5.644 4.162 1.00 0.00 C ATOM 884 O GLY A 56 -11.993 -5.970 2.984 1.00 0.00 O ATOM 0 H GLY A 56 -11.575 -5.952 7.015 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.558 -7.430 5.184 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -13.289 -7.244 4.989 1.00 0.00 H new ATOM 888 N PHE A 57 -12.100 -4.378 4.564 1.00 0.00 N ATOM 889 CA PHE A 57 -11.877 -3.292 3.613 1.00 0.00 C ATOM 890 C PHE A 57 -11.073 -2.159 4.234 1.00 0.00 C ATOM 891 O PHE A 57 -11.251 -1.821 5.405 1.00 0.00 O ATOM 892 CB PHE A 57 -13.210 -2.737 3.099 1.00 0.00 C ATOM 893 CG PHE A 57 -13.880 -3.615 2.080 1.00 0.00 C ATOM 894 CD1 PHE A 57 -13.465 -3.604 0.758 1.00 0.00 C ATOM 895 CD2 PHE A 57 -14.930 -4.444 2.441 1.00 0.00 C ATOM 896 CE1 PHE A 57 -14.083 -4.403 -0.185 1.00 0.00 C ATOM 897 CE2 PHE A 57 -15.551 -5.247 1.504 1.00 0.00 C ATOM 898 CZ PHE A 57 -15.129 -5.226 0.189 1.00 0.00 C ATOM 0 H PHE A 57 -12.220 -4.079 5.532 1.00 0.00 H new ATOM 0 HA PHE A 57 -11.309 -3.709 2.781 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -13.884 -2.597 3.944 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.039 -1.754 2.661 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -12.648 -2.963 0.461 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -15.267 -4.463 3.467 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -13.750 -4.385 -1.212 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -16.366 -5.891 1.800 1.00 0.00 H new ATOM 0 HZ PHE A 57 -15.615 -5.851 -0.545 1.00 0.00 H new ATOM 908 N ILE A 58 -10.184 -1.576 3.438 1.00 0.00 N ATOM 909 CA ILE A 58 -9.365 -0.461 3.893 1.00 0.00 C ATOM 910 C ILE A 58 -9.873 0.823 3.275 1.00 0.00 C ATOM 911 O ILE A 58 -10.017 0.927 2.059 1.00 0.00 O ATOM 912 CB ILE A 58 -7.864 -0.618 3.553 1.00 0.00 C ATOM 913 CG1 ILE A 58 -7.527 -2.036 3.090 1.00 0.00 C ATOM 914 CG2 ILE A 58 -7.023 -0.250 4.764 1.00 0.00 C ATOM 915 CD1 ILE A 58 -6.116 -2.166 2.564 1.00 0.00 C ATOM 0 H ILE A 58 -10.013 -1.858 2.473 1.00 0.00 H new ATOM 0 HA ILE A 58 -9.448 -0.440 4.980 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.637 0.057 2.728 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.663 -2.726 3.923 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.228 -2.334 2.311 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.966 -0.362 4.521 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.223 0.784 5.045 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.275 -0.908 5.596 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.938 -3.195 2.251 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.982 -1.499 1.712 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.409 -1.898 3.349 1.00 0.00 H new ATOM 927 N GLU A 59 -10.097 1.809 4.121 1.00 0.00 N ATOM 928 CA GLU A 59 -10.632 3.083 3.694 1.00 0.00 C ATOM 929 C GLU A 59 -9.552 4.146 3.620 1.00 0.00 C ATOM 930 O GLU A 59 -8.789 4.350 4.561 1.00 0.00 O ATOM 931 CB GLU A 59 -11.711 3.502 4.680 1.00 0.00 C ATOM 932 CG GLU A 59 -13.115 3.110 4.249 1.00 0.00 C ATOM 933 CD GLU A 59 -14.096 3.093 5.405 1.00 0.00 C ATOM 934 OE1 GLU A 59 -14.210 2.042 6.070 1.00 0.00 O ATOM 935 OE2 GLU A 59 -14.750 4.129 5.644 1.00 0.00 O ATOM 0 H GLU A 59 -9.913 1.748 5.122 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.049 2.976 2.692 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.499 3.053 5.650 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.669 4.583 4.813 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.466 3.808 3.489 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.087 2.123 3.786 1.00 0.00 H new ATOM 942 N GLU A 60 -9.515 4.819 2.473 1.00 0.00 N ATOM 943 CA GLU A 60 -8.555 5.890 2.203 1.00 0.00 C ATOM 944 C GLU A 60 -8.250 6.708 3.450 1.00 0.00 C ATOM 945 O GLU A 60 -7.112 7.119 3.671 1.00 0.00 O ATOM 946 CB GLU A 60 -9.105 6.799 1.106 1.00 0.00 C ATOM 947 CG GLU A 60 -10.576 7.092 1.290 1.00 0.00 C ATOM 948 CD GLU A 60 -10.891 8.574 1.267 1.00 0.00 C ATOM 949 OE1 GLU A 60 -10.832 9.210 2.339 1.00 0.00 O ATOM 950 OE2 GLU A 60 -11.197 9.099 0.175 1.00 0.00 O ATOM 0 H GLU A 60 -10.154 4.637 1.699 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.622 5.431 1.876 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.548 7.736 1.100 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.949 6.329 0.135 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.142 6.594 0.503 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.909 6.670 2.238 1.00 0.00 H new ATOM 957 N ASP A 61 -9.266 6.927 4.274 1.00 0.00 N ATOM 958 CA ASP A 61 -9.091 7.698 5.496 1.00 0.00 C ATOM 959 C ASP A 61 -8.196 6.950 6.477 1.00 0.00 C ATOM 960 O ASP A 61 -7.219 7.497 6.986 1.00 0.00 O ATOM 961 CB ASP A 61 -10.447 7.990 6.140 1.00 0.00 C ATOM 962 CG ASP A 61 -11.342 8.832 5.250 1.00 0.00 C ATOM 963 OD1 ASP A 61 -12.081 8.248 4.431 1.00 0.00 O ATOM 964 OD2 ASP A 61 -11.303 10.073 5.373 1.00 0.00 O ATOM 0 H ASP A 61 -10.214 6.584 4.119 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.613 8.643 5.239 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.948 7.049 6.368 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.292 8.506 7.087 1.00 0.00 H new ATOM 969 N GLU A 62 -8.541 5.691 6.733 1.00 0.00 N ATOM 970 CA GLU A 62 -7.769 4.851 7.643 1.00 0.00 C ATOM 971 C GLU A 62 -6.499 4.343 6.960 1.00 0.00 C ATOM 972 O GLU A 62 -5.538 3.948 7.622 1.00 0.00 O ATOM 973 CB GLU A 62 -8.616 3.668 8.115 1.00 0.00 C ATOM 974 CG GLU A 62 -8.006 2.910 9.281 1.00 0.00 C ATOM 975 CD GLU A 62 -8.008 3.718 10.563 1.00 0.00 C ATOM 976 OE1 GLU A 62 -7.072 4.521 10.760 1.00 0.00 O ATOM 977 OE2 GLU A 62 -8.948 3.549 11.370 1.00 0.00 O ATOM 0 H GLU A 62 -9.352 5.229 6.322 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.483 5.452 8.506 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.602 4.031 8.405 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.761 2.981 7.282 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.560 1.984 9.438 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.982 2.631 9.033 1.00 0.00 H new ATOM 984 N LEU A 63 -6.511 4.352 5.628 1.00 0.00 N ATOM 985 CA LEU A 63 -5.379 3.901 4.831 1.00 0.00 C ATOM 986 C LEU A 63 -4.081 4.513 5.335 1.00 0.00 C ATOM 987 O LEU A 63 -3.088 3.818 5.541 1.00 0.00 O ATOM 988 CB LEU A 63 -5.615 4.285 3.374 1.00 0.00 C ATOM 989 CG LEU A 63 -5.290 3.203 2.343 1.00 0.00 C ATOM 990 CD1 LEU A 63 -3.889 2.655 2.558 1.00 0.00 C ATOM 991 CD2 LEU A 63 -6.318 2.086 2.405 1.00 0.00 C ATOM 0 H LEU A 63 -7.306 4.672 5.075 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.290 2.818 4.917 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.661 4.570 3.257 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.017 5.168 3.148 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.328 3.653 1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.680 1.887 1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.163 3.462 2.460 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.817 2.222 3.556 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.072 1.324 1.665 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.312 1.641 3.400 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.308 2.491 2.194 1.00 0.00 H new ATOM 1003 N GLY A 64 -4.111 5.817 5.544 1.00 0.00 N ATOM 1004 CA GLY A 64 -2.938 6.523 6.023 1.00 0.00 C ATOM 1005 C GLY A 64 -2.457 6.006 7.360 1.00 0.00 C ATOM 1006 O GLY A 64 -1.257 5.995 7.634 1.00 0.00 O ATOM 0 H GLY A 64 -4.930 6.405 5.390 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.136 6.428 5.291 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.167 7.585 6.109 1.00 0.00 H new ATOM 1010 N SER A 65 -3.393 5.578 8.195 1.00 0.00 N ATOM 1011 CA SER A 65 -3.057 5.047 9.507 1.00 0.00 C ATOM 1012 C SER A 65 -2.541 3.621 9.373 1.00 0.00 C ATOM 1013 O SER A 65 -1.432 3.300 9.794 1.00 0.00 O ATOM 1014 CB SER A 65 -4.288 5.066 10.414 1.00 0.00 C ATOM 1015 OG SER A 65 -3.946 4.721 11.747 1.00 0.00 O ATOM 0 H SER A 65 -4.391 5.588 7.987 1.00 0.00 H new ATOM 0 HA SER A 65 -2.280 5.670 9.949 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.741 6.057 10.397 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.034 4.368 10.034 1.00 0.00 H new ATOM 0 HG SER A 65 -4.750 4.742 12.307 1.00 0.00 H new ATOM 1021 N ILE A 66 -3.364 2.775 8.774 1.00 0.00 N ATOM 1022 CA ILE A 66 -3.018 1.376 8.568 1.00 0.00 C ATOM 1023 C ILE A 66 -1.747 1.224 7.730 1.00 0.00 C ATOM 1024 O ILE A 66 -1.098 0.179 7.761 1.00 0.00 O ATOM 1025 CB ILE A 66 -4.171 0.632 7.877 1.00 0.00 C ATOM 1026 CG1 ILE A 66 -3.882 -0.861 7.805 1.00 0.00 C ATOM 1027 CG2 ILE A 66 -4.409 1.202 6.489 1.00 0.00 C ATOM 1028 CD1 ILE A 66 -3.479 -1.466 9.132 1.00 0.00 C ATOM 0 H ILE A 66 -4.284 3.035 8.419 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.837 0.942 9.552 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.076 0.772 8.468 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.768 -1.376 7.435 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.087 -1.034 7.080 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.229 0.665 6.011 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.664 2.259 6.568 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.505 1.091 5.890 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.289 -2.532 9.003 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.575 -0.977 9.495 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.283 -1.325 9.855 1.00 0.00 H new ATOM 1040 N LEU A 67 -1.391 2.267 6.980 1.00 0.00 N ATOM 1041 CA LEU A 67 -0.195 2.233 6.139 1.00 0.00 C ATOM 1042 C LEU A 67 1.005 1.695 6.902 1.00 0.00 C ATOM 1043 O LEU A 67 1.912 1.091 6.323 1.00 0.00 O ATOM 1044 CB LEU A 67 0.131 3.636 5.630 1.00 0.00 C ATOM 1045 CG LEU A 67 0.143 3.773 4.110 1.00 0.00 C ATOM 1046 CD1 LEU A 67 -1.237 4.129 3.591 1.00 0.00 C ATOM 1047 CD2 LEU A 67 1.172 4.804 3.675 1.00 0.00 C ATOM 0 H LEU A 67 -1.912 3.143 6.938 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.404 1.570 5.300 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.598 4.335 6.039 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.107 3.931 6.016 1.00 0.00 H new ATOM 0 HG LEU A 67 0.424 2.811 3.681 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.205 4.222 2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.943 3.346 3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.556 5.076 4.027 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.166 4.888 2.588 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.927 5.771 4.115 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.162 4.494 4.010 1.00 0.00 H new ATOM 1059 N LYS A 68 0.990 1.898 8.209 1.00 0.00 N ATOM 1060 CA LYS A 68 2.085 1.476 9.057 1.00 0.00 C ATOM 1061 C LYS A 68 2.506 0.037 8.786 1.00 0.00 C ATOM 1062 O LYS A 68 3.624 -0.348 9.123 1.00 0.00 O ATOM 1063 CB LYS A 68 1.705 1.670 10.515 1.00 0.00 C ATOM 1064 CG LYS A 68 1.396 3.119 10.846 1.00 0.00 C ATOM 1065 CD LYS A 68 2.648 3.975 10.792 1.00 0.00 C ATOM 1066 CE LYS A 68 2.361 5.412 11.200 1.00 0.00 C ATOM 1067 NZ LYS A 68 1.378 6.064 10.292 1.00 0.00 N ATOM 0 H LYS A 68 0.225 2.356 8.705 1.00 0.00 H new ATOM 0 HA LYS A 68 2.949 2.098 8.825 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.836 1.054 10.746 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.520 1.321 11.149 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.658 3.506 10.143 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.953 3.181 11.840 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.407 3.553 11.451 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.058 3.958 9.782 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.979 5.430 12.221 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.290 5.982 11.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.337 7.083 10.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.671 5.922 9.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.438 5.643 10.438 1.00 0.00 H new ATOM 1081 N GLY A 69 1.630 -0.769 8.179 1.00 0.00 N ATOM 1082 CA GLY A 69 2.007 -2.138 7.858 1.00 0.00 C ATOM 1083 C GLY A 69 3.373 -2.178 7.197 1.00 0.00 C ATOM 1084 O GLY A 69 4.291 -2.842 7.678 1.00 0.00 O ATOM 0 H GLY A 69 0.683 -0.503 7.909 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.020 -2.739 8.767 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.263 -2.579 7.194 1.00 0.00 H new ATOM 1088 N PHE A 70 3.497 -1.459 6.086 1.00 0.00 N ATOM 1089 CA PHE A 70 4.759 -1.351 5.374 1.00 0.00 C ATOM 1090 C PHE A 70 5.446 -0.042 5.777 1.00 0.00 C ATOM 1091 O PHE A 70 6.664 0.033 5.923 1.00 0.00 O ATOM 1092 CB PHE A 70 4.544 -1.401 3.855 1.00 0.00 C ATOM 1093 CG PHE A 70 3.391 -0.573 3.358 1.00 0.00 C ATOM 1094 CD1 PHE A 70 2.097 -1.069 3.401 1.00 0.00 C ATOM 1095 CD2 PHE A 70 3.603 0.693 2.832 1.00 0.00 C ATOM 1096 CE1 PHE A 70 1.036 -0.319 2.932 1.00 0.00 C ATOM 1097 CE2 PHE A 70 2.542 1.448 2.357 1.00 0.00 C ATOM 1098 CZ PHE A 70 1.259 0.940 2.409 1.00 0.00 C ATOM 0 H PHE A 70 2.730 -0.940 5.659 1.00 0.00 H new ATOM 0 HA PHE A 70 5.393 -2.196 5.642 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.455 -1.064 3.361 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.385 -2.438 3.558 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.916 -2.054 3.806 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.605 1.094 2.792 1.00 0.00 H new ATOM 0 HE1 PHE A 70 0.033 -0.717 2.974 1.00 0.00 H new ATOM 0 HE2 PHE A 70 2.718 2.431 1.947 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.430 1.527 2.041 1.00 0.00 H new ATOM 1108 N SER A 71 4.604 0.973 5.973 1.00 0.00 N ATOM 1109 CA SER A 71 5.007 2.328 6.355 1.00 0.00 C ATOM 1110 C SER A 71 5.451 2.434 7.815 1.00 0.00 C ATOM 1111 O SER A 71 5.739 3.529 8.291 1.00 0.00 O ATOM 1112 CB SER A 71 3.862 3.306 6.102 1.00 0.00 C ATOM 1113 OG SER A 71 4.246 4.633 6.419 1.00 0.00 O ATOM 0 H SER A 71 3.594 0.873 5.868 1.00 0.00 H new ATOM 0 HA SER A 71 5.868 2.581 5.736 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.557 3.252 5.057 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.997 3.021 6.701 1.00 0.00 H new ATOM 0 HG SER A 71 4.891 4.620 7.157 1.00 0.00 H new ATOM 1119 N SER A 72 5.478 1.318 8.542 1.00 0.00 N ATOM 1120 CA SER A 72 5.866 1.348 9.956 1.00 0.00 C ATOM 1121 C SER A 72 7.105 2.215 10.189 1.00 0.00 C ATOM 1122 O SER A 72 7.303 2.736 11.286 1.00 0.00 O ATOM 1123 CB SER A 72 6.140 -0.070 10.463 1.00 0.00 C ATOM 1124 OG SER A 72 6.796 -0.042 11.718 1.00 0.00 O ATOM 0 H SER A 72 5.240 0.393 8.184 1.00 0.00 H new ATOM 0 HA SER A 72 5.034 1.785 10.508 1.00 0.00 H new ATOM 0 HB2 SER A 72 5.201 -0.616 10.552 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.754 -0.607 9.740 1.00 0.00 H new ATOM 0 HG SER A 72 6.959 -0.959 12.022 1.00 0.00 H new ATOM 1130 N ASP A 73 7.935 2.374 9.163 1.00 0.00 N ATOM 1131 CA ASP A 73 9.129 3.205 9.279 1.00 0.00 C ATOM 1132 C ASP A 73 9.124 4.321 8.233 1.00 0.00 C ATOM 1133 O ASP A 73 10.173 4.859 7.880 1.00 0.00 O ATOM 1134 CB ASP A 73 10.387 2.358 9.139 1.00 0.00 C ATOM 1135 CG ASP A 73 10.357 1.125 10.022 1.00 0.00 C ATOM 1136 OD1 ASP A 73 9.869 0.073 9.558 1.00 0.00 O ATOM 1137 OD2 ASP A 73 10.820 1.212 11.179 1.00 0.00 O ATOM 0 H ASP A 73 7.805 1.942 8.248 1.00 0.00 H new ATOM 0 HA ASP A 73 9.124 3.663 10.268 1.00 0.00 H new ATOM 0 HB2 ASP A 73 10.502 2.054 8.099 1.00 0.00 H new ATOM 0 HB3 ASP A 73 11.258 2.962 9.393 1.00 0.00 H new ATOM 1142 N ALA A 74 7.932 4.658 7.742 1.00 0.00 N ATOM 1143 CA ALA A 74 7.770 5.706 6.738 1.00 0.00 C ATOM 1144 C ALA A 74 6.805 6.782 7.235 1.00 0.00 C ATOM 1145 O ALA A 74 6.609 6.936 8.440 1.00 0.00 O ATOM 1146 CB ALA A 74 7.272 5.110 5.426 1.00 0.00 C ATOM 0 H ALA A 74 7.058 4.215 8.027 1.00 0.00 H new ATOM 0 HA ALA A 74 8.741 6.170 6.564 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.156 5.903 4.687 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.993 4.378 5.062 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.311 4.623 5.589 1.00 0.00 H new ATOM 1152 N ARG A 75 6.203 7.526 6.309 1.00 0.00 N ATOM 1153 CA ARG A 75 5.267 8.583 6.679 1.00 0.00 C ATOM 1154 C ARG A 75 3.823 8.076 6.661 1.00 0.00 C ATOM 1155 O ARG A 75 3.368 7.485 7.639 1.00 0.00 O ATOM 1156 CB ARG A 75 5.437 9.797 5.763 1.00 0.00 C ATOM 1157 CG ARG A 75 6.721 10.573 6.017 1.00 0.00 C ATOM 1158 CD ARG A 75 7.954 9.751 5.680 1.00 0.00 C ATOM 1159 NE ARG A 75 9.179 10.534 5.803 1.00 0.00 N ATOM 1160 CZ ARG A 75 10.400 10.013 5.722 1.00 0.00 C ATOM 1161 NH1 ARG A 75 10.557 8.713 5.509 1.00 0.00 N ATOM 1162 NH2 ARG A 75 11.463 10.793 5.851 1.00 0.00 N ATOM 0 H ARG A 75 6.346 7.417 5.305 1.00 0.00 H new ATOM 0 HA ARG A 75 5.493 8.893 7.699 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.422 9.464 4.725 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.586 10.465 5.896 1.00 0.00 H new ATOM 0 HG2 ARG A 75 6.718 11.485 5.420 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.761 10.876 7.063 1.00 0.00 H new ATOM 0 HD2 ARG A 75 8.007 8.887 6.343 1.00 0.00 H new ATOM 0 HD3 ARG A 75 7.868 9.368 4.663 1.00 0.00 H new ATOM 0 HE ARG A 75 9.094 11.538 5.960 1.00 0.00 H new ATOM 0 HH11 ARG A 75 9.740 8.111 5.407 1.00 0.00 H new ATOM 0 HH12 ARG A 75 11.494 8.316 5.447 1.00 0.00 H new ATOM 0 HH21 ARG A 75 11.345 11.793 6.012 1.00 0.00 H new ATOM 0 HH22 ARG A 75 12.399 10.393 5.789 1.00 0.00 H new ATOM 1176 N ASP A 76 3.100 8.302 5.555 1.00 0.00 N ATOM 1177 CA ASP A 76 1.708 7.857 5.450 1.00 0.00 C ATOM 1178 C ASP A 76 1.008 8.457 4.228 1.00 0.00 C ATOM 1179 O ASP A 76 1.587 9.252 3.488 1.00 0.00 O ATOM 1180 CB ASP A 76 0.927 8.236 6.713 1.00 0.00 C ATOM 1181 CG ASP A 76 1.161 9.676 7.128 1.00 0.00 C ATOM 1182 OD1 ASP A 76 2.126 9.926 7.882 1.00 0.00 O ATOM 1183 OD2 ASP A 76 0.381 10.551 6.701 1.00 0.00 O ATOM 0 H ASP A 76 3.454 8.786 4.730 1.00 0.00 H new ATOM 0 HA ASP A 76 1.727 6.773 5.338 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.138 8.079 6.539 1.00 0.00 H new ATOM 0 HB3 ASP A 76 1.217 7.574 7.529 1.00 0.00 H new ATOM 1188 N LEU A 77 -0.248 8.053 4.034 1.00 0.00 N ATOM 1189 CA LEU A 77 -1.073 8.536 2.925 1.00 0.00 C ATOM 1190 C LEU A 77 -1.809 9.809 3.331 1.00 0.00 C ATOM 1191 O LEU A 77 -2.656 9.783 4.225 1.00 0.00 O ATOM 1192 CB LEU A 77 -2.095 7.467 2.530 1.00 0.00 C ATOM 1193 CG LEU A 77 -1.841 6.766 1.196 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -0.374 6.399 1.058 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -2.721 5.532 1.078 1.00 0.00 C ATOM 0 H LEU A 77 -0.722 7.383 4.640 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.423 8.751 2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.125 6.712 3.316 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.081 7.930 2.494 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.095 7.450 0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.212 5.901 0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.233 7.303 1.103 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.089 5.729 1.869 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.532 5.040 0.124 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.494 4.844 1.892 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.769 5.826 1.133 1.00 0.00 H new ATOM 1207 N SER A 78 -1.491 10.917 2.675 1.00 0.00 N ATOM 1208 CA SER A 78 -2.142 12.182 2.979 1.00 0.00 C ATOM 1209 C SER A 78 -3.347 12.389 2.072 1.00 0.00 C ATOM 1210 O SER A 78 -3.697 11.509 1.285 1.00 0.00 O ATOM 1211 CB SER A 78 -1.156 13.340 2.814 1.00 0.00 C ATOM 1212 OG SER A 78 -0.057 13.203 3.698 1.00 0.00 O ATOM 0 H SER A 78 -0.791 10.965 1.934 1.00 0.00 H new ATOM 0 HA SER A 78 -2.483 12.155 4.014 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.797 13.373 1.785 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.665 14.285 3.005 1.00 0.00 H new ATOM 0 HG SER A 78 0.560 13.954 3.572 1.00 0.00 H new ATOM 1218 N ALA A 79 -3.983 13.550 2.183 1.00 0.00 N ATOM 1219 CA ALA A 79 -5.144 13.868 1.356 1.00 0.00 C ATOM 1220 C ALA A 79 -4.864 13.539 -0.105 1.00 0.00 C ATOM 1221 O ALA A 79 -5.655 12.876 -0.776 1.00 0.00 O ATOM 1222 CB ALA A 79 -5.488 15.339 1.497 1.00 0.00 C ATOM 0 H ALA A 79 -3.716 14.286 2.836 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.988 13.266 1.693 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.355 15.571 0.878 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.717 15.561 2.539 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.640 15.943 1.175 1.00 0.00 H new ATOM 1228 N LYS A 80 -3.724 14.019 -0.580 1.00 0.00 N ATOM 1229 CA LYS A 80 -3.299 13.788 -1.954 1.00 0.00 C ATOM 1230 C LYS A 80 -3.221 12.298 -2.276 1.00 0.00 C ATOM 1231 O LYS A 80 -3.773 11.845 -3.271 1.00 0.00 O ATOM 1232 CB LYS A 80 -1.931 14.428 -2.189 1.00 0.00 C ATOM 1233 CG LYS A 80 -1.407 14.246 -3.604 1.00 0.00 C ATOM 1234 CD LYS A 80 0.013 14.769 -3.743 1.00 0.00 C ATOM 1235 CE LYS A 80 0.533 14.597 -5.161 1.00 0.00 C ATOM 1236 NZ LYS A 80 -0.280 15.365 -6.145 1.00 0.00 N ATOM 0 H LYS A 80 -3.071 14.576 -0.029 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.042 14.241 -2.611 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.996 15.494 -1.969 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.214 14.001 -1.488 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.434 13.189 -3.870 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.059 14.768 -4.305 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.042 15.824 -3.469 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.666 14.241 -3.048 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.571 14.927 -5.210 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.522 13.540 -5.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.230 15.420 -7.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.192 14.887 -6.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.447 16.326 -5.783 1.00 0.00 H new ATOM 1250 N GLU A 81 -2.537 11.545 -1.421 1.00 0.00 N ATOM 1251 CA GLU A 81 -2.358 10.111 -1.615 1.00 0.00 C ATOM 1252 C GLU A 81 -3.660 9.357 -1.455 1.00 0.00 C ATOM 1253 O GLU A 81 -3.856 8.315 -2.065 1.00 0.00 O ATOM 1254 CB GLU A 81 -1.356 9.568 -0.608 1.00 0.00 C ATOM 1255 CG GLU A 81 -0.151 10.468 -0.379 1.00 0.00 C ATOM 1256 CD GLU A 81 0.540 10.855 -1.672 1.00 0.00 C ATOM 1257 OE1 GLU A 81 0.114 11.850 -2.293 1.00 0.00 O ATOM 1258 OE2 GLU A 81 1.504 10.163 -2.062 1.00 0.00 O ATOM 0 H GLU A 81 -2.093 11.909 -0.578 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.992 9.966 -2.631 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.864 9.410 0.344 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.008 8.593 -0.949 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.470 11.370 0.143 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.560 9.958 0.271 1.00 0.00 H new ATOM 1265 N THR A 82 -4.544 9.839 -0.603 1.00 0.00 N ATOM 1266 CA THR A 82 -5.810 9.159 -0.439 1.00 0.00 C ATOM 1267 C THR A 82 -6.540 9.164 -1.765 1.00 0.00 C ATOM 1268 O THR A 82 -7.017 8.137 -2.244 1.00 0.00 O ATOM 1269 CB THR A 82 -6.683 9.846 0.613 1.00 0.00 C ATOM 1270 OG1 THR A 82 -6.203 11.172 0.862 1.00 0.00 O ATOM 1271 CG2 THR A 82 -6.688 9.047 1.900 1.00 0.00 C ATOM 0 H THR A 82 -4.415 10.673 -0.030 1.00 0.00 H new ATOM 0 HA THR A 82 -5.614 8.140 -0.106 1.00 0.00 H new ATOM 0 HB THR A 82 -7.703 9.903 0.233 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.478 11.762 0.130 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.314 9.549 2.638 1.00 0.00 H new ATOM 0 HG22 THR A 82 -7.084 8.050 1.708 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.670 8.966 2.282 1.00 0.00 H new ATOM 1279 N LYS A 83 -6.615 10.347 -2.342 1.00 0.00 N ATOM 1280 CA LYS A 83 -7.237 10.532 -3.632 1.00 0.00 C ATOM 1281 C LYS A 83 -6.320 10.043 -4.751 1.00 0.00 C ATOM 1282 O LYS A 83 -6.787 9.666 -5.822 1.00 0.00 O ATOM 1283 CB LYS A 83 -7.590 12.005 -3.824 1.00 0.00 C ATOM 1284 CG LYS A 83 -8.479 12.543 -2.715 1.00 0.00 C ATOM 1285 CD LYS A 83 -9.891 11.985 -2.812 1.00 0.00 C ATOM 1286 CE LYS A 83 -10.580 12.428 -4.093 1.00 0.00 C ATOM 1287 NZ LYS A 83 -11.991 11.957 -4.155 1.00 0.00 N ATOM 0 H LYS A 83 -6.246 11.203 -1.928 1.00 0.00 H new ATOM 0 HA LYS A 83 -8.152 9.941 -3.672 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -6.673 12.592 -3.866 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.094 12.132 -4.782 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.051 12.285 -1.746 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -8.512 13.631 -2.769 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.856 10.896 -2.775 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -10.473 12.315 -1.952 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.557 13.516 -4.160 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.031 12.044 -4.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -12.426 12.279 -5.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.012 10.918 -4.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.522 12.344 -3.349 1.00 0.00 H new ATOM 1301 N THR A 84 -5.006 10.072 -4.506 1.00 0.00 N ATOM 1302 CA THR A 84 -4.047 9.661 -5.520 1.00 0.00 C ATOM 1303 C THR A 84 -3.736 8.166 -5.483 1.00 0.00 C ATOM 1304 O THR A 84 -3.959 7.455 -6.464 1.00 0.00 O ATOM 1305 CB THR A 84 -2.728 10.452 -5.410 1.00 0.00 C ATOM 1306 OG1 THR A 84 -2.987 11.855 -5.545 1.00 0.00 O ATOM 1307 CG2 THR A 84 -1.738 10.019 -6.482 1.00 0.00 C ATOM 0 H THR A 84 -4.592 10.373 -3.624 1.00 0.00 H new ATOM 0 HA THR A 84 -4.528 9.881 -6.473 1.00 0.00 H new ATOM 0 HB THR A 84 -2.294 10.248 -4.431 1.00 0.00 H new ATOM 0 HG1 THR A 84 -3.429 12.186 -4.735 1.00 0.00 H new ATOM 0 HG21 THR A 84 -0.817 10.593 -6.380 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.518 8.958 -6.367 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.169 10.195 -7.468 1.00 0.00 H new ATOM 1315 N LEU A 85 -3.255 7.688 -4.344 1.00 0.00 N ATOM 1316 CA LEU A 85 -2.881 6.280 -4.215 1.00 0.00 C ATOM 1317 C LEU A 85 -4.082 5.379 -3.956 1.00 0.00 C ATOM 1318 O LEU A 85 -4.258 4.370 -4.640 1.00 0.00 O ATOM 1319 CB LEU A 85 -1.835 6.079 -3.118 1.00 0.00 C ATOM 1320 CG LEU A 85 -1.211 4.681 -3.080 1.00 0.00 C ATOM 1321 CD1 LEU A 85 -0.186 4.523 -4.190 1.00 0.00 C ATOM 1322 CD2 LEU A 85 -0.581 4.410 -1.726 1.00 0.00 C ATOM 0 H LEU A 85 -3.114 8.245 -3.501 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.449 5.992 -5.174 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.041 6.813 -3.253 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.297 6.283 -2.152 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.003 3.949 -3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.246 3.523 -4.146 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.670 4.667 -5.156 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.603 5.265 -4.065 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.144 3.412 -1.721 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.198 5.148 -1.533 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.344 4.476 -0.950 1.00 0.00 H new ATOM 1334 N MET A 86 -4.914 5.727 -2.971 1.00 0.00 N ATOM 1335 CA MET A 86 -6.082 4.896 -2.677 1.00 0.00 C ATOM 1336 C MET A 86 -7.084 4.946 -3.825 1.00 0.00 C ATOM 1337 O MET A 86 -7.562 3.910 -4.284 1.00 0.00 O ATOM 1338 CB MET A 86 -6.763 5.309 -1.365 1.00 0.00 C ATOM 1339 CG MET A 86 -7.553 4.180 -0.713 1.00 0.00 C ATOM 1340 SD MET A 86 -8.902 3.577 -1.750 1.00 0.00 S ATOM 1341 CE MET A 86 -9.754 5.109 -2.118 1.00 0.00 C ATOM 0 H MET A 86 -4.807 6.552 -2.381 1.00 0.00 H new ATOM 0 HA MET A 86 -5.726 3.872 -2.560 1.00 0.00 H new ATOM 0 HB2 MET A 86 -6.005 5.663 -0.666 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.433 6.146 -1.560 1.00 0.00 H new ATOM 0 HG2 MET A 86 -6.878 3.354 -0.487 1.00 0.00 H new ATOM 0 HG3 MET A 86 -7.959 4.529 0.236 1.00 0.00 H new ATOM 0 HE1 MET A 86 -10.503 4.932 -2.890 1.00 0.00 H new ATOM 0 HE2 MET A 86 -10.242 5.480 -1.217 1.00 0.00 H new ATOM 0 HE3 MET A 86 -9.036 5.849 -2.472 1.00 0.00 H new ATOM 1351 N ALA A 87 -7.395 6.150 -4.293 1.00 0.00 N ATOM 1352 CA ALA A 87 -8.344 6.314 -5.387 1.00 0.00 C ATOM 1353 C ALA A 87 -7.826 5.687 -6.680 1.00 0.00 C ATOM 1354 O ALA A 87 -8.600 5.096 -7.434 1.00 0.00 O ATOM 1355 CB ALA A 87 -8.670 7.783 -5.592 1.00 0.00 C ATOM 0 H ALA A 87 -7.006 7.022 -3.934 1.00 0.00 H new ATOM 0 HA ALA A 87 -9.260 5.789 -5.114 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -9.380 7.887 -6.413 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -9.107 8.189 -4.680 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -7.757 8.328 -5.831 1.00 0.00 H new ATOM 1361 N ALA A 88 -6.522 5.808 -6.946 1.00 0.00 N ATOM 1362 CA ALA A 88 -5.958 5.220 -8.154 1.00 0.00 C ATOM 1363 C ALA A 88 -6.024 3.706 -8.058 1.00 0.00 C ATOM 1364 O ALA A 88 -6.776 3.064 -8.781 1.00 0.00 O ATOM 1365 CB ALA A 88 -4.523 5.680 -8.366 1.00 0.00 C ATOM 0 H ALA A 88 -5.853 6.298 -6.352 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.542 5.552 -9.012 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -4.126 5.227 -9.274 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.499 6.765 -8.462 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.914 5.378 -7.514 1.00 0.00 H new ATOM 1371 N GLY A 89 -5.263 3.144 -7.122 1.00 0.00 N ATOM 1372 CA GLY A 89 -5.259 1.704 -6.921 1.00 0.00 C ATOM 1373 C GLY A 89 -6.659 1.119 -6.947 1.00 0.00 C ATOM 1374 O GLY A 89 -6.879 -0.017 -7.367 1.00 0.00 O ATOM 0 H GLY A 89 -4.646 3.663 -6.497 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.655 1.232 -7.696 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.788 1.473 -5.965 1.00 0.00 H new ATOM 1378 N ASP A 90 -7.594 1.934 -6.483 1.00 0.00 N ATOM 1379 CA ASP A 90 -8.996 1.575 -6.386 1.00 0.00 C ATOM 1380 C ASP A 90 -9.819 2.053 -7.590 1.00 0.00 C ATOM 1381 O ASP A 90 -10.915 2.567 -7.416 1.00 0.00 O ATOM 1382 CB ASP A 90 -9.582 2.065 -5.064 1.00 0.00 C ATOM 1383 CG ASP A 90 -11.050 1.724 -4.908 1.00 0.00 C ATOM 1384 OD1 ASP A 90 -11.376 0.522 -4.839 1.00 0.00 O ATOM 1385 OD2 ASP A 90 -11.870 2.662 -4.847 1.00 0.00 O ATOM 0 H ASP A 90 -7.394 2.880 -6.158 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.054 0.487 -6.404 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -9.022 1.625 -4.239 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -9.456 3.145 -4.995 1.00 0.00 H new ATOM 1390 N LYS A 91 -9.251 1.923 -8.801 1.00 0.00 N ATOM 1391 CA LYS A 91 -9.917 2.333 -10.070 1.00 0.00 C ATOM 1392 C LYS A 91 -11.429 2.292 -9.974 1.00 0.00 C ATOM 1393 O LYS A 91 -12.130 3.171 -10.473 1.00 0.00 O ATOM 1394 CB LYS A 91 -9.585 1.327 -11.175 1.00 0.00 C ATOM 1395 CG LYS A 91 -8.287 1.555 -11.900 1.00 0.00 C ATOM 1396 CD LYS A 91 -7.113 1.240 -11.021 1.00 0.00 C ATOM 1397 CE LYS A 91 -6.055 0.456 -11.780 1.00 0.00 C ATOM 1398 NZ LYS A 91 -5.544 1.209 -12.960 1.00 0.00 N ATOM 0 H LYS A 91 -8.319 1.532 -8.938 1.00 0.00 H new ATOM 0 HA LYS A 91 -9.565 3.344 -10.273 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.564 0.329 -10.737 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -10.394 1.338 -11.905 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.253 0.933 -12.794 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -8.229 2.592 -12.231 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -6.681 2.166 -10.641 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -7.446 0.665 -10.157 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.226 0.224 -11.111 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.475 -0.494 -12.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.573 0.903 -13.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -6.154 1.022 -13.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -5.548 2.228 -12.750 1.00 0.00 H new ATOM 1412 N ASP A 92 -11.908 1.257 -9.332 1.00 0.00 N ATOM 1413 CA ASP A 92 -13.353 1.053 -9.170 1.00 0.00 C ATOM 1414 C ASP A 92 -14.052 2.274 -8.547 1.00 0.00 C ATOM 1415 O ASP A 92 -15.277 2.392 -8.615 1.00 0.00 O ATOM 1416 CB ASP A 92 -13.628 -0.190 -8.319 1.00 0.00 C ATOM 1417 CG ASP A 92 -13.310 -1.480 -9.056 1.00 0.00 C ATOM 1418 OD1 ASP A 92 -14.129 -1.895 -9.900 1.00 0.00 O ATOM 1419 OD2 ASP A 92 -12.246 -2.075 -8.785 1.00 0.00 O ATOM 0 H ASP A 92 -11.329 0.533 -8.907 1.00 0.00 H new ATOM 0 HA ASP A 92 -13.765 0.911 -10.169 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -13.034 -0.141 -7.406 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -14.676 -0.196 -8.018 1.00 0.00 H new ATOM 1424 N GLY A 93 -13.278 3.173 -7.945 1.00 0.00 N ATOM 1425 CA GLY A 93 -13.834 4.376 -7.350 1.00 0.00 C ATOM 1426 C GLY A 93 -14.724 4.094 -6.157 1.00 0.00 C ATOM 1427 O GLY A 93 -15.785 4.701 -6.010 1.00 0.00 O ATOM 0 H GLY A 93 -12.265 3.088 -7.858 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -13.019 5.031 -7.041 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -14.408 4.915 -8.104 1.00 0.00 H new ATOM 1431 N ASP A 94 -14.291 3.180 -5.301 1.00 0.00 N ATOM 1432 CA ASP A 94 -15.057 2.825 -4.113 1.00 0.00 C ATOM 1433 C ASP A 94 -14.563 3.580 -2.876 1.00 0.00 C ATOM 1434 O ASP A 94 -15.172 3.492 -1.810 1.00 0.00 O ATOM 1435 CB ASP A 94 -14.981 1.319 -3.866 1.00 0.00 C ATOM 1436 CG ASP A 94 -15.697 0.521 -4.939 1.00 0.00 C ATOM 1437 OD1 ASP A 94 -16.915 0.292 -4.793 1.00 0.00 O ATOM 1438 OD2 ASP A 94 -15.038 0.127 -5.923 1.00 0.00 O ATOM 0 H ASP A 94 -13.414 2.670 -5.406 1.00 0.00 H new ATOM 0 HA ASP A 94 -16.093 3.112 -4.291 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -13.936 1.012 -3.825 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -15.418 1.090 -2.894 1.00 0.00 H new ATOM 1443 N GLY A 95 -13.464 4.323 -3.016 1.00 0.00 N ATOM 1444 CA GLY A 95 -12.933 5.066 -1.883 1.00 0.00 C ATOM 1445 C GLY A 95 -12.232 4.183 -0.875 1.00 0.00 C ATOM 1446 O GLY A 95 -11.961 4.596 0.253 1.00 0.00 O ATOM 0 H GLY A 95 -12.937 4.423 -3.884 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -12.234 5.820 -2.245 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -13.747 5.596 -1.389 1.00 0.00 H new ATOM 1450 N LYS A 96 -11.941 2.971 -1.293 1.00 0.00 N ATOM 1451 CA LYS A 96 -11.284 1.984 -0.441 1.00 0.00 C ATOM 1452 C LYS A 96 -10.599 0.919 -1.298 1.00 0.00 C ATOM 1453 O LYS A 96 -11.027 0.648 -2.418 1.00 0.00 O ATOM 1454 CB LYS A 96 -12.302 1.296 0.505 1.00 0.00 C ATOM 1455 CG LYS A 96 -13.745 1.771 0.370 1.00 0.00 C ATOM 1456 CD LYS A 96 -14.062 2.860 1.380 1.00 0.00 C ATOM 1457 CE LYS A 96 -15.060 3.866 0.833 1.00 0.00 C ATOM 1458 NZ LYS A 96 -15.559 4.783 1.896 1.00 0.00 N ATOM 0 H LYS A 96 -12.150 2.634 -2.233 1.00 0.00 H new ATOM 0 HA LYS A 96 -10.541 2.507 0.161 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -12.273 0.222 0.323 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.980 1.454 1.534 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -13.914 2.147 -0.639 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -14.423 0.929 0.514 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -14.462 2.408 2.288 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -13.143 3.375 1.659 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.591 4.449 0.040 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -15.901 3.337 0.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -16.238 5.455 1.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -16.029 4.229 2.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -14.759 5.306 2.306 1.00 0.00 H new ATOM 1472 N ILE A 97 -9.538 0.314 -0.767 1.00 0.00 N ATOM 1473 CA ILE A 97 -8.825 -0.733 -1.493 1.00 0.00 C ATOM 1474 C ILE A 97 -9.174 -2.102 -0.922 1.00 0.00 C ATOM 1475 O ILE A 97 -8.812 -2.427 0.208 1.00 0.00 O ATOM 1476 CB ILE A 97 -7.285 -0.545 -1.448 1.00 0.00 C ATOM 1477 CG1 ILE A 97 -6.876 0.750 -2.155 1.00 0.00 C ATOM 1478 CG2 ILE A 97 -6.573 -1.737 -2.087 1.00 0.00 C ATOM 1479 CD1 ILE A 97 -5.375 0.902 -2.330 1.00 0.00 C ATOM 0 H ILE A 97 -9.157 0.529 0.154 1.00 0.00 H new ATOM 0 HA ILE A 97 -9.142 -0.664 -2.533 1.00 0.00 H new ATOM 0 HB ILE A 97 -6.987 -0.481 -0.402 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -7.352 0.785 -3.135 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.254 1.599 -1.586 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -5.495 -1.583 -2.044 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.831 -2.648 -1.546 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -6.885 -1.832 -3.127 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -5.161 1.842 -2.838 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.893 0.900 -1.353 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -4.992 0.073 -2.925 1.00 0.00 H new ATOM 1491 N GLY A 98 -9.880 -2.898 -1.713 1.00 0.00 N ATOM 1492 CA GLY A 98 -10.255 -4.227 -1.276 1.00 0.00 C ATOM 1493 C GLY A 98 -9.274 -5.268 -1.763 1.00 0.00 C ATOM 1494 O GLY A 98 -8.443 -4.986 -2.623 1.00 0.00 O ATOM 0 H GLY A 98 -10.199 -2.647 -2.649 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.304 -4.253 -0.187 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.253 -4.465 -1.646 1.00 0.00 H new ATOM 1498 N VAL A 99 -9.363 -6.475 -1.220 1.00 0.00 N ATOM 1499 CA VAL A 99 -8.464 -7.554 -1.619 1.00 0.00 C ATOM 1500 C VAL A 99 -8.371 -7.654 -3.141 1.00 0.00 C ATOM 1501 O VAL A 99 -7.300 -7.914 -3.691 1.00 0.00 O ATOM 1502 CB VAL A 99 -8.924 -8.911 -1.050 1.00 0.00 C ATOM 1503 CG1 VAL A 99 -10.244 -9.339 -1.673 1.00 0.00 C ATOM 1504 CG2 VAL A 99 -7.855 -9.971 -1.273 1.00 0.00 C ATOM 0 H VAL A 99 -10.044 -6.732 -0.506 1.00 0.00 H new ATOM 0 HA VAL A 99 -7.481 -7.316 -1.212 1.00 0.00 H new ATOM 0 HB VAL A 99 -9.078 -8.798 0.023 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -10.549 -10.299 -1.256 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -11.007 -8.591 -1.458 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -10.123 -9.434 -2.752 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -8.196 -10.923 -0.865 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.668 -10.080 -2.341 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -6.935 -9.671 -0.772 1.00 0.00 H new ATOM 1514 N GLU A 100 -9.499 -7.450 -3.814 1.00 0.00 N ATOM 1515 CA GLU A 100 -9.542 -7.514 -5.272 1.00 0.00 C ATOM 1516 C GLU A 100 -8.843 -6.309 -5.907 1.00 0.00 C ATOM 1517 O GLU A 100 -8.065 -6.464 -6.849 1.00 0.00 O ATOM 1518 CB GLU A 100 -10.985 -7.631 -5.773 1.00 0.00 C ATOM 1519 CG GLU A 100 -11.887 -6.512 -5.309 1.00 0.00 C ATOM 1520 CD GLU A 100 -11.775 -5.263 -6.161 1.00 0.00 C ATOM 1521 OE1 GLU A 100 -11.271 -5.363 -7.300 1.00 0.00 O ATOM 1522 OE2 GLU A 100 -12.192 -4.186 -5.687 1.00 0.00 O ATOM 0 H GLU A 100 -10.395 -7.239 -3.374 1.00 0.00 H new ATOM 0 HA GLU A 100 -9.001 -8.410 -5.577 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -10.980 -7.652 -6.863 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -11.400 -8.582 -5.437 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -12.920 -6.859 -5.318 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -11.644 -6.263 -4.276 1.00 0.00 H new ATOM 1529 N GLU A 101 -9.122 -5.112 -5.395 1.00 0.00 N ATOM 1530 CA GLU A 101 -8.509 -3.895 -5.912 1.00 0.00 C ATOM 1531 C GLU A 101 -7.055 -3.774 -5.461 1.00 0.00 C ATOM 1532 O GLU A 101 -6.254 -3.084 -6.093 1.00 0.00 O ATOM 1533 CB GLU A 101 -9.330 -2.673 -5.494 1.00 0.00 C ATOM 1534 CG GLU A 101 -10.437 -2.343 -6.486 1.00 0.00 C ATOM 1535 CD GLU A 101 -10.020 -1.325 -7.519 1.00 0.00 C ATOM 1536 OE1 GLU A 101 -8.905 -1.453 -8.062 1.00 0.00 O ATOM 1537 OE2 GLU A 101 -10.811 -0.403 -7.789 1.00 0.00 O ATOM 0 H GLU A 101 -9.770 -4.961 -4.622 1.00 0.00 H new ATOM 0 HA GLU A 101 -8.503 -3.945 -7.001 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.769 -2.853 -4.513 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.668 -1.812 -5.394 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.749 -3.257 -6.991 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -11.304 -1.967 -5.943 1.00 0.00 H new ATOM 1544 N PHE A 102 -6.711 -4.448 -4.363 1.00 0.00 N ATOM 1545 CA PHE A 102 -5.342 -4.416 -3.855 1.00 0.00 C ATOM 1546 C PHE A 102 -4.370 -4.776 -4.970 1.00 0.00 C ATOM 1547 O PHE A 102 -3.268 -4.235 -5.054 1.00 0.00 O ATOM 1548 CB PHE A 102 -5.166 -5.395 -2.693 1.00 0.00 C ATOM 1549 CG PHE A 102 -3.971 -5.096 -1.840 1.00 0.00 C ATOM 1550 CD1 PHE A 102 -2.743 -5.641 -2.151 1.00 0.00 C ATOM 1551 CD2 PHE A 102 -4.077 -4.270 -0.733 1.00 0.00 C ATOM 1552 CE1 PHE A 102 -1.630 -5.370 -1.374 1.00 0.00 C ATOM 1553 CE2 PHE A 102 -2.972 -3.994 0.050 1.00 0.00 C ATOM 1554 CZ PHE A 102 -1.746 -4.546 -0.271 1.00 0.00 C ATOM 0 H PHE A 102 -7.355 -5.017 -3.814 1.00 0.00 H new ATOM 0 HA PHE A 102 -5.136 -3.408 -3.495 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -6.061 -5.375 -2.072 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -5.076 -6.406 -3.090 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -2.649 -6.287 -3.011 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -5.033 -3.837 -0.479 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -0.673 -5.802 -1.629 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -3.066 -3.348 0.911 1.00 0.00 H new ATOM 0 HZ PHE A 102 -0.881 -4.334 0.339 1.00 0.00 H new ATOM 1564 N SER A 103 -4.791 -5.704 -5.821 1.00 0.00 N ATOM 1565 CA SER A 103 -3.978 -6.138 -6.947 1.00 0.00 C ATOM 1566 C SER A 103 -4.051 -5.113 -8.064 1.00 0.00 C ATOM 1567 O SER A 103 -3.107 -4.934 -8.831 1.00 0.00 O ATOM 1568 CB SER A 103 -4.461 -7.496 -7.458 1.00 0.00 C ATOM 1569 OG SER A 103 -4.560 -8.436 -6.403 1.00 0.00 O ATOM 0 H SER A 103 -5.695 -6.171 -5.751 1.00 0.00 H new ATOM 0 HA SER A 103 -2.944 -6.234 -6.615 1.00 0.00 H new ATOM 0 HB2 SER A 103 -5.433 -7.382 -7.939 1.00 0.00 H new ATOM 0 HB3 SER A 103 -3.772 -7.868 -8.216 1.00 0.00 H new ATOM 0 HG SER A 103 -4.872 -9.294 -6.758 1.00 0.00 H new ATOM 1575 N THR A 104 -5.187 -4.433 -8.145 1.00 0.00 N ATOM 1576 CA THR A 104 -5.400 -3.426 -9.165 1.00 0.00 C ATOM 1577 C THR A 104 -4.316 -2.346 -9.111 1.00 0.00 C ATOM 1578 O THR A 104 -3.741 -1.990 -10.141 1.00 0.00 O ATOM 1579 CB THR A 104 -6.795 -2.787 -9.026 1.00 0.00 C ATOM 1580 OG1 THR A 104 -7.810 -3.785 -9.185 1.00 0.00 O ATOM 1581 CG2 THR A 104 -6.994 -1.690 -10.052 1.00 0.00 C ATOM 0 H THR A 104 -5.976 -4.564 -7.512 1.00 0.00 H new ATOM 0 HA THR A 104 -5.341 -3.923 -10.134 1.00 0.00 H new ATOM 0 HB THR A 104 -6.869 -2.348 -8.031 1.00 0.00 H new ATOM 0 HG1 THR A 104 -8.656 -3.355 -9.428 1.00 0.00 H new ATOM 0 HG21 THR A 104 -7.986 -1.255 -9.932 1.00 0.00 H new ATOM 0 HG22 THR A 104 -6.240 -0.917 -9.909 1.00 0.00 H new ATOM 0 HG23 THR A 104 -6.899 -2.108 -11.054 1.00 0.00 H new ATOM 1589 N LEU A 105 -4.030 -1.830 -7.915 1.00 0.00 N ATOM 1590 CA LEU A 105 -3.006 -0.799 -7.772 1.00 0.00 C ATOM 1591 C LEU A 105 -1.619 -1.357 -8.090 1.00 0.00 C ATOM 1592 O LEU A 105 -0.710 -0.609 -8.439 1.00 0.00 O ATOM 1593 CB LEU A 105 -3.073 -0.125 -6.392 1.00 0.00 C ATOM 1594 CG LEU A 105 -1.927 -0.352 -5.429 1.00 0.00 C ATOM 1595 CD1 LEU A 105 -1.685 -1.831 -5.216 1.00 0.00 C ATOM 1596 CD2 LEU A 105 -0.697 0.366 -5.955 1.00 0.00 C ATOM 0 H LEU A 105 -4.486 -2.105 -7.045 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.207 -0.017 -8.504 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.167 0.949 -6.550 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.989 -0.457 -5.903 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.175 0.060 -4.451 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.857 -1.968 -4.520 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.584 -2.291 -4.805 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.440 -2.300 -6.169 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.136 0.210 -5.270 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.438 -0.029 -6.937 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.905 1.433 -6.036 1.00 0.00 H new ATOM 1608 N VAL A 106 -1.451 -2.670 -7.968 1.00 0.00 N ATOM 1609 CA VAL A 106 -0.164 -3.277 -8.273 1.00 0.00 C ATOM 1610 C VAL A 106 0.215 -2.945 -9.710 1.00 0.00 C ATOM 1611 O VAL A 106 1.392 -2.810 -10.045 1.00 0.00 O ATOM 1612 CB VAL A 106 -0.178 -4.808 -8.077 1.00 0.00 C ATOM 1613 CG1 VAL A 106 1.141 -5.425 -8.520 1.00 0.00 C ATOM 1614 CG2 VAL A 106 -0.469 -5.155 -6.625 1.00 0.00 C ATOM 0 H VAL A 106 -2.175 -3.322 -7.666 1.00 0.00 H new ATOM 0 HA VAL A 106 0.572 -2.870 -7.580 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.971 -5.223 -8.699 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.106 -6.504 -8.372 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.308 -5.209 -9.575 1.00 0.00 H new ATOM 0 HG13 VAL A 106 1.956 -5.004 -7.931 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -0.475 -6.238 -6.504 1.00 0.00 H new ATOM 0 HG22 VAL A 106 0.301 -4.723 -5.986 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -1.442 -4.753 -6.343 1.00 0.00 H new ATOM 1624 N ALA A 107 -0.806 -2.814 -10.552 1.00 0.00 N ATOM 1625 CA ALA A 107 -0.606 -2.469 -11.950 1.00 0.00 C ATOM 1626 C ALA A 107 -0.414 -0.964 -12.098 1.00 0.00 C ATOM 1627 O ALA A 107 0.308 -0.503 -12.982 1.00 0.00 O ATOM 1628 CB ALA A 107 -1.784 -2.946 -12.789 1.00 0.00 C ATOM 0 H ALA A 107 -1.782 -2.943 -10.286 1.00 0.00 H new ATOM 0 HA ALA A 107 0.293 -2.969 -12.309 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.619 -2.680 -13.833 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -1.879 -4.028 -12.701 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -2.699 -2.472 -12.434 1.00 0.00 H new ATOM 1634 N GLU A 108 -1.068 -0.205 -11.218 1.00 0.00 N ATOM 1635 CA GLU A 108 -0.967 1.250 -11.239 1.00 0.00 C ATOM 1636 C GLU A 108 0.486 1.686 -11.234 1.00 0.00 C ATOM 1637 O GLU A 108 1.011 2.160 -12.243 1.00 0.00 O ATOM 1638 CB GLU A 108 -1.681 1.858 -10.032 1.00 0.00 C ATOM 1639 CG GLU A 108 -3.188 1.875 -10.179 1.00 0.00 C ATOM 1640 CD GLU A 108 -3.682 3.058 -10.988 1.00 0.00 C ATOM 1641 OE1 GLU A 108 -3.015 3.419 -11.979 1.00 0.00 O ATOM 1642 OE2 GLU A 108 -4.736 3.625 -10.627 1.00 0.00 O ATOM 0 H GLU A 108 -1.672 -0.575 -10.484 1.00 0.00 H new ATOM 0 HA GLU A 108 -1.444 1.604 -12.153 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -1.416 1.293 -9.138 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -1.325 2.877 -9.883 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.513 0.951 -10.658 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -3.645 1.900 -9.190 1.00 0.00 H new ATOM 1649 N SER A 109 1.133 1.519 -10.087 1.00 0.00 N ATOM 1650 CA SER A 109 2.530 1.893 -9.942 1.00 0.00 C ATOM 1651 C SER A 109 3.403 1.114 -10.920 1.00 0.00 C ATOM 1652 O SER A 109 3.661 1.633 -12.026 1.00 0.00 O ATOM 1653 CB SER A 109 3.002 1.651 -8.510 1.00 0.00 C ATOM 1654 OG SER A 109 4.401 1.816 -8.416 1.00 0.00 O ATOM 1655 OXT SER A 109 3.818 -0.011 -10.573 1.00 0.00 O ATOM 0 H SER A 109 0.711 1.127 -9.245 1.00 0.00 H new ATOM 0 HA SER A 109 2.621 2.956 -10.167 1.00 0.00 H new ATOM 0 HB2 SER A 109 2.502 2.344 -7.834 1.00 0.00 H new ATOM 0 HB3 SER A 109 2.727 0.644 -8.195 1.00 0.00 H new ATOM 0 HG SER A 109 4.609 2.762 -8.265 1.00 0.00 H new TER 1661 SER A 109